#### Sample records for metals ii positron

1. Positron studies of defected metals, metallic surfaces

SciTech Connect

Bansil, A.

1991-01-01

Specific problems proposed under this project included the treatment of electronic structure and momentum density in various disordered and defected systems. Since 1987, when the new high-temperature superconductors were discovered, the project focused extensively on questions concerning the electronic structure and Fermiology of high-[Tc] superconductors, in particular, (i) momentum density and positron experiments, (ii) angle-resolved photoemission intensities, (iii) effects of disorder and substitutions in the high-[Tc]'s.

2. Defects in metals. [Positron annihilation spectroscopy

SciTech Connect

Siegel, R.W.

1982-06-01

The application of positron annihilation spectroscopy (PAS) to the study of defects in metals has led to increased knowledge on lattice-defect properties during the past decade in two areas: the determination of atomic defect properties, particularly those of monovacancies, and the monitoring and characterization of vacancy-like microstructure development during post-irradiation and post-quench annealing. The study of defects in metals by PAS is reviewed within the context of the other available techniques for defect studies. The strengths and weaknesses of PAS as a method for the characterization of defect microstructures are considered. The additional possibilities for using the positron as a localized probe of the atomic and electronic structures of atomic defects are discussed, based upon theoretical calculations of the annihilation characteristics of defect-trapped positrons and experimental observations. Finally, the present status and future potential of PAS as a tool for the study of defects in metals is considered. 71 references, 9 figures.

3. Positron-annihilation spectroscopy of defects in metals: an assessment

SciTech Connect

Siegel, R.W.

1982-06-01

Positron annihilation spectroscopy (PAS) has made significant contributions to our knowledge regarding lattice defects in metals in two areas: (i) the determination of atomic defect properties, particularly those of monovacancies, and (ii) the monitoring and characterization of vacancy-like microstructure development during post-irradiation of post-quench annealing. The application of PAS to the study of defects in metals is selectively reviewed and critically assessed within the context of other available techniques for such investigations. Possibilities for using the positron as a localized probe of the structure of atomic defects are discussed. Finally, the present status and future potential of PAS as a tool for the study of defects in metals are considered relative to other available techniques. 92 references, 20 figures.

4. Positron studies of metal-oxide-semiconductor structures

SciTech Connect

Au, H.L.; Asoka-Kumar, P.; Nielsen, B.; Lynn, K.G. )

1993-03-15

Positron annihilation spectroscopy provides a new probe to study the properties of interface traps in metal-oxide semiconductors (MOS). Using positrons, we have examined the behavior of the interface traps as a function of gate bias. We propose a simple model to explain the positron annihilation spectra from the interface region of a MOS capacitor.

5. On the localization of positrons in metal vacancies

Babich, A. V.; Pogosov, V. V.; Reva, V. I.

2015-11-01

The probability of localization of positrons in single vacancies of Al, Cu, and Zn as a function of temperature has been calculated. Vacancy has been simulated by a cavity with a radius of the Wigner-Seitz cell in the stabilized jellium model. A formula for the rate of trapping of a positron by a vacancy as a function of the positron energy has been obtained using the "golden" rule for transitions under the assumption that the positron energy is spent on excitation of electron-hole pairs. The temperature dependence of the localization rate has been calculated for thermalized positrons. It has been found that, in the vicinity of the triple point, the localization rate is close in order of magnitude to the annihilation rate. Based on the results reported in our previous publications devoted to the evaluation of the influence of vacancies on the work function of free positrons, it has been assumed that, near the surface of the metal, there are vacancies charged by positrons. In the approximation of a two-dimensional superlattice, the near-surface vacancy barrier has been estimated. The experimentally revealed shift of the energy distribution of re-emitted positrons has been assumed to be caused by the reflection of low-energy positrons from the vacancy barrier back into the bulk of the metal where they annihilate.

6. Monoenergetic positron beam at the reactor based positron source at FRM-II

Hugenschmidt, C.; Kögel, G.; Repper, R.; Schreckenbach, K.; Sperr, P.; Straßer, B.; Triftshäuser, W.

2002-05-01

The principle of the in-pile positron source at the Munich research reactor FRM-II is based on absorption of high energy prompt γ-rays from thermal neutron capture in 113Cd. For this purpose, a cadmium cap is placed inside the tip of the inclined beam tube SR-11 in the moderator tank of the reactor, where an undisturbed thermal neutron flux up to 2×10 14n cm-2 s-1 is expected. Inside the cadmium cap a structure of platinum foils is placed for converting high energy γ-radiation into positron-electron pairs. Due to the negative positron work function, moderation in annealed platinum leads to emission of monoenergetic positrons. Therefore, platinum will also be used as moderator, since its moderation property seems to yield long-term stability under reactor conditions and it is much easier to handle than tungsten. Model calculations were performed with SIMION-7.0w to optimise geometry and potential of Pt-foils and electrical lenses. It could be shown that the potentials between the Pt-foils must be chosen in the range of 1-10 V to extract moderated positrons. After successive acceleration to 5 keV by four electrical lenses the beam is magnetically guided in a solenoid field of 7.5 mT resulting in a beam diameter of about 25 mm. An intensity of about 10 10 slow positrons per second is expected in the primary positron beam. Outside of the reactor shield a W(1 0 0) single crystal remoderation stage will lead to an improvement of the positron beam brilliance before the positrons are guided to the experimental facilities.

7. Positron collisions with alkali-metal atoms

NASA Technical Reports Server (NTRS)

Gien, T. T.

1990-01-01

The total cross sections for positron and electron collisions with potassium, sodium, lithium and rubidium are calculated, employing the modified Glauber approximation. The Modified Glauber cross sections for positron collision with potassium and sodium at low intermediate energies are found to agree reasonably well with existing experimental data.

8. Positron annihilation study on hafnium metals given various treatments

SciTech Connect

Min, Duck Ki; Kang, Myung Soo ); Yoon, Young Ku )

1993-08-01

The positron annihilation technique that enables measurements of positron lifetime, two-photon angular correlation and Doppler broadening due to annihilation radiation has been established for studies of the electronic configuration and defect properties in solids. In metals, positrons can be trapped at vacancies and their agglomerates as well as at dislocations, but not at interstitials. Because of these interactions, the positron annihilation method can be applied to studies of the behavior of dislocations during annealing of plastically deformed metals. Furthermore, it is possible by measurements of annihilation characteristics to identify defects such as vacancies, dislocations and vacancy-clusters, and to determine spatial dimensions of defects. In this work, positron annihilation measurements for annealed, cold worked, annealed and then quenched, and cold worked and then cathodically hydrogen charged hafnium specimens were made to obtain information on (a) positron annihilation characteristics of hafnium metal, (b) role of vacancy-type defects on hydrogen charging, (c) defects produced during hydrogen charging and (d) recovery of lattice defects in hafnium and effects of hydrogen on defects recovery upon annealing.

9. Liquid Metal Target for NLC Positron Source

SciTech Connect

Sheppard, John C.

2002-08-19

Possibility of creating the liquid lead target with parameters, optimum for the NLC positron source, is investigated. Target has a form of titanium vessel, filled with liquid lead, pumped through. The energy deposition in target is characterized by 35 kW average power and up to 250 J/g specific energy at optimum beam sigma 0.6 mm. The use of pumped through liquid lead as target material solves both the problems of power evacuation and target survival. The window for beam exit is made of both temperature and pressure resistive material--the diamond-like ceramic BN.

10. Annihilation of positrons trapped at the alkali-metal-covered transition-metal surface

SciTech Connect

Fazleev, N.G.; Fry, J.L.; Kuttler, K.H.; Koymen, A.R.; Weiss, A.H.

1995-08-15

Recent studies of the Cu(100) surface covered with submonolayers of Cs revealed that the normalized intensity of the positron-annihilation-induced Cu {ital M}{sub 2,3}{ital VV} Auger signal remains nearly constant at the clean Cu(100) surface value until the Cs coverage reaches approximately 0.7 physical monolayer, at which coverage the signal intensity drops precipitously. We present a microscopic analysis of this unusual behavior of the Cu {ital M}{sub 2,3}{ital VV} Auger signal based on a treatment of a positron as a single charged particle trapped in a correlation well in the proximity of the surface atoms. The image-potential-induced positron surface states are calculated using the corrugated-mirror model in a full three-dimensional geometry. These states are studied for the clean Cu(100) surface and for various ordered structures of the Cs adsorbate on the Cu(100) surface below and above the critical alkali-metal coverage of approximately 0.7 physical monolayer. Calculations show that whereas the positron surface state is localized in the region of the Cs/Cu(100) interface for Cs coverages below the critical alkali-metal coverage, at a Cs coverage corresponding to one physical monolayer the positron surface state is localized on the vacuum side of the Cs overlayer. The probabilities for a positron trapped in a surface state to annihilate with relevant Cu and Cs core-level electrons as well as the positron surface-state lifetimes are computed for various alkali-metal structures on the Cu(100) surface and compared with experimental positron-annihilation-induced Auger-electron-spectroscopy data. It is shown that a shift in localization of the positron surface state from the Cs/Cu(100) interface to the vacuum side of the alkali-metal overlayer results in a sharp decrease in the positron-annihilation probabilities with Cu 3{ital s} and 3{ital p} core-level electrons, in agreement with experiment.

11. Computational Study of Positron-Monovacancy Interaction in d-Block Metals

Ishibashi, Shoji

2015-08-01

The positron-monovacancy interaction in d-block metals (except for Mn, Tc, and Hg) has been studied by the two-component density-functional-theory formalism [E. Boroński and R. M. Nieminen, http://dx.doi.org/10.1103/PhysRevB.34.3820, Phys. Rev. B 34, 3820 (1986)]. On the unrelaxed structure, the positron lifetime calculated with the presence of a positron is generally longer than that obtained neglecting the positron effect. When the atomic positions are relaxed, the difference is widened, especially for the group V metals. The inward relaxation of the atoms surrounding the monovacancy is suppressed when the positron effect is taken into account. The difference in the positron lifetime can be also related to the bulk modulus and the cohesive energy.

12. Infrared, Raman, 1H NMR, thermal and positron annihilation lifetime studies of Pb(II), Sn(II), Sb(III), Bi(III)-barbital complexes

Refat, Moamen S.; Sharshar, T.

2012-05-01

Metal complexes of Pb(II), Sn(II), Sb(III) and Bi(III) with a barbital sodium were synthesized and characterized by several techniques, including elemental analysis (C, H and N), molar conductance measurements, infrared, Raman, 1H NMR, positron annihilation lifetime and thermogravimetric analysis. Reactions of barbital sodium (NaL) with salts of Pb(NO3)2, SnCl2ṡ2H2O, SbCl3 and BiCl3 affords four novel mononuclear complexes [Pb(HL)2], [Sn(L)(H2O)], [Sb(HL)(L)] and [Bi(HL)(L)]. In complexes of Pb(II), Sb(III) and Bi(III), the molar ratio of metal-to-ligand is 1:2. Both of Sb(III) and Bi(III) complexes have six coordination via two molecules of barbital (HL and L), one of them deprotonated NH. The Pb(II) complex has a central metal ion adopts tetradentate fashion which surrounded by two (HL) barbital moieties. The elemental analysis shows that Sn(II) complex is tetradentate 1:1 ratio, chelated through oxygen sbnd O of (ONa), deprotonated (sbnd NH) and one coordinated water molecule. The positron annihilation lifetime parameters were found to be dependent on the structure, electronic configuration and molecular weight of metal complexes.

13. Centroid shift of. gamma. rays from positron annihilation in the depletion region of metal-oxide-semiconductor structures

SciTech Connect

Leung, T.C.; Kong, Y.; Lynn, K.G.; Nielsen, B. ); Weinberg, Z.A.; Rubloff, G.W. )

1991-01-07

Using metal-oxide-semiconductor (MOS) structures, the shift of centroid (peak) of {gamma}-ray energy distributions emitted from positron annihilation has been measured as a function of incident positron energy. The Doppler centroid shift was found to be consistent with the positron motion in the MOS depletion region. The results are described by a one-dimensional positron diffusion model, and provide information on effective'' positron diffusion length under applied field.

14. Positron studies of defected metals, metallic surfaces. Final report, July 1, 1985--December 1, 1991

SciTech Connect

Bansil, A.

1991-12-31

Specific problems proposed under this project included the treatment of electronic structure and momentum density in various disordered and defected systems. Since 1987, when the new high-temperature superconductors were discovered, the project focused extensively on questions concerning the electronic structure and Fermiology of high-{Tc} superconductors, in particular, (i) momentum density and positron experiments, (ii) angle-resolved photoemission intensities, (iii) effects of disorder and substitutions in the high-{Tc}s.

15. Effect of metal ions on positron annihilation characteristics in metal ion containing epoxies

NASA Technical Reports Server (NTRS)

Singh, J. J.; St. Clair, A. K.; Stoakley, D. M.; Holt, W. H.; Mock, W., Jr.

1984-01-01

In the course of developing improved moisture-resistant epoxy resins, two different types of epoxy resins containing variable mole ratios of chromium ions per polymer repeat unit were developed. Positron annihilation characteristics have been investigated in these resins as a function of their metal ion content. In both cases, the presence of metal ions reduces the lifetime as well as the intensity of the long life component. The long life component intensity reduction is considerably more pronounced than the lifetime reduction. These results have been discussed in terms of increased unpaired electron density at Ps formation sites due to the presence of chromium ions in the matrix.

16. Ultra Fine-Grained Metals Prepared by Severe Plastic Deformation: A Positron Annihilation Study

Čížek, J.; Procházka, I.; Kužel, R.; Matĕj, Z.; Cherkaska, V.; Cieslar, M.; Smola, B.; Stulíková, I.; Brauer, G.; Anwand, W.; Islamgaliev, R. K.; Kulyasova, O.

2005-05-01

Recent investigations of ultra fine-grained metals (Cu, Fe, Ni) performed within a Prague-Rossendorf-Ufa collaboration will be reviewed. The specimens were prepared by severe plastic deformation: the high-pressure torsion and equal channel angular pressing. Positron annihilation spectroscopy was used as the main method including (i) the conventional lifetime and the Doppler broadening measurements with 22Na and (ii) the slow-positron implantation spectroscopy with the Doppler broadening measurement. Other methods were also involved: transmission electron microscopy, X-ray diffraction, and microhardness. First, the mean grain size was determined and defects were identified in the as-deformed materials. Defects concentration and spatial distribution were studied in detail. Dislocations situated in distorted regions along grain boundaries, and a few-vacancy clusters distributed homogeneously inside dislocations-free grains, were observed in the ultra fine-grained Cu, Fe, and Ni. Subsequently, the thermal evolution of the ultra fine-grained structures during isochronal annealing was studied.

17. Probing of Unembedded Metallic Quantum Dots with Positrons

SciTech Connect

Fischer, C G; Denison, A B; Weber, M H; Wilcoxon, J P; Woessner, S; Lynn, K G

2003-08-01

We employed the two detector coincident Doppler Broadening Technique (coPAS) to investigate Ag, Au and Ag/Au alloy quantum dots of varying sizes which were deposited in thin layers on glass slides. The Ag quantum dots range from 2 to 3 nm in diameter, while the Ag/Au alloy quantum dots exhibit Ag cores of 2 nm and 3 nm and Au shells of varying thickness. We investigate the possibility of positron confinement in the Ag core due to positron affinity differences between Ag and Au. We describe the results and their significance to resolving the issue of whether positrons annihilate within the quantum dot itself or whether surface and positron escape effects play an important role.

18. Study of SiO[sub 2]-Si and metal-oxide-semiconductor structures using positrons

SciTech Connect

Leung, T.C.; Asoka-Kumar, P.; Nielsen, B.; Lynn, K.G. )

1993-01-01

Studies of SiO[sub 2]-Si and metal-oxide-semiconductor (MOS) structures using positrons are summarized and a concise picture of the present understanding of positrons in these systems is provided. Positron annihilation line-shape [ital S] data are presented as a function of the positron incident energy, gate voltage, and annealing, and are described with a diffusion-annihilation equation for positrons. The data are compared with electrical measurements. Distinct annihilation characteristics were observed at the SiO[sub 2]-Si interface and have been studied as a function of bias voltage and annealing conditions. The shift of the centroid (peak) of [gamma]-ray energy distributions in the depletion region of the MOS structures was studied as a function of positron energy and gate voltage, and the shifts are explained by the corresponding variations in the strength of the electric field and thickness of the depletion layer. The potential role of the positron annihilation technique as a noncontact, nondestructive, and depth-sensitive characterization tool for the technologically important, deeply buried interface is shown.

19. Development of a method to study positron diffusion in metals by the observation of positronium negative ions

Suzuki, Takuji; Terabe, Hiroki; Iida, Shimpei; Yamashita, Takashi; Nagashima, Yasuyuki

2014-09-01

We have developed a new method to study positron diffusion in metals. In this method, we observe positronium negative ions emitted from the sample surfaces after coating with alkali-metals to evaluate the yields of the positrons which return to the surfaces. γ-rays from the ions accelerated using an electric field are clearly distinguished from those emitted from pair-annihilation of positrons in the bulk or on the surface and self-annihilation of emitted positronium atoms. Reliable studies on positron diffusion in metals have been enabled by this method.

20. The slowing down times of positrons emitted from selected β+ isotopes into metals

Dryzek, Jerzy; Horodek, Paweł; Siemek, Krzysztof

2012-11-01

We report the GEANT4 Monte Carlo simulations and the approximated calculations of the slowing down time (SDT) for positrons emitted from three β+ isotopes, i.e., 22Na, 68Ge/68Ga and 48V. The first two isotopes are commonly used in the positron annihilation spectroscopy. The results revealed that the SDT exhibits the nonsymmetrical distribution and its average value depends on the end point energy of the isotope, the density and atomic number of the implanted material. For metals the average SDT varies from 0.4 ps to a few ps. We argue that this can affect the analysis of the measured positron lifetime and should be considered in theoretical calculations. The SDT in selected gases was simulated as well and in this case its average values are about four orders higher than in metals.

1. Spectroscopic, Elemental and Thermal Analysis, and Positron Annihilation Studies on Ca(II), Sr(II), Ba(II), Pb(II), and Fe(III) Penicillin G Potassium Complexes

Refat, M. S.; Sharshara, T.

2015-11-01

The [Pb(Pin)2] · 3H2O, [M(Pin)(H2O)2(Cl)] · nH2O (M = SrII, CaII or BaII; n = 0-1), and [Fe(Pin)2(Cl)(H2O)] · H2O penicillin G potassium (Pin) complexes were synthesized and characterized using elemental analyses, molar conductivity, thermal analysis and electronic spectroscopy techniques. The positron annihilation lifetime (PAL) and Doppler broadening (DB) techniques have been employed to probe the defects and structural changes of Pin ligand and its complexes. The PAL and DB line-shape parameters were discussed in terms of the structure, molecular weight, ligand-metal molar ratio, and other properties of the Pin complexes.

2. Positron annihilation studies in the field induced depletion regions of metal-oxide-semiconductor structures

SciTech Connect

Asoka-Kumar, P.; Leung, T.C.; Lynn, K.G.; Nielsen, B.; Forcier, M.P. ); Weinberg, Z.A.; Rubloff, G.W. )

1992-06-01

The centroid shifts of positron annihilation spectra are reported from the depletion regions of metal-oxide-semiconductor (MOS) capacitors at room temperature and at 35 K. The centroid shift measurement can be explained using the variation of the electric field strength and depletion layer thickness as a function of the applied gate bias. An estimate for the relevant MOS quantities is obtained by fitting the centroid shift versus beam energy data with a steady-state diffusion-annihilation equation and a derivative-gaussian positron implantation profile. Inadequacy of the present analysis scheme is evident from the derived quantities and alternate methods are required for better predictions.

3. Positron binding to alkali-metal hydrides: The role of molecular vibrations

SciTech Connect

Gianturco, Franco A.; Franz, Jan; Buenker, Robert J.; Liebermann, Heinz-Peter; Pichl, Lukas; Rost, Jan-Michael; Tachikawa, Masanori; Kimura, Mineo

2006-02-15

The bound vibrational levels for J=0 have been computed for the series of alkali-metal hydride molecules from LiH to RbH, including NaH and KH. For all four molecules the corresponding potential-energy curves have been obtained for each isolated species and for its positron-bound complex (e{sup +}XH). It is found that the calculated positron affinity values strongly depend on the molecular vibrational state for which they are obtained and invariably increase as the molecular vibrational energy content increases. The consequences of our findings on the likelihood of possibly detecting such weakly bound species are briefly discussed.

4. Free volumes in bulk nanocrystalline metals studied by the complementary techniques of positron annihilation and dilatometry

Würschum, Roland; Oberdorfer, Bernd; Steyskal, Eva-Maria; Sprengel, Wolfgang; Puff, Werner; Pikart, Philip; Hugenschmidt, Christoph; Pippan, Reinhard

2012-07-01

Free-volume type defects, such as vacancies, vacancy-agglomerates, dislocations, and grain boundaries represent a key parameter in the properties of ultrafine-grained and nanocrystalline materials. Such free-volume type defects are introduced in high excess concentration during the processes of structural refinement by severe plastic deformation. The direct method of time-differential dilatometry is applied in the present work to determine the total amount and the kinetics of free volume by measuring the irreversible length change upon annealing of bulk nanocrystalline metals (Fe, Cu, Ni) prepared by high-pressure torsion (HPT). In the case of HPT-deformed Ni and Cu, distinct substages of the length change upon linear heating occur due to the loss of grain boundaries in the wake of crystallite growth. The data on dilatometric length change can be directly related to the fast annealing of free-volume type defects studied by in situ Doppler broadening measurements performed at the high-intensity positron beam of the FRM II (Garching, Munich, Germany).

5. Free volumes in bulk nanocrystalline metals studied by the complementary techniques of positron annihilation and dilatometry.

PubMed

Würschum, Roland; Oberdorfer, Bernd; Steyskal, Eva-Maria; Sprengel, Wolfgang; Puff, Werner; Pikart, Philip; Hugenschmidt, Christoph; Pippan, Reinhard

2012-07-15

Free-volume type defects, such as vacancies, vacancy-agglomerates, dislocations, and grain boundaries represent a key parameter in the properties of ultrafine-grained and nanocrystalline materials. Such free-volume type defects are introduced in high excess concentration during the processes of structural refinement by severe plastic deformation. The direct method of time-differential dilatometry is applied in the present work to determine the total amount and the kinetics of free volume by measuring the irreversible length change upon annealing of bulk nanocrystalline metals (Fe, Cu, Ni) prepared by high-pressure torsion (HPT). In the case of HPT-deformed Ni and Cu, distinct substages of the length change upon linear heating occur due to the loss of grain boundaries in the wake of crystallite growth. The data on dilatometric length change can be directly related to the fast annealing of free-volume type defects studied by in situ Doppler broadening measurements performed at the high-intensity positron beam of the FRM II (Garching, Munich, Germany).

6. Annihilation momentum density of positrons trapped at vacancy-type defects in metals and alloys

SciTech Connect

Bansil, A.; Prasad, R.; Benedek, R.

1988-01-01

Positron annihilation, especially the angular correlation of annihilation radiation, is a powerful tool for investigating the electronic spectra of ordered as well as defected materials. The tendency of positrons to trap at vacancy-type defects should enable this technique to study the local environment of such defects. However, we need to develop a theoretical basis for calculating the two-photon annihilation momentum density rho/sub 2gamma/(p-vector). We have recently formulated and implemented a theory of rho/sub 2gamma/(p-vector) from vacancy-type defects in metals and alloys. This article gives an outline of our approach together with a few of our results. Section 2 summarizes the basic equations for evaluating rho/sub 2gamma/(p-vector). Our Green's function-based approach is nonperturbative and employs a realistic (one-particle) muffin-tin Hamiltonian for treating electrons and positrons. Section 3 presents and discusses rho/sub 2gamma/(p-vector) results for a mono-vacancy in Cu. We have neglected the effects of electron-positron correlations and of lattice distortion around the vacancy. Section 4 comments briefly on the question of treating defects such as divacancies and metal-impurity complexes in metals and alloys. Finally, in Section 5, we remark on the form of rho/sub 2gamma/(p-vector) for a mono-vacancy in jellium. 2 figs.

7. Positron annihilation studies of zirconia doped with metal cations of different valence

Prochazka, I.; Cizek, J.; Melikhova, O.; Konstantinova, T. E.; Danilenko, I. A.; Yashchishyn, I. A.; Anwand, W.; Brauer, G.

2013-06-01

New results obtained by applying positron annihilation spectroscopy to the investigation of zirconia-based nanomaterials doped with metal cations of different valence are reported. The slow-positron implantation spectroscopy combined with Doppler broadening measurements was employed to study the sintering of pressure-compacted nanopowders of tetragonal yttria-stabilised zirconia (t-YSZ) and t-YSZ with chromia additive. Positronium (Ps) formation in t-YSZ was proven by detecting 3γ-annihilations of ortho-Ps and was found to gradually decrease with increasing sintering temperature. A subsurface layer with enhanced 3γ-annihilations, compared to the deeper regions, could be identified. Addition of chromia was found to inhibit Ps formation. In addition, first results of positron lifetime measurements on nanopowders of zirconia phase-stabilised with MgO and CeO2 are presented.

8. Online beam energy measurement of Beijing electron positron collider II linear accelerator

Wang, S.; Iqbal, M.; Liu, R.; Chi, Y.

2016-02-01

This paper describes online beam energy measurement of Beijing Electron Positron Collider upgraded version II linear accelerator (linac) adequately. It presents the calculation formula, gives the error analysis in detail, discusses the realization in practice, and makes some verification. The method mentioned here measures the beam energy by acquiring the horizontal beam position with three beam position monitors (BPMs), which eliminates the effect of orbit fluctuation, and is much better than the one using the single BPM. The error analysis indicates that this online measurement has further potential usage such as a part of beam energy feedback system. The reliability of this method is also discussed and demonstrated in this paper.

9. Insight into the electron-positron correlations in metals through the looking glass

Rubaszek, Anna

2016-05-01

A semi-empirical analysis of the positron annihilation experimental spectra indicates for a strong sensitivity of the two-particle electron-positron (e-p) enhancement factor to the l=s, p, d, f character of the initial electronic state [1,2]. The essential discrepancy between the models consists in the dependence of the relevant correlation functions on the energy of the annihilating electron. The present contribution contains a theoretical study of the e-p enhancement factors for s, p, d and f states as a function of the electron energy. The slope of the resulting characteristics is directly related to the degree of localisation of the s, p, d and f electrons in the electron density of states. This effect occurs especially for d electrons in transition metals, in favour to the approach of Ref. [1]. The energy dependence of the two-particle correlation functions is also a source of controversy between various theoretical approaches. The energy dependent enhancement factors describe properly the positron interaction with delocalised s and p electrons, but this approach overestimates the high momentum components of the e-p momentum densities, dominated by the localised d and f states. On the contrary, the calculations that employ the energy averaged enhancement factors match better with experiment for localised d and f electrons, but they hardly reproduce experimental spectra for nearly-free electron populations. An attempt to visit two sides of the looking glass is made in the theory of the present work. The model combines the properties of both approaches. The resulting e-p momentum densities and enhancement factors are in good agreement with the experimental data for simple, noble and transition metals, both in the low and high momentum region.

10. Performance study of whole-body, multislice positron computed tomograph: POSITOLOGICA-II

SciTech Connect

Takami, K.; Murayama, H.; Nohara, N.; Okajima, K.; Tanaka, E.; Tomitani, T.; Veda, K.; Yamamoto, M.

1983-02-01

A 3-detector ring, 5-slice whole-body positron CT has been developed and is being tested. The PCT, POSITOLOGICA-II, has a total of 480 BGO's (160/ring), and employs continuous rotation scan (0.5rps). By using a 15mm wide BGO, a 9.2mm FWHM spatial resolution for reconstructed image is obtained at the center of FOV. Measured phantom diameter dependence of the true count rate shows good agreement with theoretically anticipated characteristics, including maximum sensitivity at around 30cm dia. Sensitivities for 20cm dia. phantom are 28 and 38 kcps/..mu..Ci/ml for in-plane and cross-plane, respectively, including scattered coincidences. Relative system detection efficiency measured with a line source at FOV center is 96% at 15ns time window (90% at 12ns), basing on 100% efficiency in 2024ns.

11. Ab initio quantum Monte Carlo study of the binding of a positron to alkali-metal hydrides.

PubMed

Kita, Yukiumi; Maezono, Ryo; Tachikawa, Masanori; Towler, Mike D; Needs, Richard J

2011-08-07

Quantum Monte Carlo methods are used to investigate the binding of a positron to the alkali-metal hydrides, XH (X = Na and K). We obtain positron affinities for the NaH and KH molecules of 1.422(10) eV and 2.051(39) eV, respectively. These are considerably larger than the previous results of 1.035 eV and 1.273 eV obtained from multireference single- and double-excitation configuration interaction calculations. Together with our previous results for [LiH;e(+)] [Y. Kita et al., J. Chem. Phys. 131, 134310 (2009)], our study confirms the strong correlation between the positron affinity and dipole moment of alkali-metal hydrides.

12. Current-induced spin polarization on metal surfaces probed by spin-polarized positron beam.

PubMed

Zhang, H J; Yamamoto, S; Fukaya, Y; Maekawa, M; Li, H; Kawasuso, A; Seki, T; Saitoh, E; Takanashi, K

2014-04-29

Current-induced spin polarization (CISP) on the outermost surfaces of Au, Cu, Pt, Pd, Ta, and W nanoscaled films were studied using a spin-polarized positron beam. The Au and Cu surfaces showed no significant CISP. In contrast, the Pt, Pd, Ta, and W films exhibited large CISP (3~15% per input charge current of 10(5) A/cm(2)) and the CISP of Ta and W were opposite to those of Pt and Pd. The sign of the CISP obeys the same rule in spin Hall effect suggesting that the spin-orbit coupling is mainly responsible for the CISP. The magnitude of the CISP is explained by the Rashba-Edelstein mechanism rather than the diffusive spin Hall effect. This settles a controversy, that which of these two mechanisms dominates the large CISP on metal surfaces.

13. The beam energy feedback system for Beijing electron positron collider II linac.

PubMed

Wang, S; Iqbal, M; Chi, Y; Liu, R; Huang, X

2017-03-01

A beam-energy feedback system has been developed for the injection linac to meet the beam quality needed for the Beijing electron positron collider II storage ring. This paper describes the implementation and commissioning of this system in detail. The system consists of an energy measurement unit, application software, and an actuator unit. A non-intersecting beam energy monitor was developed to allow real-time online energy adjustment. The beam energy adjustment is achieved by adjusting the output microwave phase of the RF power source station. The phase control mechanism has also been modified, and a new control method taking the return difference of the phase shifter into account is used to improve the system's performance. This system achieves the design aim and can adjust the beam center energy with a rate of 2 Hz. With the energy feedback system, the stability of the injection rate is better; the fluctuation range is reduced from 20 mA/min to 10 mA/min, while the stability of the beam center energy is maintained within ±0.1%.

14. The electron-cloud instability in the arcs of the PEP-II positron ring

SciTech Connect

Furman, Miguel A.; Lambertson, Glen R.

1998-03-01

We have applied our simulation code ''POSINST'' to evaluate, in linear approximation, the contribution to the growth rate of the electron-cloud instability (ECI) from the pumping sections and the dipole bending magnets in the arcs of the PEP-II positron ring. A key ingredient in our model is a detailed description of the secondary emission process off the TiN-coated chambers. Another important element is the analytic computation of the electric field produced by the beam, including the effects from surface charges. Space-charge forces of the electron cloud upon itself are also included, although these forces are negligible under nominal conditions. Bunch-length effects are optionally included by slicing the bunch into several kicks. We conclude that the growth rate is dominated by the pumping sections and scales linearly with the photoelectric yield Y'. For Y' = 1, our present estimate is in the range {approx} 1000-1300 s{sup -1}, depending upon the value of the photon reflectivity R. This is in the range controllable by the transverse feedback system. The contributions to the growth rate from other magnets and from other sections of the ring remain to be evaluated.

15. Study of Si/Si, Si/SiO sub 2 , and metal-oxide-semiconductor (MOS) using positrons

SciTech Connect

Leung, To Chi.

1991-01-01

A variable-energy positron beam is used to study Si/Si, Si/SiO{sub 2}, and metal-oxide-semiconductor (MOS) structures. The capability of depth resolution and the remarkable sensitivity to defects have made the positron annihilation technique a unique tool in detecting open-volume defects in the newly innovated low temperature (300C) molecular-beam-epitaxy (MBE) Si/Si. These two features of the positron beam have further shown its potential role in the study of the Si/SiO{sub 2}. Distinct annihilation characteristics has been observed at the interface and has been studied as a function of the sample growth conditions, annealing (in vacuum), and hydrogen exposure. The MOS structure provides an effective way to study the electrical properties of the Si/SiO{sub 2} interface as a function of applied bias voltage. The annihilation characteristics show a large change as the device condition is changed from accumulation to inversion. The effect of forming gas (FG) anneal is studied using positron annihilation and the result is compared with capacitance-voltage (C-V) measurements. The reduction in the number of interface states is found correlated with the changes in the positron spectra. The present study shows the importance of the positron annihilation technique as a non-contact, non-destructive, and depth-sensitive characterization tool to study the Si-related systems, in particular, the Si/SiO{sub 2} interface which is of crucial importance in semiconductor technology, and fundamental understanding of the defects responsible for degradation of the electrical properties.

16. Evaluation of copper-labeled Cu(II) bis(thiosemicarbazone) complexes as blood flow tracers for positron emission tomography

SciTech Connect

Bott, A.J.

1990-01-01

Positron emmision tomography (PET) is an imaging technique not widely available for clinical diagnosis due to the costs of producing positron-emitting radiolabels. The development of radiotracers labeled with generator-produced positron emitters would facilitate the use of PET by eliminating the need for an in-house cyclotron. Copper-62 is a generator-produced positron emitter potentially useful for labeling PET radiopharmaceuticals. Copper-62 labeled Cu(II) pyruvaldehyde bis(N[sup 4]-methylthiosemicarbazone), Cu(PTSM), is a proposed PET perfusion tracer of the brain, heart, and kidneys. After IV injection in animals, copper-labeled Cu(PTSM) affords high initial uptake followed by prolonged retention of radiocopper in these organs. This retention is thought to be a result of reductive decomposition of the copper-labeled copper(II) complex by intracellular glutathione, GSH. To validate copper-62 labeled Cu(PTSM) as a myocardial and renal perfusion tracer, the regional radiocopper level afforded by intravenous copper-67 labeled Cu(PTSM) was compared to the absolute blood flow measured with labeled microspheres in normal dog kidneys and surgically infarcted myocardia. In the heart and randomly sectioned kidneys, an excellent correlation resulted. In kidneys dissected to separate anatomical regions, radiocopper levels increased montonically with increasing blood flows for individual dogs, but a linear correlation was observed when data from 12 animals was combined. Should the distribution of Cu(PTSM) vary with naturally occuring GSH fluctuations, the clinical utility of this radiotracer would be limited. Therefore, to validate further copper-62 labeled Cu(PTSM), the biodistribution of copper-67 labeled (PTSM) was determined in GSH-depleted rats. Relatively large GSH reductions in the experimental animals caused only slight changes in the distribution of Cu(PTSM). Another 23 copper-67 labeled compounds were tested.

17. Study of PRIMAVERA steel samples by positron annihilation spectroscopy technique II - Lifetime measurements

Krsjak, V.; Grafutin, V.; Ilyukhina, O.; Burcl, R.; Ballesteros, A.; Hähner, P.

2012-02-01

In the present article, a positron annihilation lifetime technique was used for the study of VVER-440/230 weld materials, manufactured in the frame of the international PRIMAVERA project on microstructural investigation of the irradiated WWER-440 reactor pressure vessel steel. The present results complement our previous report of positron angular correlation experiments and provide in-depth characterization of vacancy type defects behavior under irradiation and thermal treatment. The results give new insight into the previously published atom probe tomography and angular correlation of annihilation radiation studies. The measurements do not show any association of phosphorus or its segregation to the open volume defects investigated by positron annihilation spectroscopy. The embrittlement effects related to the phosphorus seem to be effectively annealed-out during 475 °C thermal treatment and the post annealing microstructure and mechanical properties of the material are consequently affected mostly by agglomerations of vacancy clusters coarsened during thermal treatment.

18. To the problem of positron states in metal-insulator nanosandwiches

Babich, A. V.; Vakula, P. V.; Pogosov, V. V.

2015-01-01

The potential profiles, wave functions, energies of surface subbands, and lifetimes of positrons in aluminum nanofilms bordering insulators (solid inert gases and SiO2) have been calculated self-consistently in the previously proposed models. The size effects and the influence of the effective masses of electrons and positrons on the energy and annihilation characteristics in systems with double potential wells formed by image potentials have been investigated. The possibility of localizing a positronium atom in nanosandwiches has been discussed.

19. Large-dimension configuration-interaction calculations of positron binding to the group-II atoms

SciTech Connect

Bromley, M. W. J.; Mitroy, J.

2006-03-15

The configuration-interaction (CI) method is applied to the calculation of the structures of a number of positron binding systems, including e{sup +}Be, e{sup +}Mg, e{sup +}Ca, and e{sup +}Sr. These calculations were carried out in orbital spaces containing about 200 electron and 200 positron orbitals up to l=12. Despite the very large dimensions, the binding energy and annihilation rate converge slowly with l, and the final values do contain an appreciable correction obtained by extrapolating the calculation to the l{yields}{infinity} limit. The binding energies were 0.00317 hartree for e{sup +}Be, 0.0170 hartree for e{sup +}Mg, 0.0189 hartree for e{sup +}Ca, and 0.0131 hartree for e{sup +}Sr.

20. Calculations of the Probability of Positron Trapping by a Vacancy in a Metal and the Estimation of the Vacancy Contribution to the Work Function of Electrons and Positrons

Babich, A. V.; Pogosov, V. V.; Reva, V. I.

2016-03-01

The probabilities of the localization of positrons in monovacancies of Al and Cu have been calculated as functions of the energy and temperature. The vacancy was simulated by a void with a radius equal to the radius of the Wigner—Seitz cell in the model of stable jellium. Using the Fermi—Dirac golden rule for transitions, the formula for the rate of positron trapping by a vacancy has been derived as the function of the positron energy. For the thermalized positrons, the rate of localization near the triple point proved to be, on the order of magnitude, close to the rate of annihilation. Within the framework of our previously proposed models, the contribution of vacancies to the work function of electrons and positrons has been demonstrated based on the example of Al. The physical situations where the vacancy effect can manifest have been considered.

1. CHARACTERIZATION OF PLASTICALLY-INDUCED STRUCTURAL CHANGES IN A Zr-BASED BULK METALLIC GLASS USING POSITRON ANNIHILATION SPECTROCOPY

SciTech Connect

Flores, K M; Kanungo, B P; Glade, S C; Asoka-Kumar, P

2005-09-16

Flow in metallic glasses is associated with stress-induced cooperative rearrangements of small groups of atoms involving the surrounding free volume. Understanding the details of these rearrangements therefore requires knowledge of the amount and distribution of the free volume and how that distribution evolves with deformation. The present study employs positron annihilation spectroscopy to investigate the free volume change in Zr{sub 58.5}Cu{sub 15.6}Ni{sub 12.8}Al{sub 10.3}Nb{sub 2.8} bulk metallic glass after inhomogeneous plastic deformation by cold rolling and structural relaxation by annealing. Results indicate that the size distribution of open volume sites is at least bimodal. The size and concentration of the larger group, identified as flow defects, changes with processing. Following initial plastic deformation the size of the flow defects increases, consistent with the free volume theory for flow. Following more extensive deformation, however, the size distribution of the positron traps shifts, with much larger open volume sites forming at the expense of the flow defects. This suggests that a critical strain is required for flow defects to coalesce and form more stable nanovoids, which have been observed elsewhere by high resolution TEM. Although these results suggest the presence of three distinct open volume size groups, further analysis indicates that all groups have the same line shape parameter. This is in contrast to the distinctly different interactions observed in crystalline materials with multiple defect types. This similarity may be due to the disordered structure of the glass and positron affinity to particular atoms surrounding open-volume regions.

2. Plant rhamnogalacturonan II complexation of heavy metal cations

DOEpatents

ONeill, M.A.; Pellerin, P.J.M.; Warrenfeltz, D.; Vidal, S.; Darvill, A.G.; Albersheim, P.

1999-03-02

The present invention provides rhamnogalacturonan-II (RG-II) and relates to its ability to complex specific multivalent heavy metal cations. In the presence of boric acid, RG-II monomers form dimers that are cross-linked by a borate ester. The yield of such borate ester cross-linked dimers of RG-II is enhanced in the presence of specific heavy metal cations. The present invention further relates to the utility of RG-II in assays for the detection of specific heavy metal contamination; as a reagent useful in the removal of specific heavy metal cations contaminating foods and liquids, for example, fish, wines, etc.; as a pharmaceutical composition useful as an antidote in specific heavy metal cation poisoning; as a treatment for the detoxification of specific heavy metal cations from blood and/or tissues; and in a method of remediation of waters and soils contaminated with specific heavy metal cations. 15 figs.

3. Plant rhamnogalacturonan II complexation of heavy metal cations

DOEpatents

O'Neill, Malcolm A.; Pellerin, Patrice J. M.; Warrenfeltz, Dennis; Vidal, Stephane; Darvill, Alan G.; Albersheim, Peter

1999-01-01

The present invention provides rhamnogalacturonan-II (RG-II) and relates to its ability to complex specific multivalent heavy metal cations. In the presence of boric acid, RG-II monomers form dimers that are cross-linked by a borate ester. The yield of such borate ester cross-linked dimers of RG-II is enhanced in the presence of specific heavy metal cations. The present invention further relates to the utility of RG-II in assays for the detection of specific heavy metal contamination; as a reagent useful in the removal of specific heavy metal cations contaminating foods and liquids, for example, fish, wines, etc.; as a pharmaceutical composition useful as an antidote in specific heavy metal cation poisoning; as a treatment for the detoxification of specific heavy metal cations from blood and/or tissues; and in a method of remediation of waters and soils contaminated with specific heavy metal cations.

4. Vacancy reactions near the interface between electroplated Cu and barrier metal layers studied by monoenergetic positron beams

Uedono, A.; Kirimura, T.; Wilson, C. J.; Croes, K.; Demuynck, S.; Tőkei, Z.; Oshima, N.; Suzuki, R.

2013-08-01

Positron annihilation was used to probe vacancy-type defects in electrodeposited Cu films with capping layers. For as-deposited Cu films, two different types of vacancy-type defects were found to coexist: vacancy aggregates (V2-V4) and larger vacancy clusters (˜V10). During the fabrication processes of the capping layers, these defects diffused towards the interface between the capping layers and Cu. On the sample with the capping layers consisting of TaN and SiCN, a vacancy-rich region about 40 nm wide was introduced below the TaN/Cu interface, which was attributed to the blocking of vacancies by the TaN layer, and resulted in their agglomeration. The SiCN layer started degrading at annealing temperatures above 270 °C. Above 570 °C, the size of open spaces and their concentration in the SiCN layer decreased, which can be attributed to the diffusion of Cu atoms into the SiCN layer. Positron annihilation was shown to have a high potential to detect vacancy-type defects and open spaces near the interface between barrier metals and electroplated Cu.

5. Positron microscopy

SciTech Connect

Hulett, L.D. Jr.; Xu, J.

1995-02-01

The negative work function property that some materials have for positrons make possible the development of positron reemission microscopy (PRM). Because of the low energies with which the positrons are emitted, some unique applications, such as the imaging of defects, can be made. The history of the concept of PRM, and its present state of development will be reviewed. The potential of positron microprobe techniques will be discussed also.

6. A search for supersymmetric electrons with the Mark II detector at PEP (Positron Electron Project)

SciTech Connect

LeClaire, B.W.

1987-10-01

An experimental search for selectrons, the supersymmetric partner of the electron, has been performed at the PEP storage ring at SLAC using the Mark II detector. The experimental search done was based upon hypothetical reaction in e/sup +/e/sup -/ interactions at PEP center of mass energies of 29 GeV. In this reaction the selectrons, e-tilde, are assumed produced by the interaction of one of initial state electrons with a photon radiated from the other initial state electron. This latter electron is assumed to continue down the beam pipe undetected. The photon and electron then produce a selectron and a photino, ..gamma..-tilde, in the supersymmetric analog of Compton scattering. The photino is assumed to be the lightest supersymmetric particle, and as such, does not interact in the detector, thereby escaping detection very much like a neutrino. The selectron is assumed to immediately decay into an electron and photino. This electron is produced with large p perpendicular with respect to the beam pipe, since it must balance the transverse momentum carried off by the photinos. Thus, the experimental signature of the process is a single electron in the detector with a large unbalanced tranverse momentum. No events of this type were observed in the original search of 123 pb/sup -1/ of data, resulting in a cross section limit of less than 2.4 x 10/sup -2/ pb (at the 95% CL) within the detector acceptance. This cross section upper limit applies to any process which produces anomalous single electron events with missing transverse momentum. When interpreted as a supersymmetry search it results in a lower selectron mass limit of 22.2 GeV/c/sup 2/ for the case of massless photinos. Limits for non-zero mass photinos have been calculated. 87 refs., 67 figs., 17 tabs.

7. Exploiting the Metal-Chelating Properties of the Drug Cargo for In Vivo Positron Emission Tomography Imaging of Liposomal Nanomedicines

PubMed Central

2016-01-01

The clinical value of current and future nanomedicines can be improved by introducing patient selection strategies based on noninvasive sensitive whole-body imaging techniques such as positron emission tomography (PET). Thus, a broad method to radiolabel and track preformed nanomedicines such as liposomal drugs with PET radionuclides will have a wide impact in nanomedicine. Here, we introduce a simple and efficient PET radiolabeling method that exploits the metal-chelating properties of certain drugs (e.g., bisphosphonates such as alendronate and anthracyclines such as doxorubicin) and widely used ionophores to achieve excellent radiolabeling yields, purities, and stabilities with 89Zr, 52Mn, and 64Cu, and without the requirement of modification of the nanomedicine components. In a model of metastatic breast cancer, we demonstrate that this technique allows quantification of the biodistribution of a radiolabeled stealth liposomal nanomedicine containing alendronate that shows high uptake in primary tumors and metastatic organs. The versatility, efficiency, simplicity, and GMP compatibility of this method may enable submicrodosing imaging studies of liposomal nanomedicines containing chelating drugs in humans and may have clinical impact by facilitating the introduction of image-guided therapeutic strategies in current and future nanomedicine clinical studies. PMID:27781436

8. Type II supernovae as probes of environment metallicity: observations of host H II regions

Anderson, J. P.; Gutiérrez, C. P.; Dessart, L.; Hamuy, M.; Galbany, L.; Morrell, N. I.; Stritzinger, M. D.; Phillips, M. M.; Folatelli, G.; Boffin, H. M. J.; de Jaeger, T.; Kuncarayakti, H.; Prieto, J. L.

2016-05-01

Context. Spectral modelling of type II supernova atmospheres indicates a clear dependence of metal line strengths on progenitor metallicity. This dependence motivates further work to evaluate the accuracy with which these supernovae can be used as environment metallicity indicators. Aims: To assess this accuracy we present a sample of type II supernova host H ii-region spectroscopy, from which environment oxygen abundances have been derived. These environment abundances are compared to the observed strength of metal lines in supernova spectra. Methods: Combining our sample with measurements from the literature, we present oxygen abundances of 119 host H ii regions by extracting emission line fluxes and using abundance diagnostics. These abundances are then compared to equivalent widths of Fe ii 5018 Å at various time and colour epochs. Results: Our distribution of inferred type II supernova host H ii-region abundances has a range of ~0.6 dex. We confirm the dearth of type II supernovae exploding at metallicities lower than those found (on average) in the Large Magellanic Cloud. The equivalent width of Fe ii 5018 Å at 50 days post-explosion shows a statistically significant correlation with host H ii-region oxygen abundance. The strength of this correlation increases if one excludes abundance measurements derived far from supernova explosion sites. The correlation significance also increases if we only analyse a "gold" IIP sample, and if a colour epoch is used in place of time. In addition, no evidence is found of a correlation between progenitor metallicity and supernova light-curve or spectral properties - except for that stated above with respect to Fe ii 5018 Å equivalent widths - suggesting progenitor metallicity is not a driving factor in producing the diversity that is observed in our sample. Conclusions: This study provides observational evidence of the usefulness of type II supernovae as metallicity indicators. We finish with a discussion of the

9. Positron Annihilation in Insulating Materials

SciTech Connect

Asoka-Kumar, P; Sterne, PA

2002-10-18

We describe positron results from a wide range of insulating materials. We have completed positron experiments on a range of zeolite-y samples, KDP crystals, alkali halides and laser damaged SiO{sub 2}. Present theoretical understanding of positron behavior in insulators is incomplete and our combined theoretical and experimental approach is aimed at developing a predictive understanding of positrons and positronium annihilation characteristics in insulators. Results from alkali halides and alkaline-earth halides show that positrons annihilate with only the halide ions, with no apparent contribution from the alkali or alkaline-earth cations. This contradicts the results of our existing theory for metals, which predicts roughly equal annihilation contributions from cation and anion. We also present result obtained using Munich positron microprobe on laser damaged SiO{sub 2} samples.

10. Metallic fuels: The EBR-II legacy and recent advances

SciTech Connect

Douglas L. Porter; Steven L. Hayes; J. Rory Kennedy

2012-09-01

Experimental Breeder Reactor – II (EBR-II) metallic fuel was qualified for high burnup to approximately 10 atomic per cent. Subsequently, the electrometallurgical treatment of this fuel was demonstrated. Advanced metallic fuels are now investigated for increased performance, including ultra-high burnup and actinide burning. Advances include additives to mitigate the fuel/cladding chemical interaction and uranium alloys that combine Mo, Ti and Zr to improve alloy performance. The impacts of the advances—on fabrication, waste streams, electrorefining, etc.—are found to be minimal and beneficial. Owing to extensive research literature and computational methods, only a modest effort is required to complete their development.

11. Nondestructive examination using neutron activated positron annihilation

DOEpatents

Akers, Douglas W.; Denison, Arthur B.

2001-01-01

A method is provided for performing nondestructive examination of a metal specimen using neutron activated positron annihilation wherein the positron emitter source is formed within the metal specimen. The method permits in situ nondestructive examination and has the advantage of being capable of performing bulk analysis to determine embrittlement, fatigue and dislocation within a metal specimen.

12. TEMPERATURE STRUCTURE AND METALLICITY IN H II REGIONS

SciTech Connect

Rodriguez, Monica; GarcIa-Rojas, Jorge E-mail: jogarcia@iac.e

2010-01-10

The metallicities implied by collisionally excited lines (CELs) of heavy elements in H II regions are systematically lower than those implied by recombination lines (RLs) by factors of approx2, introducing uncertainties of the same order in the metallicities inferred for the interstellar medium of any star-forming galaxy. Most explanations of this discrepancy are based on the different sensitivities of CELs and RLs to electron temperature, and invoke either some extra heating mechanism producing temperature fluctuations in the ionized region or the addition of cold gas in metal-rich inclusions or ionized by cosmic rays or X-rays. These explanations will change the temperature structure of the ionized gas from the one predicted by simple photoionization models, and depending on which one is correct, will imply different metallicities for the emitting gas. We select nine H II regions with observed spectra of high quality and show that simple models with metallicities close to the ones implied by oxygen CELs reproduce easily their temperature structure, measured with T{sub e}([N II])/T{sub e}([O III]), and their oxygen CELs emission. We discuss the strong constraints that this agreement places on the possible explanations of the discrepancy and suggest that the simplest explanation, namely errors in the line recombination coefficients by factors approx2, might be the correct one. In such case, CELs will provide the best estimates of metallicity.

13. Positron follow-up in liquid water: II. Spatial and energetic study for the most important radioisotopes used in PET.

PubMed

Champion, C; Le Loirec, C

2007-11-21

With the increasing development of positron emission tomography (PET), beta(+)-emitters are more and more regularly used in nuclear medicine. Therefore, today it is of prime importance to have a reliable description of their behavior in living matter in order to quantify the full spectra of the molecular damages potentially radio-induced and then to access a cellular dosimetry. In this work, we present a detailed inter-comparison of the main isotopes commonly used in PET: (18)F, (11)C, (13)N, (15)O, (68)Ga and (82)Rb. We have used an event-by-event Monte Carlo code recently developed for positron tracking in water (Champion and Le Loirec 2006 Phys. Med. Biol. 51 1707-23) which consists in simulating step-by-step, interaction after interaction, the history of each ionizing particle created during the irradiation of the biological matter. This simulation has been finally adapted for describing the decays of medically important positron emitters. Quantitative information about positron penetrations, Positronium formation, annihilation event distributions, energy deposit patterns and dose profiles is then accessible and compared to published measurements and/or calculations.

14. Transition metal-ligand bonding. II

NASA Technical Reports Server (NTRS)

Bauschlicher, C. W., Jr.

1986-01-01

The nature of the bonding of CO, H2O, and NH3 to transition metal atoms is analyzed using the constrained-space-orbital-variation (CSOV) technique. The cooperative effects for Ni(CO)2 are found to be different than those for Ni(H2O)2. The bonding between neutral systems and the positive ions is found to be quite different; NiCO(+) has little pi bonding, while NiCO has strong pi bonding. The positive ion of NiH2O is far more strongly bound than the neutral, while for NiCO the positive ion and neutral are bound by about the same energy.

15. Biosorption of Cu(II), Zn(II), Ni(II) and Pb(II) ions by cross-linked metal-imprinted chitosans with epichlorohydrin.

PubMed

Chen, Chia-Yun; Yang, Cheng-Yu; Chen, Arh-Hwang

2011-03-01

Cross-linked metal-imprinted chitosan microparticles were prepared from chitosan, using four metals (Cu(II), Zn(II), Ni(II), and Pb(II)) as templates, and epichlorohydrin as the cross-linker. The microparticles were characterized by Fourier transform infrared spectroscopy, solid state (13)C nuclear magnetic resonance spectroscopy, and energy-dispersive X-ray spectroscopy. They were used for comparative biosorption of Cu(II), Zn(II), Ni(II) and Pb(II) ions in an aqueous solution. The results showed that the sorption capacities of Cu(II), Zn(II), Ni(II), and Pb(II) on the templated microparticles increased from 25 to 74%, 13 to 46%, 41 to 57%, and 12 to 43%, respectively, as compared to the microparticles without metal ion templates. The dynamic study showed that the sorption process followed the second-order kinetic equation. Three sorption models, Langmuir, Freundlich, and Dubinin-Radushkevich, were applied to the equilibrium isotherm data. The result showed that the Langmuir isotherm equation best fitted for monolayer sorption processes. Furthermore, the microparticles can be regenerated and reused for the metal removal.

16. Vacancy defects and defect clusters in alkali metal ion-doped MgO nanocrystallites studied by positron annihilation and photoluminescence spectroscopy

Sellaiyan, S.; Uedono, A.; Sivaji, K.; Janet Priscilla, S.; Sivasankari, J.; Selvalakshmi, T.

2016-10-01

Pure and alkali metal ion (Li, Na, and K)-doped MgO nanocrystallites synthesized by solution combustion technique have been studied by positron lifetime and Doppler broadening spectroscopy methods. Positron lifetime analysis exhibits four characteristic lifetime components for all the samples. Doping reduces the Mg vacancy after annealing to 800 °C. It was observed that Li ion migrates to the vacancy site to recover Mg vacancy-type defects, reducing cluster vacancies and micropores. For Na- and K-doped MgO, the aforementioned defects are reduced and immobile at 800 °C. Coincidence Doppler broadening studies show the positron trapping sites as vacancy clusters. The decrease in the S parameter is due to the particle growth and reduction in the defect concentration at 800 °C. Photoluminescence study shows an emission peak at 445 nm and 498 nm, associated with F2 2+ and recombination of higher-order vacancy complexes. Further, annealing process is likely to dissociate F2 2+ to F+ and this F+ is converted into F centers at 416 nm.

17. Mixed metal copper(II)-nickel(II) and copper(II)-zinc(II) complexes of multihistidine peptide fragments of human prion protein.

PubMed

Jószai, Viktória; Turi, Ildikó; Kállay, Csilla; Pappalardo, Giuseppe; Di Natale, Giuseppe; Rizzarelli, Enrico; Sóvágó, Imre

2012-07-01

Mixed metal copper(II)-nickel(II) and copper(II)-zinc(II) complexes of four peptide fragments of human prion protein have been studied by potentiometric, UV-vis and circular dichroism spectroscopic techniques. One peptide contained three histidyl residues: HuPrP(84-114) with H85 inside and H96, H111 outside the octarepeat domain. The other three peptides contained two histidyl residues; H96 and H111 for HuPrP(91-115) and HuPrP(84-114)H85A while HuPrP(84-114)H96A contained the histidyl residues at positions 85 and 111. It was found that both histidines of the latter peptides can simultaneously bind copper(II) and nickel(II) ions and dinuclear mixed metal complexes can exist in slightly alkaline solution. One molecule of the peptide with three histidyl residues can bind two copper(II) and one nickel(II) ions. H85 and H111 were identified as the major copper(II) and H96 as the preferred nickel(II) binding sites in mixed metal species. The studies on the zinc(II)-PrP peptide binary systems revealed that zinc(II) ions can coordinate to the 31-mer PrP peptide fragments in the form of macrochelates with two or three coordinated imidazol-nitrogens but the low stability of these complexes cannot prevent the hydrolysis of the metal ion in slightly alkaline solution. These data provide further support for the outstanding affinity of copper(II) ions towards the peptide fragments of prion protein but the binding of nickel(II) can significantly modify the distribution of copper(II) among the available metal binding sites.

18. Surface sealing using self-assembled monolayers and its effect on metal diffusion in porous low-k dielectrics studied using monoenergetic positron beams

Uedono, Akira; Armini, Silvia; Zhang, Yu; Kakizaki, Takeaki; Krause-Rehberg, Reinhard; Anwand, Wolfgang; Wagner, Andreas

2016-04-01

Surface sealing effects on the diffusion of metal atoms in porous organosilicate glass (OSG) films were studied by monoenergetic positron beams. For a Cu(5 nm)/MnN(3 nm)/OSG(130 nm) sample fabricated with pore stuffing, C4F8 plasma etch, unstuffing, and a self-assembled monolayer (SAM) sealing process, it was found that pores with cubic pore side lengths of 1.1 and 3.1 nm coexisted in the OSG film. For the sample without the SAM sealing process, metal (Cu and Mn) atoms diffused from the top Cu/MnN layer into the OSG film and were trapped by the pores. As a result, almost all pore interiors were covered with those metals. For the sample damaged by an Ar/C4F8 plasma etch treatment before the SAM sealing process, SAMs diffused into the OSG film, and they were preferentially trapped by larger pores. The cubic pore side length in these pores containing self-assembled molecules was estimated to be 0.7 nm. Through this work, we have demonstrated that monoenergetic positron beams are a powerful tool for characterizing capped porous films and the trapping of atoms and molecules by pores.

19. High-dose boron and silver ion implantation into PMMA probed by slow positrons: Effects of carbonization and formation of metal nanoparticles

Kavetskyy, T.; Iida, K.; Nagashima, Y.; Kuczumow, A.; Šauša, O.; Nuzhdin, V.; Valeev, V.; Stepanov, A. L.

2017-01-01

The Doppler broadening slow positron beam spectroscopy (SPBS) data for the previously observed effect of carbonization in high-dose (>1016 ion/cm2) 40 keV boron-ion-implanted polymethylmethacrylate (B:PMMA) and another one obtained for the effect of formation of metal nanoparticles in high-dose 30 keV silver-ion-implanted polymer (Ag:PMMA) are compared. Following to the Doppler broadening SPBS results, a difference in the high-dose ion-irradiation-induced processes in B:PMMA and Ag:PMMA is detected.

20. Preparation and Characterization of Bi-metallic and Tri-metallic Metal Organic Frameworks Based on Trimesic Acid and Co(II), Ni(II), and Cu(II) Ions

Sahiner, Nurettin; Demirci, Sahin; Yildiz, Mustafa

2017-02-01

Trimesic acid-M1(II):M2(II) (M1,2(II)=M(II)=Co(II), Ni(II) and Cu(II)) bi-metallic or tri-metallic organic frameworks (MOFs) were synthesized by the reaction of trimesic acid (H3BTC) ligand with the corresponding MCl2nH2O aqueous solutions. Here, bi- and tri-metallic MOF preparations were demonstrated by using H3BTC as an organic linker, with dual metal ion mixtures at different mole ratios such as Co(II):Ni(II), Ni(II):Cu(II), and Cu(II):Co(II) as metal ion sources in the synthesis of bi-metallic MOFs, and the triple metal ion mixture of Co(II):Ni(II):Cu(II) as the metal ion source in the synthesis of tri-metallic MOFs. The bi- or tri-metallic MOFs were characterized via the Brunauer-Emmett-Teller method, thermogravimetric analyzer (TGA), and magnetic susceptibility measurements with the Gouy method, FT-IR spectroscopy, and electronic spectral studies. The results revealed that the H3BTC MOFs have octahedral and distorted octahedral arrangement around the metal ions, and the d-d transition was not observed in the complex. It was further found that all the prepared MOFs contain water molecules confirmed by Fourier transform infrared (FT-IR) and TGA analyses. The FT-IR spectra of the MOF complexes were characterized by the appearance of a broad band in the region of 3454-3300 cm-1 due to the ν(-OH) of the coordinated water; therefore, the location of the two water molecules was assumed to be inside the complex structure. Remarkably, the synthesized bi-metallic MOFs had unique and distinct colors depending on the amounts of metal ions used in the feed, implying that these bi-metallic MOFs with tunable M1(II) and M2(II) ratios offer great potential in the design of color-coded materials for use as sensors.

1. Macrocyclic receptor showing extremely high Sr(II)/Ca(II) and Pb(II)/Ca(II) selectivities with potential application in chelation treatment of metal intoxication.

PubMed

Ferreirós-Martínez, Raquel; Esteban-Gómez, David; Tóth, Éva; de Blas, Andrés; Platas-Iglesias, Carlos; Rodríguez-Blas, Teresa

2011-04-18

Herein we report a detailed investigation of the complexation properties of the macrocyclic decadentate receptor N,N'-Bis[(6-carboxy-2-pyridil)methyl]-4,13-diaza-18-crown-6 (H(2)bp18c6) toward different divalent metal ions [Zn(II), Cd(II), Pb(II), Sr(II), and Ca(II)] in aqueous solution. We have found that this ligand is especially suited for the complexation of large metal ions such as Sr(II) and Pb(II), which results in very high Pb(II)/Ca(II) and Pb(II)/Zn(II) selectivities (in fact, higher than those found for ligands widely used for the treatment of lead poisoning such as ethylenediaminetetraacetic acid (edta)), as well as in the highest Sr(II)/Ca(II) selectivity reported so far. These results have been rationalized on the basis of the structure of the complexes. X-ray crystal diffraction, (1)H and (13)C NMR spectroscopy, as well as theoretical calculations at the density functional theory (B3LYP) level have been performed. Our results indicate that for large metal ions such as Pb(II) and Sr(II) the most stable conformation is Δ(δλδ)(δλδ), while for Ca(II) our calculations predict the Δ(λδλ)(λδλ) form being the most stable one. The selectivity that bp18c6(2-) shows for Sr(II) over Ca(II) can be attributed to a better fit between the large Sr(II) ions and the relatively large crown fragment of the ligand. The X-ray crystal structure of the Pb(II) complex shows that the Δ(δλδ)(δλδ) conformation observed in solution is also maintained in the solid state. The Pb(II) ion is endocyclically coordinated, being directly bound to the 10 donor atoms of the ligand. The bond distances to the donor atoms of the pendant arms (2.55-2.60 Å) are substantially shorter than those between the metal ion and the donor atoms of the crown moiety (2.92-3.04 Å). This is a typical situation observed for the so-called hemidirected compounds, in which the Pb(II) lone pair is stereochemically active. The X-ray structures of the Zn(II) and Cd(II) complexes show that

2. Bulk Materials Analysis Using High-Energy Positron Beams

SciTech Connect

Glade, S C; Asoka-Kumar, P; Nieh, T G; Sterne, P A; Wirth, B D; Dauskardt, R H; Flores, K M; Suh, D; Odette, G R

2002-11-11

This article reviews some recent materials analysis results using high-energy positron beams at Lawrence Livermore National Laboratory. We are combining positron lifetime and orbital electron momentum spectroscopic methods to provide electron number densities and electron momentum distributions around positron annihilation sites. Topics covered include: correlation of positron annihilation characteristics with structural and mechanical properties of bulk metallic glasses, compositional studies of embrittling features in nuclear reactor pressure vessel steel, pore characterization in Zeolites, and positron annihilation characteristics in alkali halides.

3. Positron Physics

NASA Technical Reports Server (NTRS)

Drachman, Richard J.

2003-01-01

I will give a review of the history of low-energy positron physics, experimental and theoretical, concentrating on the type of work pioneered by John Humberston and the positronics group at University College. This subject became a legitimate subfield of atomic physics under the enthusiastic direction of the late Sir Harrie Massey, and it attracted a diverse following throughout the world. At first purely theoretical, the subject has now expanded to include high brightness beams of low-energy positrons, positronium beams, and, lately, experiments involving anti-hydrogen atoms. The theory requires a certain type of persistence in its practitioners, as well as an eagerness to try new mathematical and numerical techniques. I will conclude with a short summary of some of the most interesting recent advances.

4. Annealing behaviors of vacancy-type defects near interfaces between metal contacts and GaN probed using a monoenergetic positron beam

Uedono, Akira; Fujishima, Tatsuya; Piedra, Daniel; Yoshihara, Nakaaki; Ishibashi, Shoji; Sumiya, Masatomo; Laboutin, Oleg; Johnson, Wayne; Palacios, Tomás

2014-08-01

Vacancy-type defects near interfaces between metal contacts and GaN grown on Si substrates by metal organic chemical vapor deposition have been studied using a monoenergetic positron beam. Measurements of Doppler broadening spectra of the annihilation radiation for Ti-deposited GaN showed that optically active vacancy-type defects were introduced below the Ti/GaN interface after annealing at 800 °C. Charge transition of those defects due to electron capture was observed and was found to correlate with a yellow band in the photoluminescence spectrum. The major defect species was identified as vacancy clusters such as three to five Ga-vacancies coupled with multiple nitrogen-vacancies. The annealing behaviors of vacancy-type defects in Ti-, Ni-, and Pt-deposited GaN were also examined.

5. Annealing behaviors of vacancy-type defects near interfaces between metal contacts and GaN probed using a monoenergetic positron beam

SciTech Connect

Uedono, Akira Yoshihara, Nakaaki; Fujishima, Tatsuya; Piedra, Daniel; Palacios, Tomás; Ishibashi, Shoji; Sumiya, Masatomo; Laboutin, Oleg; Johnson, Wayne

2014-08-04

Vacancy-type defects near interfaces between metal contacts and GaN grown on Si substrates by metal organic chemical vapor deposition have been studied using a monoenergetic positron beam. Measurements of Doppler broadening spectra of the annihilation radiation for Ti-deposited GaN showed that optically active vacancy-type defects were introduced below the Ti/GaN interface after annealing at 800 °C. Charge transition of those defects due to electron capture was observed and was found to correlate with a yellow band in the photoluminescence spectrum. The major defect species was identified as vacancy clusters such as three to five Ga-vacancies coupled with multiple nitrogen-vacancies. The annealing behaviors of vacancy-type defects in Ti-, Ni-, and Pt-deposited GaN were also examined.

6. Propagation and Generation of Electromagnetic Waves at Proton Gyrofrequencies in a Relativistic Electron-Positron Plasma. II. Excitation of Electromagnetic Waves

Zheleznyakov, V. V.; Bespalov, P. A.

2016-04-01

In part I of this work [1], we study the dispersion characteristics of low-frequency waves in a relativistic electron-positron plasma. In part II, we examine the electromagnetic wave instability in this plasma caused by an admixture of nonrelativistic protons with energy comparable with the energy of relativistic low-mass particles. The instability occurs in the frequency band between the fundamental harmonic of proton gyrofrequency and the fundamental harmonic of relativistic electron gyrofrequency. The results can be used for the interpretation of known observations of the pulsar emissions obtained with a high time and frequency resolution. The considered instability can probably be the initial stage of the microwave radio emission nanoshots typical of the pulsar in the Crab Nebula.

7. Unexpected Ni(II) and Cu(II) polynuclear assemblies--a balance between ligand and metal ion coordination preferences.

PubMed

Shuvaev, Kontantin V; Tandon, Santokh S; Dawe, Louise N; Thompson, Laurence K

2010-07-14

Polytopic ligand design involves matching the coordination pocket composition with the metal ion coordination 'algorithm', but despite targeting [4 x 4] grids as the final outcome, metal ion preferences and ligand control can lead to widely varying complexes in the self-assembly process with Ni(II) and Cu(II).

8. H II Region Metallicity Distribution in the Milky Way Disk

Balser, Dana S.; Rood, Robert T.; Bania, T. M.; Anderson, L. D.

2011-09-01

9. Positron trapping at grain boundaries

SciTech Connect

Dupasquier, A. ); Romero, R.; Somoza, A. )

1993-10-01

The standard positron trapping model has often been applied, as a simple approximation, to the interpretation of positron lifetime spectra in situations of diffusion-controlled trapping. This paper shows that this approximation is not sufficiently accurate, and presents a model based on the correct solution of the diffusion equation, in the version appropriate for studying positron trapping at grain boundaries. The model is used for the analysis of new experimental data on positron lifetime spectra in a fine-grained Al-Ca-Zn alloy. Previous results on similar systems are also discussed and reinterpreted. The analysis yields effective diffusion coefficients not far from the values known for the base metals of the alloys.

10. Metal Zn(II), Cu(II), Ni (II) complexes of ursodeoxycholic acid as putative anticancer agents

PubMed Central

Dyakova, Lora; Culita, Daniela-Cristina; Marinescu, Gabriela; Alexandrov, Marin; Kalfin, Reni; Patron, Luminita; Alexandrova, Radostina

2014-01-01

The aim of the study was to evaluate the influence of metal [Zn(II), Cu(II), Ni(II)] complexes with ursodeoxycholic acid (UDCA) on the viability and proliferation of tumour and non-tumour cells. Cell lines established from retrovirus-transformed chicken hepatoma (LSCC-SF-Mc29) and rat sarcoma (LSR-SF-SR) as well as from human cancers of the breast (MCF-7), uterine cervix (HeLa), lung (A549) and liver (HepG2) were used as model systems. Non-tumour human embryo (Lep-3) cells were also included in some of the experiments. The investigations were carried out by the thiazolyl blue tetrazolium bromide (MTT) test, neutral red uptake cytotoxicity assay, crystal violet staining, double staining with acridine orange and propidium iodide and the colony-forming method. The results obtained revealed that: (1) UDCA and its metal complexes in the tested concentrations decreased (to a varying degree) the viability and proliferation of the treated cells in a time- and concentration-dependent manner; (2) chicken hepatoma (LSCC-SF-Mc29) cells were most sensitive to the cytotoxic and antiproliferative action of the compounds tested, followed by rat sarcoma (LSR-SF-SR) cells; (3) Cu‒UDCA and Ni‒UDCA were more effective against animal LSCC-SF-Mc29 and LSR-SF-SR cells, while Zn‒UDCA significantly decreased the viability and proliferation of human tumour cell lines; (4) applied independently, UDCA expressed lower cytotoxic/cytostatic activity as compared to metal complexes; and (5) the sensitivity of the non-tumour embryonic Lep-3 cells to the effects of UDCA and its metal complexes was comparable or even higher than those of the human tumour cells. PMID:26019542

11. Immobilization of heavy metal ions (CuII, CdII, NiII, and PbII) by broiler litter-derived biochars in water and soil.

PubMed

Uchimiya, Minori; Lima, Isabel M; Thomas Klasson, K; Chang, SeChin; Wartelle, Lynda H; Rodgers, James E

2010-05-12

Chars, a form of environmental black carbon resulting from incomplete burning of biomass, can immobilize organic contaminants by both surface adsorption and partitioning mechanisms. The predominance of each sorption mechanism depends upon the proportion of organic to carbonized fractions comprising the sorbent. Information is currently lacking in the effectiveness of char amendment for heavy metal immobilization in contaminated (e.g., urban and arms range) soils where several metal contaminants coexist. The present study employed sorbents of a common biomass origin (broiler litter manure) that underwent various degrees of carbonization (chars formed by pyrolysis at 350 and 700 degrees C and steam-activated analogues) for heavy metal (Cd(II), Cu(II), Ni(II), and Pb(II)) immobilization in water and soil. ATR-FTIR, (1)H NMR, and Boehm titration results suggested that higher pyrolysis temperature and activation lead to the disappearance (e.g., aliphatic -CH(2) and -CH(3)) and the formation (e.g., C-O) of certain surface functional groups, portions of which are leachable. Both in water and in soil, pH increase by the addition of basic char enhanced the immobilization of heavy metals. Heavy metal immobilization resulted in nonstoichiometric release of protons, that is, several orders of magnitude greater total metal concentration immobilized than protons released. The results suggest that with higher carbonized fractions and loading of chars, heavy metal immobilization by cation exchange becomes increasingly outweighed by other controlling factors such as the coordination by pi electrons (C=C) of carbon and precipitation.

12. Adsorptive removal of Cu(II) and Ni(II) from single-metal, binary-metal, and industrial wastewater systems by surfactant-modified alumina.

PubMed

2015-01-01

Batch adsorption was carried out to investigate the possibility of utilizing surfactant-modified alumina (SMA) as an adsorbent for the removal of Cu(II) and Ni(II) from single-metal and binary-metal solutions. Scanning electron microscopic (SEM) images of SMA before and after metal removal from single-metal matrix, showed no significant changes, whereas energy dispersive X-ray (EDX) studies confirmed the incorporation of Cu(II) (∼ 0.74 atomic%) and Ni(II) (∼ 0.64 atomic%) on the adsorbent surface. The removal of Cu(II) and Ni(II), using SMA depends on contact time, adsorbent dose and medium pH. The sorption kinetics followed pseudo-second-order model for Cu(II). However, for Ni(II), either pseudo-first-order or pseudo-second-order model is applicable. The batch experimental data were fitted to Langmuir and Freundlich isotherm, and based on the correlation coefficient value (R(2)), the adsorption could be described more precisely by the Freundlich isotherm. The maximum adsorption capacity from Langmuir isotherm of Cu(II) was 9.34 mg g(-1) and for Ni(II) 6.87 mg g(-1). In a synthetic binary mixture of Cu(II) and Ni(II), having a concentration of 10 mg L(-1) each, removal of Cu(II) was better. The treatment method was further applied to real wastewater from an electroplating industry. The batch experiment results showed that SMA was effective in the simultaneous removal of Cu(II) and Ni(II) to a significant extent, with additional improvement of water quality of the industrial effluent considered.

13. DNA interaction studies of tridentate bridged Ru(II)-Pt(II) mixed-metal supramolecules.

PubMed

Prussin, Aaron J; Zhao, Shengliang; Jain, Avijita; Winkel, Brenda S J; Brewer, Karen J

2009-03-01

Reported herein are studies of the concentration and temperature dependent interactions with DNA of the stereochemically defined mixed-metal supramolecular complexes, [(tpy)Ru(tppz)PtCl](PF(6))(3) and [ClPt(tppz)Ru(tppz)PtCl](PF(6))(4) (tpy=2,2':6',2''-terpyridine and tppz=2,3,5,6-tetrakis(2-pyridyl)pyrazine). These metal complexes couple a ruthenium based light absorber (LA) to the bioactive platinum sites (BAS) using a tridentate bridging ligand (BL). The complexes exhibit intense Ru-->tppz(pi*) metal to ligand charge transfer (MLCT) transitions in the visible region and adopt a square planar geometry around the Pt(II) center. The effect of incubating these metal complexes with DNA on the subsequent migration of DNA through an agarose gel was found to be more dramatic than that observed for the well known anticancer drug, cis-[Pt(NH(3))(2)Cl(2)] (cisplatin). This effect was enhanced with increased incubation temperature. Unwinding of supercoiled plasmid DNA was found to be more pronounced for the trimetallic complex, [ClPt(tppz)Ru(tppz)PtCl](PF(6))(4), than for the bimetallic complex, [(tpy)Ru(tppz)PtCl](PF(6))(3).

14. Noninvasive positron emission tomography imaging of cell death using a novel small-molecule probe, (18)F labeled bis(zinc(II)-dipicolylamine) complex.

PubMed

Wang, Hongliang; Tang, Xiaolan; Tang, Ganghua; Huang, Tingting; Liang, Xiang; Hu, Kongzhen; Deng, Huaifu; Yi, Chang; Shi, Xinchong; Wu, Kening

2013-08-01

The synthetic bis(zinc(II)-dipicolylamine) (DPAZn2) coordination complexes are known to have a high specific and selective affinity to target the exposed phosphatidylserine (PS) on the surface of dead and dying cells. An (18)F-labeled DPAZn2 complex (4-(18)F-Fluoro-benzoyl-bis(zinc(II)-dipicolylamine), (18)F-FB-DPAZn2) as positron emission tomography (PET) tracer was developed and evaluated for in vivo imaging of tumor treated with a chemical agent. The in vitro cell stain studies revealed that fluorescent DPAZn2 complexes (Dansyl-DPAZn2) stained the same cells (apoptotic and necrotic cells) as fluorescein isothiocyanate (FITC) labeled Annexin V (FITC-Annexin V). The radiosynthesis of (18)F-FB-DPAZn2 was achieved through the amidation the precursor bis(2,2'-dipicolylamine) derivative (DPA2) with the prosthetic group N-succinimidyl-4-[(18)F]-fluorobenzoate ((18)F-SFB) and chelation with zinc nitrate. In the biodistribution study, the fast clearance of (18)F-FB-DPAZn2 from blood and kidney was observed and high uptake in liver and intestine within 90 min postinjection was also found. For the PET imaging, significantly higher tumor uptake of (18)F-FB-DPAZn2 was observed in the adriamycin (ADM)-treated Hepa1-6 hepatocellular carcinoma-bearing mice than that in the untreated tumor-model mice, while a slightly decreased tumor uptake of (18)F-FDG was found in the ADM-treated tumor-bearing mice. The results indicate that (18)F-FB-DPAZn2 has the similar capability of apoptosis detection as FITC-Annexin V and seems to be a potential PET tracer for noninvasive evaluation and monitoring of anti-tumor chemotherapy. The high uptake of (18)F-FB-DPAZn2 in the abdomen needs to optimize the structure for improving its pharmacokinetics characteristics in the future work.

15. Impact of 18F-Fluoro-2-Deoxyglucose Positron Emission Tomography on Treatment Strategy and Radiotherapy Planning for Stage I-II Hodgkin Disease: A Prospective Multicenter Study

SciTech Connect

Pommier, Pascal; Dussart, Sophie; Girinsky, Theodore; Chabaud, Sylvie; Lagrange, Jean Leon; Nguyen, Tan Dat; Beckendorff, Veronique; D'Hombres, Anne; Artignan, Xavier; Bondiau, Pierre Yves; Carrie, Christian; Giammarile, Francesco

2011-03-01

16. Mixed metal hydroxycarboxylic acid complexes. Spectrophotometric study of complexes of U(VI) with In(III), Cu(II), Zn(II) and Cd(II)

SciTech Connect

Manzurola, E.; Apelblat, A.; Markovits, G.; Levy, O. )

1988-01-01

The formation of mixed metal complexes between uranium (VI), as the central metal ion, and aluminum (III), indium (III), copper (II), zinc (II) and cadmium (II), as the additional metal ions, with a hydroxycarboxylic acid chosen between citric, tartaric or malic, has been studied using spectrophotometric methods. The effect of pH has been examined, and the results show that at pH = 4 stable complexes are formed for most of the systems. At this pH the method of mole ratio and Job's method of continuous variations, were employed to determine the stoichiometry of the mixed metal complexes. Al(III), In(III) and Cu(II) showed a high tendency to form mixed metal complexes with U(VI), while the formation of complexes is uncertain for Cd(II) and Zn(II). The ratio of the ligand to the total metal ion has been found to be 2:1 and metal:metal ratios of 1:1 and 1:2 have been observed.

17. Early Positron Emission Tomography Response-Adapted Treatment in Stage I and II Hodgkin Lymphoma: Final Results of the Randomized EORTC/LYSA/FIL H10 Trial.

PubMed

André, Marc P E; Girinsky, Théodore; Federico, Massimo; Reman, Oumédaly; Fortpied, Catherine; Gotti, Manuel; Casasnovas, Olivier; Brice, Pauline; van der Maazen, Richard; Re, Alessandro; Edeline, Véronique; Fermé, Christophe; van Imhoff, Gustaaf; Merli, Francesco; Bouabdallah, Réda; Sebban, Catherine; Specht, Lena; Stamatoullas, Aspasia; Delarue, Richard; Fiaccadori, Valeria; Bellei, Monica; Raveloarivahy, Tiana; Versari, Annibale; Hutchings, Martin; Meignan, Michel; Raemaekers, John

2017-03-14

Purpose Patients who receive combined modality treatment for stage I and II Hodgkin lymphoma (HL) have an excellent outcome. Early response evaluation with positron emission tomography (PET) scan may improve selection of patients who need reduced or more intensive treatments. Methods We performed a randomized trial to evaluate treatment adaptation on the basis of early PET (ePET) after two cycles of doxorubicin, bleomycin, vinblastine, and dacarbazine (ABVD) in previously untreated-according to European Organisation for Research and Treatment of Cancer criteria favorable (F) and unfavorable (U)-stage I and II HL. The standard arm consisted of ABVD followed by involved-node radiotherapy (INRT), regardless of ePET result. In the experimental arm, ePET-negative patients received ABVD only (noninferiority design), whereas ePET-positive patients switched to two cycles of bleomycin, etoposide, doxorubicin, cyclophosphamide, vincristine, procarbazine, and prednisone (BEACOPPesc) and INRT (superiority design). Primary end point was progression-free survival (PFS). Results Of 1,950 randomly assigned patients, 1,925 received an ePET-361 patients (18.8%) were positive. In ePET-positive patients, 5-year PFS improved from 77.4% for standard ABVD + INRT to 90.6% for intensification to BEACOPPesc + INRT (hazard ratio [HR], 0.42; 95% CI, 0.23 to 0.74; P = .002). In ePET-negative patients, 5-year PFS rates in the F group were 99.0% versus 87.1% (HR, 15.8; 95% CI, 3.8 to 66.1) in favor of ABVD + INRT; the U group, 92.1% versus 89.6% (HR, 1.45; 95% CI, 0.8 to 2.5) in favor of ABVD + INRT. For both F and U groups, noninferiority of ABVD only compared with combined modality treatment could not be demonstrated. Conclusion In stage I and II HL, PET response after two cycles of ABVD allows for early treatment adaptation. When ePET is positive after two cycles of ABVD, switching to BEACOPPesc + INRT significantly improved 5-year PFS. In ePET-negative patients, noninferiority of ABVD only

18. Positron spectroscopy for materials characterization

SciTech Connect

1988-01-01

One of the more active areas of research on materials involves the observation and characterization of defects. The discovery of positron localization in vacancy-type defects in solids in the 1960's initiated a vast number of experimental and theoretical investigations which continue to this day. Traditional positron annihilation spectroscopic techniques, including lifetime studies, angular correlation, and Doppler broadening of annihilation radiation, are still being applied to new problems in the bulk properties of simple metals and their alloys. In addition new techniques based on tunable sources of monoenergetic positron beams have, in the last 5 years, expanded the horizons to studies of surfaces, thin films, and interfaces. In the present paper we briefly review these experimental techniques, illustrating with some of the important accomplishments of the field. 40 refs., 19 figs.

19. Positron annihilation study of structural relaxation and crystallization in a metallic glass Al80Fe8Mo7Ni5 alloy

Abo-Elsoud, M.

2013-04-01

Kinetic transformations induced in the metallic glass Al80Fe8Mo7Ni5 by thermal treatments from the amorphous to the crystallized state, following the variation of the Doppler broadening of the positron annihilation line-shaped S-and W-parameters were reported. The behavior of the annihilation line-shape shows reversible and non-reversible contributions. Crystallization of the sample appears as a three-stage process. The corresponding crystallization process consists of only one activation enthalpy, Eai. The mean value obtained for Eai is: Eam=(3.65±0.14) eV. In-situ high-temperature X-ray diffraction showed that the crystallization was a complex involving growth of the Al7Fe8Mo crystalline phase along with crystallization of the amorphous matrix Al phase at T ≈500 °C. Electron micrograph with image analysis of the scanning electron microscopy pictures confirmed the presence of fcc-Al and Al7Fe8Mo crystalline phase.

20. Design Issues for the ILC Positron Source

SciTech Connect

Bharadwaj, V.; Batygin, Yu.K.; Pitthan, R.; Schultz, D.C.; Sheppard, J.; Vincke, H.; Wang, J.W.; Gronberg, J.; Stein, W.; /LLNL, Livermore

2006-02-15

A positron source for the International Linear Collider (ILC) can be designed using either a multi-GeV electron beam or a multi-MeV photon beam impinging on a metal target. The major design issues are: choice of drive beam and its generation, choice of target material, the target station, positron capture section, target vault and beam transport to the ILC positron damping ring complex. This paper lists the ILC positron source requirements and their implications for the design of the positron source. A conceptual design for the ILC is expected to be finished in the next two years. With emphasis on this timescale, source design issues and possible solutions are discussed.

PubMed

Güçlü; Apak

2000-08-15

2. Thermal positron interactions with alkali covered tungsten

Yamashita, Takashi; Iida, Shimpei; Terabe, Hiroki; Nagashima, Yasuyuki

2016-11-01

The branching ratios of positron reemission, positronium emission, positronium negative ion emission and capture to the surface state for thermalized positrons at polycrystalline tungsten surfaces coated with Na, K and Cs have been measured. The data shows that the ratios depend on the coverage of the alkali-metal coating. The fraction of the emitted positronium increases with the coverage of the coating up to 90%.

3. Docking of ethanamine Schiff base imines & metal (II) complexes, cytotoxicity & DNA interaction studies

Sujarani, S.; Ramu, A.

2015-01-01

The present study deals with a series of biologically and stereo chemically important novel transition metal (II) Schiff base chelates. The Cu (II), Co (II), Mn (II) and Ni (II) ions containing complexes were synthesized by using diphenylethanamine and 2-hydroxy/2, 4-dihydroxy/2-hydroxy-4-methoxybenzaldehydes. The synthesized complexes were characterized using micro analytical, IR, NMR, ESI-Mass, UV-Visible, cyclic voltammetry and the EPR spectroscopic techniques. The spectral data evidenced the action of ligands as a neutral bidentate Schiff bases, coordinating through azomethine nitrogen and oxygen atom of hydroxyl group. The interaction studies revealed the groove binding nature of complexes with CT-DNA. The ligand and synthesized metal complexes showed cytotoxicity against cancerous cells. The strong binding affinity of the imine and metal complexes was also confirmed by molecular docking studies.

4. Positron moderation and detection for positronic atoms

An apparatus is under development for H--+* production, atoms consisting of a positron bound in a Rydberg state to an H-- ion. High energy e+ from radioactive N2211a are slowed (moderated) to eV energies in solid neon and captured in a Penning trap. The procedure to deposit the neon is optimized, resulting in a 1.5% efficiency for moderating high energy e +. Neutral H--+* atoms with ˜100 eV will be produced from these trapped e+ and exit the trap, hitting a metal surface where the e+ annihilates. Back-to-back annihilation gamma photons (Egamma ≈ 0.511 MeV) detected in coincidence, at the expected energy are the fingerprint for H--+* production. A N2211a test source mocks H--+* experiments with ˜2.7% of the e+ emitting disintegrations detected. This high efficiency, with a background rate of ˜2.8 events/hour is achieved by surrounding the detectors with lead and cosmic ray detectors.

5. Five coordinate M(II)-diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff base complexes exhibiting metal- and ligand-based redox chemistry.

PubMed

Franks, Mark; Gadzhieva, Anastasia; Ghandhi, Laura; Murrell, David; Blake, Alexander J; Davies, E Stephen; Lewis, William; Moro, Fabrizio; McMaster, Jonathan; Schröder, Martin

2013-01-18

Five-coordinate Zn(II), Ni(II), and Cu(II) complexes containing pentadentate N(3)O(2) Schiff base ligands [1A](2-) and [1B](2-) have been synthesized and characterized. X-ray crystallographic studies reveal five coordinate structures in which each metal ion is bound by two imine N-donors, two phenolate O-donors, and a single amine N-donor. Electron paramagnetic resonance (EPR) spectroscopic studies suggest that the N(3)O(2) coordination spheres of [Cu(1A)] and [Cu(1B)] are retained in CH(2)Cl(2) solution and solid-state superconducting quantum interference device (SQUID) magnetometric studies confirm that [Ni(1A)] and [Ni(1B)] adopt high spin (S = 1) configurations. Each complex exhibits two reversible oxidation processes between +0.05 and +0.64 V vs [Fc](+)/[Fc]. The products of one- and two-electron oxidations have been studied by UV/vis spectroelectrochemistry and by EPR spectroscopy which confirm that each oxidation process for the Zn(II) and Cu(II) complexes is ligand-based with sequential formation of mono- and bis-phenoxyl radical species. In contrast, the one-electron oxidation of the Ni(II) complexes generates Ni(III) products. This assignment is supported by spectroelectrochemical and EPR spectroscopic studies, density functional theory (DFT) calculations, and the single crystal X-ray structure of [Ni(1A)][BF(4)] which contains Ni in a five-coordinate distorted trigonal bipyramidal geometry.

6. Design, synthesis and characterization of macrocyclic ligand based transition metal complexes of Ni(II), Cu(II) and Co(II) with their antimicrobial and antioxidant evaluation

2017-04-01

Three new complexes Ni(II), Cu(II) and Co(II) were synthesized of macrocyclic ligand derived from 1, 4-dicarbonyl-phenyl-dihydrazide and O-phthalaldehyde in the ratio of 2:2. The synthesized compounds were characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, FTIR, UV-Vis., Mass and 1H NMR spectral studies. The electronic spectra of the metal complexes indicate a six coordinate octahedral geometry of the central metal ion. These metal complexes and the ligand were evaluated for antimicrobial activity against bacteria (E. coli, B. subtilis, S. aureus) and fungi (A. niger, A. flavus, C. albicans) and compared against standard drugs chloramphenicol and nystatin respectively. In addition, the antioxidant activity of the compounds was also investigated through scavenging effect on DPPH radicals.

7. General Metal Trades. Book II. Units of Instruction. Teacher's Guide.

ERIC Educational Resources Information Center

Hohhertz, Durwin

This teacher's guide was developed to aid in presenting units on general metal trades to students in Texas. The units are intended to provide students with basic knowledge and skills for each area of instruction in the general metal trades, and with the basic entry-level skills they will need to have in order to enter industry as trained workers.…

8. Sculpture, Metallic Formations II, Art Education: 6683.12b.

ERIC Educational Resources Information Center

Dubocq, Edward R.

An exploratory course in the creation of shapes using a variety of metals and techniques is described in this guide for quinmester elective course for grades 7-12. Students cut, form, weld, rivet, cast and finish such metals as steel, copper, aluminum, brass, pewter, and bronze. They develop a working knowledge of the various tools and processes,…

9. Multiple metal ions drive DNA association by PvuII endonuclease.

PubMed

Conlan, Lori H; Dupureur, Cynthia M

2002-12-17

Restriction enzymes serve as important model systems for understanding the role of metal ions in phosphodiester hydrolysis. To this end, a number of laboratories have reported dramatic differences between the metal ion-dependent and metal ion-independent DNA binding behaviors of these systems. In an effort to illuminate the underlying mechanistic details which give rise to these differences, we have quantitatively dissected these equilibrium behaviors into component association and dissociation rates for the representative PvuII endonuclease and use these data to assess the stoichiometry of metal ion involvement in the binding process. The dependence of PvuII cognate DNA on Ca(II) concentration binding appears to be cooperative, exhibiting half-saturation at 0.6 mM metal ion and yielding an n(H) of 3.5 +/- 0.2 per enzyme homodimer. Using both nitrocellulose filter binding and fluorescence assays, we observe that the cognate DNA dissociation rate (k(-)(1) or k(off)) is very slow (10(-)(3) s(-)(1)) and exhibits a shallow dependence on metal ion concentration. DNA trap cleavage experiments with Mg(II) confirm the general irreversibility of DNA binding relative to cleavage, even at low metal ion concentrations. More dramatically, the association rate (k(1) or k(on)) also appears to be cooperative, increasing more than 100-fold between 0.2 and 10 mM Ca(II), with an optimum value of 2.7 x 10(7) M(-)(1) s (-)(1). Hill analysis of the metal ion dependence of k(on) indicates an n(H) of 3.6 +/- 0.2 per enzyme dimer. This value is consistent with the involvement in DNA association of two metal ions per subunit active site, a result which lends new strength to arguments for two-metal ion mechanisms in restriction enzymes.

10. Effect of biofilm coatings at metal-oxide/water interfaces II: Competitive sorption between Pb(II) and Zn(II) at Shewanella oneidensis/metal-oxide/water interfaces

Wang, Yingge; Gélabert, Alexandre; Michel, F. Marc; Choi, Yongseong; Eng, Peter J.; Spormann, Alfred M.; Brown, Gordon E.

2016-09-01

Competitive sorption of Pb(II) and Zn(II) on Shewanella oneidensis MR-1 biofilm-coated single-crystal α-Al2O3 (1 -1 0 2) and α-Fe2O3 (0 0 0 1) surfaces was investigated using long-period X-ray standing wave-florescence yield (LP-XSW-FY) spectroscopy. In situ partitioning of aqueous Pb(II) and Zn(II) between the biofilms and underlying metal-oxide substrates was probed following exposure of these complex interfaces to equi-molar Pb and Zn solutions (0.01 M NaNO3 as background electrolyte, pH = 6.0, and 3-h equilibration time). At higher Pb and Zn concentrations (⩾10-5 M), more than 99% of these ions partitioned into the biofilms at S. oneidensis/α-Al2O3 (1 -1 0 2)/water interfaces, which is consistent with the partitioning behavior of both Pb(II) or Zn(II) in single-metal-ion experiments. Thus, no apparent competitive effects were found in this system at these relatively high metal-ion concentrations. However, at lower equi-molar concentrations (⩽10-6 M), Pb(II) and Zn(II) partitioning in the same system changed significantly compared to the single-metal-ion systems. The presence of Zn(II) decreased Pb(II) partitioning onto α-Al2O3 (1 -1 0 2) substantially (∼52% to ∼13% at 10-7 M, and ∼23% to ∼5% at 10-6 M), whereas the presence of Pb(II) caused more Zn(II) to partition onto α-Al2O3 (1 -1 0 2) surfaces (∼15% to ∼28% at 10-7 M, and ∼1% to ∼7% at 10-6 M). The higher observed partitioning of Zn(II) (∼28%) at the α-Al2O3 (1 -1 0 2) surfaces compared to Pb(II) (∼13%) in the mixed-metal-ion systems at the lowest concentration (10-7 M) suggests that Zn(II) is slightly favored over Pb(II) for sorption sites on α-Al2O3 (1 -1 0 2) surfaces under our experimental conditions. Competitive sorption of Pb(II) and Zn(II) at S. oneidensis/α-Fe2O3 (0 0 0 1)/water interfaces at equi-molar metal-ion concentrations of ⩽10-6 M showed that the presence of Pb(II) ions decreased Zn(II) partitioning onto α-Fe2O3 (0 0 0 1) significantly (∼45% to <1% at 10

11. Detecting positron-atom bound states through resonant annihilation.

PubMed

Dzuba, V A; Flambaum, V V; Gribakin, G F

2010-11-12

A method is proposed for detecting positron-atom bound states by observing enhanced positron annihilation due to electronic Feshbach resonances at electron-volt energies. The method is applicable to a range of open-shell transition-metal atoms which are likely to bind the positron: Fe, Co, Ni, Tc, Ru, Rh, Sn, Sb, Ta, W, Os, Ir, and Pt. Estimates of their binding energies are provided.

12. Removal of Ni(II), Zn(II) and Pb(II) ions from single metal aqueous solution using rice husk-based activated carbon

SciTech Connect

Taha, Mohd F. Shaharun, Maizatul S.; Shuib, Anis Suhaila Borhan, Azry

2014-10-24

An attempt was made to investigate the potential of rice husk-based activated carbon as an alternative low-cost adsorbent for the removal of Ni(II), Zn(II) and Pb(II) ions from single aqueous solution. Rice husk-based activated carbon was prepared via treatment of rice husk with NaOH followed by the carbonization process at 400°C for 2 hours. Three samples, i.e. raw rice husk, rice husk treated with NaOH and rice husk-based activated carbon, were analyzed for their morphological characteristics using field-emission scanning electron microscope/energy dispersive X-ray (FESEM/EDX). These samples were also analyzed for their carbon, hydrogen, nitrogen, oxygen and silica contents using CHN elemental analyzer and FESEM/EDX. The porous properties of rice husk-based activated carbon were determined by Brunauer-Emmett-Teller (BET) surface area analyzer, and its surface area and pore volume were 255 m{sup 2}/g and 0.17 cm{sup 2}/g, respectively. The adsorption studies for the removal of Ni(II), Zn(II) and Pb(II) ions from single metal aqueous solution were carried out at a fixed initial concentration of metal ion (150 ppm) with variation amount of adsorbent (rice husk-based activated carbon) as a function of varied contact time at room temperature. The concentration of each metal ion was analyzed using atomic absorption spectrophotometer (AAS). The results obtained from adsorption studies indicate the potential of rice husk as an economically promising precursor for the preparation of activated carbon for removal of Ni(II), Zn(II) and Pb(II) ions from single aqueous solution. Isotherm and kinetic model analyses suggested that the experimental data of adsorption studies fitted well with Langmuir, Freundlich and second-order kinetic models.

13. Removal of Ni(II), Zn(II) and Pb(II) ions from single metal aqueous solution using rice husk-based activated carbon

Taha, Mohd F.; Shuib, Anis Suhaila; Shaharun, Maizatul S.; Borhan, Azry

2014-10-01

An attempt was made to investigate the potential of rice husk-based activated carbon as an alternative low-cost adsorbent for the removal of Ni(II), Zn(II) and Pb(II) ions from single aqueous solution. Rice husk-based activated carbon was prepared via treatment of rice husk with NaOH followed by the carbonization process at 400°C for 2 hours. Three samples, i.e. raw rice husk, rice husk treated with NaOH and rice husk-based activated carbon, were analyzed for their morphological characteristics using field-emission scanning electron microscope/energy dispersive X-ray (FESEM/EDX). These samples were also analyzed for their carbon, hydrogen, nitrogen, oxygen and silica contents using CHN elemental analyzer and FESEM/EDX. The porous properties of rice husk-based activated carbon were determined by Brunauer-Emmett-Teller (BET) surface area analyzer, and its surface area and pore volume were 255 m2/g and 0.17 cm2/g, respectively. The adsorption studies for the removal of Ni(II), Zn(II) and Pb(II) ions from single metal aqueous solution were carried out at a fixed initial concentration of metal ion (150 ppm) with variation amount of adsorbent (rice husk-based activated carbon) as a function of varied contact time at room temperature. The concentration of each metal ion was analyzed using atomic absorption spectrophotometer (AAS). The results obtained from adsorption studies indicate the potential of rice husk as an economically promising precursor for the preparation of activated carbon for removal of Ni(II), Zn(II) and Pb(II) ions from single aqueous solution. Isotherm and kinetic model analyses suggested that the experimental data of adsorption studies fitted well with Langmuir, Freundlich and second-order kinetic models.

14. First platinum moderated positron beam based on neutron capture

Hugenschmidt, C.; Kögel, G.; Repper, R.; Schreckenbach, K.; Sperr, P.; Triftshäuser, W.

2002-12-01

A positron beam based on absorption of high energy prompt γ-rays from thermal neutron capture in 113Cd was installed at a neutron guide of the high flux reactor at the ILL in Grenoble. Measurements were performed for various source geometries, dependent on converter mass, moderator surface and extraction voltages. The results lead to an optimised design of the in-pile positron source which will be implemented at the Munich research reactor FRM-II. The positron source consists of platinum foils acting as γ-e +e --converter and positron moderator. Due to the negative positron work function moderation in heated platinum leads to emission of monoenergetic positrons. The positron work function of polycrystalline platinum was determined to 1.95(5) eV. After acceleration to several keV by four electrical lenses the beam was magnetically guided in a solenoid field of 7.5 mT leading to a NaI-detector in order to detect the 511 keV γ-radiation of the annihilating positrons. The positron beam with a diameter of less than 20 mm yielded an intensity of 3.1×10 4 moderated positrons per second. The total moderation efficiency of the positron source was about ɛ=1.06(16)×10 -4. Within the first 20 h of operation a degradation of the moderation efficiency of 30% was observed. An annealing procedure at 873 K in air recovers the platinum moderator.

15. Beryllium Metal II. A Review of the Available Toxicity Data

PubMed Central

Strupp, Christian

2011-01-01

Beryllium metal was classified in Europe collectively with beryllium compounds, e.g. soluble salts. Toxicological equivalence was assumed despite greatly differing physicochemical properties. Following introduction of the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation, beryllium metal was classified as individual substance and more investigational efforts to appropriately characterize beryllium metal as a specific substance apart from soluble beryllium compounds was required. A literature search on toxicity of beryllium metal was conducted, and the resulting literature compiled together with the results of a recently performed study package into a comprehensive data set. Testing performed under Organisation for Economic Co-Operation and Development guidelines and Good Laboratory Practice concluded that beryllium metal was neither a skin irritant, an eye irritant, a skin sensitizer nor evoked any clinical signs of acute oral toxicity; discrepancies between the current legal classification of beryllium metal in the European Union (EU) and the experimental results were identified. Furthermore, genotoxicity and carcinogenicity were discussed in the context of the literature data and the new experimental data. It was concluded that beryllium metal is unlikely to be a classical nonthreshold mutagen. Effects on DNA repair and morphological cell transformation were observed but need further investigation to evaluate their relevance in vivo. Animal carcinogenicity studies deliver evidence of carcinogenicity in the rat; however, lung overload may be a species-specific confounding factor in the existing studies, and studies in other species do not give convincing evidence of carcinogenicity. Epidemiology has been intensively discussed over the last years and has the problem that the studies base on the same US beryllium production population and do not distinguish between metal and soluble compounds. It is noted that the correlation

16. Beryllium metal II. a review of the available toxicity data.

PubMed

Strupp, Christian

2011-01-01

Beryllium metal was classified in Europe collectively with beryllium compounds, e.g. soluble salts. Toxicological equivalence was assumed despite greatly differing physicochemical properties. Following introduction of the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation, beryllium metal was classified as individual substance and more investigational efforts to appropriately characterize beryllium metal as a specific substance apart from soluble beryllium compounds was required. A literature search on toxicity of beryllium metal was conducted, and the resulting literature compiled together with the results of a recently performed study package into a comprehensive data set. Testing performed under Organisation for Economic Co-Operation and Development guidelines and Good Laboratory Practice concluded that beryllium metal was neither a skin irritant, an eye irritant, a skin sensitizer nor evoked any clinical signs of acute oral toxicity; discrepancies between the current legal classification of beryllium metal in the European Union (EU) and the experimental results were identified. Furthermore, genotoxicity and carcinogenicity were discussed in the context of the literature data and the new experimental data. It was concluded that beryllium metal is unlikely to be a classical nonthreshold mutagen. Effects on DNA repair and morphological cell transformation were observed but need further investigation to evaluate their relevance in vivo. Animal carcinogenicity studies deliver evidence of carcinogenicity in the rat; however, lung overload may be a species-specific confounding factor in the existing studies, and studies in other species do not give convincing evidence of carcinogenicity. Epidemiology has been intensively discussed over the last years and has the problem that the studies base on the same US beryllium production population and do not distinguish between metal and soluble compounds. It is noted that the correlation

17. 40 CFR Appendix I to Part 266 - Tier I and Tier II Feed Rate and Emissions Screening Limits for Metals

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 26 2010-07-01 2010-07-01 false Tier I and Tier II Feed Rate and...—Tier I and Tier II Feed Rate and Emissions Screening Limits for Metals Table I-A—Tier I and Tier II Feed Rate and Emissions Screening Limits for Noncarcinogenic Metals for Facilities in...

18. Effect of biofilm coatings at metal-oxide/water interfaces II: Competitive sorption between Pb(II) and Zn(II) at Shewanella oneidensis/metal-oxide/water interfaces

DOE PAGES

Wang, Yingge; Gelabert, Alexandre; Michel, F. Marc; ...

2016-05-07

Competitive sorption of Pb(II) and Zn(II) on Shewanella oneidensis MR-1 biofilm-coated single-crystal α-Al2O3 (1 –1 0 2) and α-Fe2O3 (0 0 0 1) surfaces was investigated using long-period X-ray standing wave-florescence yield (LP-XSW-FY) spectroscopy. In situ partitioning of aqueous Pb(II) and Zn(II) between the biofilms and underlying metal-oxide substrates was probed following exposure of these complex interfaces to equi-molar Pb and Zn solutions (0.01 M NaNO3 as background electrolyte, pH = 6.0, and 3-h equilibration time). At higher Pb and Zn concentrations (≥10–5 M), more than 99% of these ions partitioned into the biofilms at S. oneidensis/α-Al2O3 (1 –1 0more » 2)/water interfaces, which is consistent with the partitioning behavior of both Pb(II) or Zn(II) in single-metal-ion experiments. Furthermore, no apparent competitive effects were found in this system at these relatively high metal-ion concentrations. However, at lower equi-molar concentrations (≤10–6 M), Pb(II) and Zn(II) partitioning in the same system changed significantly compared to the single-metal-ion systems. The presence of Zn(II) decreased Pb(II) partitioning onto α-Al2O3 (1 –1 0 2) substantially (~52% to ~13% at 10–7 M, and ~23% to ~5% at 10–6 M), whereas the presence of Pb(II) caused more Zn(II) to partition onto α-Al2O3 (1 –1 0 2) surfaces (~15% to ~28% at 10–7 M, and ~1% to ~7% at 10–6 M) .The higher observed partitioning of Zn(II) (~28%) at the α-Al2O3 (1 –1 0 2) surfaces compared to Pb(II) (~13%) in the mixed-metal-ion systems at the lowest concentration (10–7 M) suggests that Zn(II) is slightly favored over Pb(II) for sorption sites on α-Al2O3 (1 –1 0 2) surfaces under our experimental conditions.« less

19. Positron states and annihilation characteristics of surface-trapped positrons at the oxidized Cu(110) surface

Fazleev, N. G.; Olenga, Antoine; Weiss, A. H.

2013-03-01

The process by which oxide layers are formed on metal surfaces is still not well understood. In this work we present the results of theoretical studies of positron states and annihilation characteristics of surface-trapped positrons at the oxidized Cu(110) surface. An ab-initio investigation of stability and associated electronic properties of different adsorption phases of oxygen on Cu(110) has been performed on the basis of density functional theory and using DMOl3 code. The changes in the positron work function and the surface dipole moment when oxygen atoms occupy on-surface and sub-surface sites have been attributed to charge redistribution within the first two layers, buckling effects within each layer and interlayer expansion. The computed positron binding energy, positron surface state wave function, and annihilation probabilities of surface trapped positrons with relevant core electrons demonstrate their sensitivity to oxygen coverage, elemental content, atomic structure of the topmost layers of surfaces, and charge transfer effects. Theoretical results are compared with experimental data obtained from studies of oxidized transition metal surfaces using positron annihilation induced Auger electron spectroscopy. This work was supported in part by the National Science Foundation Grant DMR-0907679.

20. Design, spectral characterization and biological studies of transition metal(II) complexes with triazole Schiff bases

2013-03-01

A new series of three biologically active triazole derived Schiff base ligands L1-L3 have been synthesized in equimolar reaction of 3-amino-1H-1,2,4-triazole with pyrrol-2-carboxaldehyde, 4-bromo-thiophene-2-carboxaldehyde, and 5-iodo-2-hydroxy benzaldehyde. The prepared Schiff bases were used for further complex formation reaction with different metal elements like Co(II), Ni(II), Cu(II) and Zn(II) as chlorides by using a molar ratio of ligand:metal as 2:1. The structure and bonding nature of all the compounds were identified by their physical, spectral and analytical data. All the metal(II) complexes possessed an octahedral geometry except the Cu(II) complexes which showed a distorted octahedral geometry. All the synthesized compounds, were studied for their in vitro antibacterial, and antifungal activities, against four Gram-negative (Escherichia coli, Shigella sonnei, Pseudomonas aeruginosa and Salmonella typhi) and two Gram-positive (Bacillus subtilis and Staphylococcus aureus) bacterial strains and against six fungal strains (Trichophyton longifusus, Candida albicans, Aspergillus flavus, Microsporum canis, Fusarium solani and Candida glabrata) by using agar-well diffusion method. It has been shown that all the synthesized compounds showed moderate to significant antibacterial activity against one or more bacterial strains. In vitro Brine Shrimp bioassay was also carried out to investigate the cytotoxic properties of these compounds. The data also revealed that the metal complexes showed better activity than the ligands due to chelation/coordination.

1. Design, spectral characterization and biological studies of transition metal(II) complexes with triazole Schiff bases.

PubMed

2013-03-01

A new series of three biologically active triazole derived Schiff base ligands L(1)-L(3) have been synthesized in equimolar reaction of 3-amino-1H-1,2,4-triazole with pyrrol-2-carboxaldehyde, 4-bromo-thiophene-2-carboxaldehyde, and 5-iodo-2-hydroxy benzaldehyde. The prepared Schiff bases were used for further complex formation reaction with different metal elements like Co(II), Ni(II), Cu(II) and Zn(II) as chlorides by using a molar ratio of ligand:metal as 2:1. The structure and bonding nature of all the compounds were identified by their physical, spectral and analytical data. All the metal(II) complexes possessed an octahedral geometry except the Cu(II) complexes which showed a distorted octahedral geometry. All the synthesized compounds, were studied for their in vitro antibacterial, and antifungal activities, against four Gram-negative (Escherichia coli, Shigella sonnei, Pseudomonas aeruginosa and Salmonella typhi) and two Gram-positive (Bacillus subtilis and Staphylococcus aureus) bacterial strains and against six fungal strains (Trichophyton longifusus, Candida albicans, Aspergillus flavus, Microsporum canis, Fusarium solani and Candida glabrata) by using agar-well diffusion method. It has been shown that all the synthesized compounds showed moderate to significant antibacterial activity against one or more bacterial strains. In vitro Brine Shrimp bioassay was also carried out to investigate the cytotoxic properties of these compounds. The data also revealed that the metal complexes showed better activity than the ligands due to chelation/coordination.

2. Use of Divalent Metal Ions in the DNA Cleavage Reaction of Human Type II Topoisomerases†

PubMed Central

Deweese, Joseph E.; Burch, Amber M.; Burgin, Alex B.; Osheroff, Neil

2009-01-01

All type II topoisomerases require divalent metal ions in order to cleave and ligate DNA. In order to further elucidate the mechanistic basis for these critical enzyme-mediated events, the role of the metal ion in the DNA cleavage reaction of human topoisomerase IIβ was characterized and compared to that of topoisomerase IIα. The present study utilized divalent metal ions with varying thiophilicities in conjunction with DNA cleavage substrates that substituted a sulfur atom for the 3′-bridging oxygen or the non-bridging oxygens of the scissile phosphate. Based on time courses of DNA cleavage, cation titrations, and metal ion mixing experiments, we propose the following model for the use of divalent metal ions by human type II topoisomerases. First, both enzymes employ a two-metal-ion mechanism to support DNA cleavage. Second, an interaction between one divalent metal ion and the 3′-bridging atom of the scissile phosphate greatly enhances enzyme-mediated DNA cleavage, most likely by stabilizing the leaving 3′-oxygen. Third, there is an important interaction between a divalent second metal ion and a non-bridging atom of the scissile phosphate that stimulates DNA cleavage mediated by topoisomerase IIβ. If this interaction exists in topoisomerase IIα, its effects on DNA cleavage are equivocal. This last aspect of the model highlights a difference in metal ion utilization during DNA cleavage mediated by human topoisomerase IIα and IIβ. PMID:19222228

3. Electron capture from solids by positrons

SciTech Connect

Howell, R.

1987-08-01

The capture of electrons in solids is modified from that in gasses by several factors. The most important is the collective interaction of the electrons which results in a density of electron states in the solid in wide bands. Also the high density of electrons in many solids gives a high frequency of interaction as compared to gasses, and quickly destroys any electron-positron states in the metal matrix. Consequently, most positrons implanted in a metal will rapidly thermalize, and unless they reach the surface will annihilate with an electron in an uncorrelated state. Positronium formation from positrons scattered at a metal surface is analogous to ion neutralization however, most of the positronium comes from positrons passing through the surface from the bulk. The dominant motivation for studying positronium formation has been the hope that the distribution of the electrons at the surface would be obtained through the annihilation properties of positrons trapped at the surface or through analysis of the energy and angular distributions of the positronium emitted into the vacuum. These distributions have been measured and are included in this paper. 17 refs.

4. Applications of positron annihilation spectroscopy in materials research

NASA Technical Reports Server (NTRS)

Singh, Jag J.

1988-01-01

Positron Annihilation Spectroscopy (PAS) has emerged as a powerful technique for research in condensed matter. It has been used extensively in the study of metals, ionic crystals, glasses and polymers. The present review concentrates on applications of positron lifetime measurements for elucidation of the physicochemical structure of polymers.

5. Positron-rubidium scattering

NASA Technical Reports Server (NTRS)

Mceachran, R. P.; Horbatsch, M.; Stauffer, A. D.

1990-01-01

A 5-state close-coupling calculation (5s-5p-4d-6s-6p) was carried out for positron-Rb scattering in the energy range 3.7 to 28.0 eV. In contrast to the results of similar close-coupling calculations for positron-Na and positron-K scattering the (effective) total integrated cross section has an energy dependence which is contrary to recent experimental measurements.

6. Stellar kinematics and metallicities in the ultra-faint dwarf galaxy Reticulum II

SciTech Connect

Simon, J. D.

2015-07-23

With this study, we present Magellan/M2FS, Very Large Telescope/GIRAFFE, and Gemini South/GMOS spectroscopy of the newly discovered Milky Way satellite Reticulum II. Based on the spectra of 25 Ret II member stars selected from Dark Energy Survey imaging, we measure a mean heliocentric velocity of $62.8\\pm 0.5\\;\\mathrm{km}\\;{\\rm{s}}^{-1}$ and a velocity dispersion of $3.3\\pm 0.7\\;\\mathrm{km}\\;{\\rm{s}}^{-1}$. The mass-to-light ratio of Ret II within its half-light radius is $470\\pm 210\\ {M}_{\\odot }/{L}_{\\odot }$, demonstrating that it is a strongly dark matter-dominated system. Despite its spatial proximity to the Magellanic Clouds, the radial velocity of Ret II differs from that of the LMC and SMC by 199 and 83 $\\mathrm{km}\\ {{\\rm{s}}}^{-1}$, respectively, suggesting that it is not gravitationally bound to the Magellanic system. The likely member stars of Ret II span 1.3 dex in metallicity, with a dispersion of 0.28 ± 0.09 dex, and we identify several extremely metal-poor stars with ${\\rm{[Fe/H]}}\\lt -3$. In combination with its luminosity, size, and ellipticity, these results confirm that Ret II is an ultra-faint dwarf galaxy. With a mean metallicity of ${\\rm{[Fe/H]}}=-2.65\\pm 0.07$, Ret II matches Segue 1 as the most metal-poor galaxy known. Although Ret II is the third-closest dwarf galaxy to the Milky Way, the line-of-sight integral of the dark matter density squared is ${\\mathrm{log}}_{10}(J)=18.8\\pm 0.6\\;\\;\\mathrm{GeV}{\\;}^{2}\\;{\\mathrm{cm}}^{-5}\\;$ within 0fdg2, indicating that the predicted gamma-ray flux from dark matter annihilation in Ret II is lower than that of several other dwarf galaxies.

7. Stellar Kinematics and Metallicities in the Ultra-faint Dwarf Galaxy Reticulum II

Simon, J. D.; Drlica-Wagner, A.; Li, T. S.; Nord, B.; Geha, M.; Bechtol, K.; Balbinot, E.; Buckley-Geer, E.; Lin, H.; Marshall, J.; Santiago, B.; Strigari, L.; Wang, M.; Wechsler, R. H.; Yanny, B.; Abbott, T.; Bauer, A. H.; Bernstein, G. M.; Bertin, E.; Brooks, D.; Burke, D. L.; Capozzi, D.; Carnero Rosell, A.; Carrasco Kind, M.; D'Andrea, C. B.; da Costa, L. N.; DePoy, D. L.; Desai, S.; Diehl, H. T.; Dodelson, S.; Cunha, C. E.; Estrada, J.; Evrard, A. E.; Fausti Neto, A.; Fernandez, E.; Finley, D. A.; Flaugher, B.; Frieman, J.; Gaztanaga, E.; Gerdes, D.; Gruen, D.; Gruendl, R. A.; Honscheid, K.; James, D.; Kent, S.; Kuehn, K.; Kuropatkin, N.; Lahav, O.; Maia, M. A. G.; March, M.; Martini, P.; Miller, C. J.; Miquel, R.; Ogando, R.; Romer, A. K.; Roodman, A.; Rykoff, E. S.; Sako, M.; Sanchez, E.; Schubnell, M.; Sevilla, I.; Smith, R. C.; Soares-Santos, M.; Sobreira, F.; Suchyta, E.; Swanson, M. E. C.; Tarle, G.; Thaler, J.; Tucker, D.; Vikram, V.; Walker, A. R.; Wester, W.; DES Collaboration

2015-07-01

We present Magellan/M2FS, Very Large Telescope/GIRAFFE, and Gemini South/GMOS spectroscopy of the newly discovered Milky Way satellite Reticulum II. Based on the spectra of 25 Ret II member stars selected from Dark Energy Survey imaging, we measure a mean heliocentric velocity of 62.8+/- 0.5 {km} {{{s}}}-1 and a velocity dispersion of 3.3+/- 0.7 {km} {{{s}}}-1. The mass-to-light ratio of Ret II within its half-light radius is 470+/- 210 {M}⊙ /{L}⊙ , demonstrating that it is a strongly dark matter-dominated system. Despite its spatial proximity to the Magellanic Clouds, the radial velocity of Ret II differs from that of the LMC and SMC by 199 and 83 {km} {{{s}}}-1, respectively, suggesting that it is not gravitationally bound to the Magellanic system. The likely member stars of Ret II span 1.3 dex in metallicity, with a dispersion of 0.28 ± 0.09 dex, and we identify several extremely metal-poor stars with {{[Fe/H]}}\\lt -3. In combination with its luminosity, size, and ellipticity, these results confirm that Ret II is an ultra-faint dwarf galaxy. With a mean metallicity of {{[Fe/H]}}=-2.65+/- 0.07, Ret II matches Segue 1 as the most metal-poor galaxy known. Although Ret II is the third-closest dwarf galaxy to the Milky Way, the line-of-sight integral of the dark matter density squared is {{log}}10(J)=18.8+/- 0.6 {GeV}{ }2 {{cm}}-5 within 0.°2, indicating that the predicted gamma-ray flux from dark matter annihilation in Ret II is lower than that of several other dwarf galaxies. Based on data obtained from the ESO Science Archive Facility under request number 157689.

8. Metal-Based Antibacterial and Antifungal Agents: Synthesis, Characterization, and In Vitro Biological Evaluation of Co(II), Cu(II), Ni(II), and Zn(II) Complexes With Amino Acid-Derived Compounds

PubMed Central

Chohan, Zahid H.; Arif, M.; Akhtar, Muhammad A.; Supuran, Claudiu T.

2006-01-01

A series of antibacterial and antifungal amino acid-derived compounds and their cobalt(II), copper(II), nickel(II), and zinc(II) metal complexes have been synthesized and characterized by their elemental analyses, molar conductances, magnetic moments, and IR, and electronic spectral measurements. Ligands (L1)−(L5) were derived by condensation of β-diketones with glycine, phenylalanine, valine, and histidine and act as bidentate towards metal ions (cobalt, copper, nickel, and zinc) via the azomethine-N and deprotonated-O of the respective amino acid. The stoichiometric reaction between the metal(II) ion and synthesized ligands in molar ratio of M : L (1 : 1) resulted in the formation of the metal complexes of type [M(L)(H2O)4]Cl (where M = Co(II), Cu(II), and Zn(II)) and of M : L (1 : 2) of type [M(L)2(H2O)2] (where M = Co(II), Cu(II), Ni(II), and Zn(II)). The magnetic moment data suggested for the complexes to have an octahedral geometry around the central metal atom. The electronic spectral data also supported the same octahedral geometry of the complexes. Elemental analyses and NMR spectral data of the ligands and their metal(II) complexes agree with their proposed structures. The synthesized ligands, along with their metal(II) complexes, were screened for their in vitro antibacterial activity against four Gram-negative (Escherichia coli, Shigella flexeneri, Pseudomonas aeruginosa, and Salmonella typhi) and two Gram-positive (Bacillus subtilis and Staphylococcus aureus) bacterial strains and for in vitro antifungal activity against Trichophyton longifusus, Candida albicans, Aspergillus flavus, Microsporum canis, Fusarium solani, and Candida glaberata. The results of these studies show the metal(II) complexes to be more antibacterial/antifungal against one or more species as compared to the uncomplexed ligands. The brine shrimp bioassay was also carried out to study their in vitro cytotoxic properties. Five compounds, (3), (7), (10), (11), and (22), displayed

9. The metallomics approach: use of Fe(II) and Cu(II) footprinting to examine metal binding sites on serum albumins.

PubMed

Duff, Michael R; Kumar, Challa V

2009-11-01

Metal binding to serum albumins is examined by oxidative protein-cleavage chemistry, and relative affinities of multiple metal ions to particular sites on these proteins were identified using a fast and reliable chemical footprinting approach. Fe(ii) and Cu(ii), for example, mediate protein cleavage at their respective binding sites on serum albumins, in the presence of hydrogen peroxide and ascorbate. This metal-mediated protein-cleavge reaction is used to evaluate the binding of metal ions, Na(+), Mg(2+), Ca(2+), Al(3+), Cr(3+), Mn(2+), Co(2+), Ni(2+), Zn(2+), Cd(2+), Hg(2+), Pb(2+), and Ce(3+) to albumins, and the relative affinities (selectivities) of the metal ions are rapidly evaluated by examining the extent of inhibition of protein cleavage. Four distinct systems Fe(II)/BSA, Cu(II)/BSA, Fe(II)/HSA and Cu(II)/HSA are examined using the above strategy. This metallomics approach is novel, even though the cleavage of serum albumins by Fe(II)/Cu(II) has been reported previously by this laboratory and many others. The protein cleavage products were analyzed by SDS PAGE, and the intensities of the product bands quantified to evaluate the extent of inhibition of the cleavage and thereby evaluate the relative binding affinities of specific metal ions to particular sites on albumins. The data show that Co(II) and Cr(III) showed the highest degree of inhibition, across the table, followed by Mn(II) and Ce(III). Alakali metal ions and alkaline earth metal ions showed very poor affinity for these metal sites on albumins. Thus, metal binding profiles for particular sites on proteins can be obtained quickly and accurately, using the metallomics approach.

10. Sensitivity of positron annihilation to hydrogen in Zr

SciTech Connect

Hood, G.M.; Schultz, R.J.

1982-01-01

Positron annihilation spectroscopy has been applied to the quantitative determination of hydrogen in zirconium. The sensitivity of the positron annihilation was noted to be influenced not only by the presence of hydrogen but also by the heat treatment of the hydrided samples. The positron is attracted to the relatively negative, or ion-core-deficient regions of the metal, F regions commonly associated with vacancies, voids and dislocations. It was found to be very difficult to gauge the relative effects which hydrides and dislocations might have on the positron annihilation in zirconium. (BLM)

11. Transition Metal(II) Complexes with Cefotaxime-Derived Schiff Base: Synthesis, Characterization, and Antimicrobial Studies

PubMed Central

Amzoiu, Emilia; Spînu, Cezar Ionuţ

2014-01-01

New [ML2(H2O)2] complexes, where M = Co(II), Ni(II), Cu(II), and Zn(II) while L corresponds to the Schiff base ligand, were synthesized by condensation of cefotaxime with salicylaldehyde in situ in the presence of divalent metal salts in ethanolic medium. The complexes were characterized by elemental analyses, conductance, and magnetic measurements, as well as by IR and UV-Vis spectroscopy. The low values of the molar conductance indicate nonelectrolyte type of complexes. Based on spectral data and magnetic moments, an octahedral geometry may be proposed for Co(II), Ni(II), and Zn(II) complexes while a tetragonal geometry for Cu(II) complex. Molecular structure of the Schiff base ligand and its complexes were studied using programs dedicated to chemical modeling and quantomolecular calculation of chemical properties. All the synthesized complexes were tested for in vitro antibacterial activity against some pathogenic bacterial strains, namely Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa, Bacillus subtilis, and Staphylococcus aureus. The MIC values shown by the complexes against these bacterial strains revealed that the metal complexes possess superior antibacterial activity than the Schiff base. PMID:24688454

12. Measuring positron-atom binding energies through laser-assisted photorecombination

Surko, C. M.; Danielson, J. R.; Gribakin, G. F.; Continetti, R. E.

2012-06-01

Described here is a proposed experiment to use laser-assisted photorecombination of positrons from a trap-based beam and metal atoms in the gas phase to measure positron-atom binding energies. Signal rates are estimated, based in part upon experience studying resonant annihilation spectra using a trap-based positron beam.

13. INTEGRAL FIELD SPECTROSCOPY OF SUPERNOVA EXPLOSION SITES: CONSTRAINING THE MASS AND METALLICITY OF THE PROGENITORS. II. TYPE II-P AND II-L SUPERNOVAE

SciTech Connect

Kuncarayakti, Hanindyo; Maeda, Keiichi; Doi, Mamoru; Morokuma, Tomoki; Hashiba, Yasuhito; Aldering, Greg; Arimoto, Nobuo; Pereira, Rui

2013-08-01

Thirteen explosion sites of Type II-P and II-L supernovae (SNe) in nearby galaxies have been observed using integral field spectroscopy, enabling both spatial and spectral study of the explosion sites. We used the properties of the parent stellar population of the coeval SN progenitor star to derive its metallicity and initial mass. The spectrum of the parent stellar population yields estimates of metallicity via the strong-line method and age via a comparison with simple stellar population models. These metallicity and age parameters are adopted for the progenitor star. Age, or lifetime of the star, was used to derive the initial (zero-age main sequence) mass of the star using comparisons with stellar evolution models. With this technique, we were able to determine the metallicities and initial masses of the SN progenitors in our sample. Our results indicate that some Type II SN progenitors may have been stars with masses comparable to those of SN Ib/c progenitors.

14. Theoretical calculation of positron affinities of solute clusters in aluminum alloys

Mizuno, Masataka; Araki, Hideki; Shirai, Yasuharu

2016-01-01

We have performed theoretical calculations of positron states for solute clusters in aluminum alloys to estimate the positron affinity of solute clusters. Positron states of solute clusters in aluminum alloys were calculated under the electronic structures obtained by first- principles molecular orbital calculations using Al158-X13 clusters. We defined the positron affinity of the solute clusters by the difference in the lowest potential sensed by positrons between the solute clusters and Al bulk. With increasing atomic number of 3d metals, the annihilation fraction of the solute clusters rapidly increases at Mn and shows a maximum at Ni. A similar trend is observed for 4d metals. The localization of positron at the solute clusters mainly arises from charge transfer from Al matrix to solute clusters. The positron affinity defined in this work well represents the localization of positron at the solute clusters in aluminum alloys.

15. Positron microprobe at LLNL

SciTech Connect

Asoka, P; Howell, R; Stoeffl, W

1998-11-01

The electron linac based positron source at Lawrence Livermore National Laboratory (LLNL) provides the world's highest current beam of keV positrons. We are building a positron microprobe that will produce a pulsed, focused positron beam for 3-dimensional scans of defect size and concentration with sub-micron resolution. The widely spaced and intense positron packets from the tungsten moderator at the end of the 100 MeV LLNL linac are captured and trapped in a magnetic bottle. The positrons are then released in 1 ns bunches at a 20 MHz repetition rate. With a three-stage re-moderation we will compress the cm-sized original beam to a 1 micro-meter diameter final spot on the target. The buncher will compress the arrival time of positrons on the target to less than 100 ps. A detector array with up to 60 BaF2 crystals in paired coincidence will measure the annihilation radiation with high efficiency and low background. The energy of the positrons can be varied from less than 1 keV up to 50 keV.

16. Positrons in surface physics

Hugenschmidt, Christoph

2016-12-01

Within the last decade powerful methods have been developed to study surfaces using bright low-energy positron beams. These novel analysis tools exploit the unique properties of positron interaction with surfaces, which comprise the absence of exchange interaction, repulsive crystal potential and positron trapping in delocalized surface states at low energies. By applying reflection high-energy positron diffraction (RHEPD) one can benefit from the phenomenon of total reflection below a critical angle that is not present in electron surface diffraction. Therefore, RHEPD allows the determination of the atom positions of (reconstructed) surfaces with outstanding accuracy. The main advantages of positron annihilation induced Auger-electron spectroscopy (PAES) are the missing secondary electron background in the energy region of Auger-transitions and its topmost layer sensitivity for elemental analysis. In order to enable the investigation of the electron polarization at surfaces low-energy spin-polarized positrons are used to probe the outermost electrons of the surface. Furthermore, in fundamental research the preparation of well defined surfaces tailored for the production of bound leptonic systems plays an outstanding role. In this report, it is envisaged to cover both the fundamental aspects of positron surface interaction and the present status of surface studies using modern positron beam techniques.

17. Correlation of soft magnetic properties with free volume and medium range ordering in metallic glasses probed by fluctuation microscopy and positron annihilation technique

Srivastava, A. P.; Srivastava, D.; Sudarshan, K.; Sharma, S. K.; Pujari, P. K.; Majumdar, B.; Suresh, K. G.; Dey, G. K.

2012-08-01

Amorphous ribbons of different thicknesses of Co64.5Fe3.5Si16B14Ni2 alloy were synthesized using the melt spinning technique by varying wheel speed. The effect of cooling rate on the ribbon thickness and their soft magnetic properties have been studied. The amorphous structure has been characterized in terms of structural free volume and medium range order (MRO) by positron annihilation spectroscopy and fluctuation electron microscopy techniques. Positron lifetime spectra of amorphous samples showed two lifetime components. The first component was found to be correlated with MRO whereas, the second lifetime component was found to be associated with nanovoid type of defects, and the second component was strongly dependent on processing conditions. It could be established that the coercivity of the amorphous samples produced by the rapid solidification technique mainly depends on the defects formed during processing rather than change induced in MRO.

18. Self-assembled biomimetic nanoreactors II: Noble metal active centers

McTaggart, Matt; Malardier-Jugroot, Cecile; Jugroot, Manish

2015-09-01

The structure and stability of polymer-metal nanoreactors is detailed, including a complete characterization of the first successful synthesis of stable, dispersible, atomically thin gold nanosheets. Further developments in the synthesis of monodisperse, ∼2.5 nm platinum nanoclusters in aqueous solution and ambient conditions are described and pH stability of the composite material is established. The facile nanoreactor synthesis, environmentally friendly reaction conditions, and structural stability makes these biomimetic systems attractive for applications ranging from chemical detoxification to nanoelectronics.

19. Oligomerization of glycine and alanine on metal(II) octacynaomolybdate(IV): role of double metal cyanides in prebiotic chemistry.

PubMed

Kumar, Anand; Kamaluddin

2012-12-01

Condensation reactions of amino acid (glycine and alanine) on the surface of metal(II) octacyanomolybdate(IV) (MOCMo) complexes are investigated using high-performance liquid chromatography (HPLC) and electron spray ionizations-mass spectroscopy (ESI-MS). The series of MOCMo have been synthesized and the effect of outer sphere metal ions present in the MOCMo on the oligomerization of glycine and alanine at different temperature and time found out. Formation of peptides was observed to start after 7 days at 60 °C. Maximum yield of peptides was found after 35 days at 90 °C. It has been found that zinc(II) octacyanomolybdate(IV) and cobalt(II) were the most effective metal cations present in outer sphere of the MOCMo for the production of high yield of oligomerized products. Surface area of MOCMo seems to play dominating parameter for the oligomerization of alanine and glycine. The results of the present study reveal the role of MOCMo in chemical evolution for the oligomerization of biomolecules.

20. The application of positron emission tomography (PET/CT) in diagnosis of breast cancer. Part II. Diagnosis after treatment initiation, future perspectives

PubMed Central

Jodłowska, Elżbieta; Czarnywojtek, Agata; Rewers, Amanda; Jarząbek, Grażyna; Kędzia, Witold; Ruchała, Marek

2016-01-01

Similarly to the applications described in the first part of this publication, positron emission tomography with computed tomography (PET/CT) is also gaining importance in monitoring a tumour's response to therapy and diagnosing breast cancer recurrences. This is additionally caused by the fact that many new techniques (dual-time point imaging, positron emission tomography with magnetic resonance PET/MR, PET/CT mammography) and radiotracers (16α-18F-fluoro-17β-estradiol, 18F-fluorothymidine) are under investigation. The highest sensitivity and specificity when monitoring response to treatment is achieved when the PET/CT scan is made after one or two chemotherapy courses. Response to anti-hormonal treatment can also be monitored, also when new radiotracers, such as FES, are used. When monitoring breast cancer recurrences during follow-up, PET/CT has higher sensitivity than conventional imaging modalities, making it possible to monitor the whole body simultaneously. New techniques and radiotracers enhance the sensitivity and specificity of PET and this is why, despite relatively high costs, it might become more widespread in monitoring response to treatment and breast cancer recurrences. PMID:27647983

1. Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra

SciTech Connect

Keates, Adam C.; Wang, Qianlong; Weller, Mark T.

2014-02-15

Single crystal and bulk polycrystalline forms of K{sub 2}MP{sub 2}O{sub 7} (M=Fe(II), Cu(II)) have been synthesised and their structures determined from single crystal X-ray diffraction data. Both compounds crystallize in the tetragonal system, space group P-42{sub 1}m. Their structures are formed from infinite sheets of linked oxopolyhedra of the stoichiometry [MP{sub 2}O{sub 7}]{sup 2−} with potassium cations situated between the layers. The MO{sub 4} tetrahedra share oxygen atoms with [P{sub 2}O{sub 7}]{sup 4−} diphosphate groups and the potassium ions have KO{sub 8} square prismatic geometry. In both compounds the M(II) centre has an unusual strongly flattened, tetrahedral coordination to oxygen, as a result of the Jahn–Teller (JT) effect for the high spin d{sup 6} Fe(II) and p-orbital mixing or a second order JT effect for d{sup 9} Cu(II) centres in four fold coordination. The uncommon transition metal ion environments found in these materials are reflected in their optical absorption spectra and magnetism data. - Graphical abstract: The structures of the tetragonal polymorphs of K{sub 2}MP{sub 2}O{sub 7}, M=Cu(II), Fe(II), consist of infinite sheets of stoichiometry [MP{sub 2}O{sub 7}]{sup 2−}, formed from linked pyrophosphate groups and MO{sub 4} tetrahedra, separated by potassium ions. In both compounds the unusual tetrahedral coordination of the M(II) centre is strongly flattened as a result of Jahn–Teller (JT) effects for high spin, d{sup 6} Fe(II) and p-orbital mixing and second-order JT effects for d{sup 9} Cu(II). Display Omitted - Highlights: • Tetrahedral copper and iron(II) coordinated by oxygen. • New layered phosphate structure. • Jahn–Teller and d{sup 10} distorted coordinations.

2. Biochemical and structural characterization of Salmonella typhimurium glyoxalase II: new insights into metal ion selectivity.

PubMed

Campos-Bermudez, Valeria A; Leite, Ney Ribeiro; Krog, Renata; Costa-Filho, Antonio J; Soncini, Fernando C; Oliva, Glaucius; Vila, Alejandro J

2007-10-02

Glyoxalase II is a hydrolytic enzyme part of the glyoxalase system, responsible for detoxifying several cytotoxic compounds employing glutathione. Glyoxalase II belongs to the superfamily of metallo-beta-lactamases, with a conserved motif able to bind up to two metal ions in their active sites, generally zinc. Instead, several eukaryotic glyoxalases II have been characterized with different ratios of iron, zinc, and manganese ions. We have expressed a gene coding for a putative member of this enzyme superfamily from Salmonella typhimurium that we demonstrate, on the basis of its activity, to be a glyoxalase II, named GloB. Recombinant GloB expressed in Escherichia coli was purified with variable amounts of iron, zinc, and manganese. All forms display similar activities, as can be shown from protein expression in minimal medium supplemented with specific metal ions. The crystal structure of GloB solved at 1.4 A shows a protein fold and active site similar to those of its eukaryotic homologues. NMR and EPR experiments also reveal a conserved electronic structure at the metal site. GloB is therefore able to accommodate these different metal ions and to carry out the hydrolytic reaction with similar efficiencies in all cases. The metal promiscuity of this enzyme (in contrast to other members of the same superfamily) can be accounted for by the presence of a conserved Asp residue acting as a second-shell ligand that is expected to increase the hardness of the metal binding site, therefore favoring iron uptake in glyoxalases II.

3. Positrons for linear colliders

SciTech Connect

Ecklund, S.

1987-11-01

The requirements of a positron source for a linear collider are briefly reviewed, followed by methods of positron production and production of photons by electromagnetic cascade showers. Cross sections for the electromagnetic cascade shower processes of positron-electron pair production and Compton scattering are compared. A program used for Monte Carlo analysis of electromagnetic cascades is briefly discussed, and positron distributions obtained from several runs of the program are discussed. Photons from synchrotron radiation and from channeling are also mentioned briefly, as well as positron collection, transverse focusing techniques, and longitudinal capture. Computer ray tracing is then briefly discussed, followed by space-charge effects and thermal heating and stress due to showers. (LEW)

4. Triangulum II: A Very Metal-poor and Dynamically Hot Stellar System

Martin, Nicolas F.; Ibata, Rodrigo A.; Collins, Michelle L. M.; Rich, R. Michael; Bell, Eric F.; Ferguson, Annette M. N.; Laevens, Benjamin P. M.; Rix, Hans-Walter; Chapman, Scott C.; Koch, Andreas

2016-02-01

We present a study of the recently discovered compact stellar system Triangulum II. From observations conducted with the DEIMOS spectrograph on Keck II, we obtained spectra for 13 member stars that follow the CMD features of this very faint stellar system and include two bright red giant branch stars. Tri II has a very negative radial velocity (< {v}{{r}}> =-{383.7}-3.3+3.0 {km} {{{s}}}-1) that translates to < {v}{{r},{gsr}}> ≃ -264 {km} {{{s}}}-1 and confirms it is a Milky Way satellite. We show that, despite the small data set, there is evidence that Tri II has complex internal kinematics. Its radial velocity dispersion increases from {4.4}-2.0+2.8 {km} {{{s}}}-1 in the central 2\\prime to {14.1}-4.2+5.8 {km} {{{s}}}-1 outwards. The velocity dispersion of the full sample is inferred to be {σ }{vr}={9.9}-2.2+3.2 {km} {{{s}}}-1. From the two bright RGB member stars we measure an average metallicity < {{[Fe/H]}}> =-2.6+/- 0.2, placing Tri II among the most metal-poor Milky Way dwarf galaxies. In addition, the spectra of the fainter member stars exhibit differences in their line widths that could be the indication of a metallicity dispersion in the system. All these properties paint a complex picture for Tri II, whose nature and current state are largely speculative. The inferred metallicity properties of the system however lead us to favor a scenario in which Tri II is a dwarf galaxy that is either disrupting or embedded in a stellar stream.

5. Positron studies in catalysis research. Final report, September 1993-- May 1995

SciTech Connect

1996-05-01

During the past 20 months, we have completed our positron microscope and performed several studies in our nonmicroscopic depth-profiling positron spectrometer which should ultimately be applicable to catalysis. These studies involve using depth-profiled positron spectrometers to observe the growth dynamics of metal silicides on silicon substrates and to observe defects in glassy polymer surfaces and thin films, and the use of bulk positron lifetime measurements to observe pore-size variations in zeolites.

6. Metal-dependent inhibition of glyoxalase II: a possible mechanism to regulate the enzyme activity.

PubMed

Campos-Bermudez, Valeria A; Morán-Barrio, Jorgelina; Costa-Filho, Antonio J; Vila, Alejandro J

2010-07-01

Glyoxalase II (GLX2, EC 3.1.2.6., hydroxyacylglutathione hydrolase) is a metalloenzyme involved in crucial detoxification pathways. Different studies have failed in identifying the native metal ion of this enzyme, which is expressed with iron, zinc and/or manganese. Here we report that GloB, the GLX2 from Salmonella typhimurium, is differentially inhibited by glutathione (a reaction product) depending on the bound metal ion, and we provide a structural model for this inhibition mode. This metal-dependent inhibition was shown to occur in metal-enriched forms of the enzyme, complementing the spectroscopic data. Based on the high levels of free glutathione in the cell, we suggest that the expression of the different metal forms of GLX2 during Salmonella infection could be exploited as a mechanism to regulate the enzyme activity.

7. Physicochemical impact studies of gamma rays on "aspirin" analgesics drug and its metal complexes in solid form: Synthesis, spectroscopic and biological assessment of Ca(II), Mg(II), Sr(II) and Ba(II) aspirinate complexes

Refat, Moamen S.; Sharshar, T.; Elsabawy, Khaled M.; Heiba, Zein K.

2013-09-01

Metal aspirinate complexes, M2(Asp)4, where M is Mg(II), Ca(II), Sr(II) or Ba(II) are formed by refluxed of aspirin (Asp) with divalent non-transition metal ions of group (II) and characterized by elemental analysis and spectroscopic measurements (infrared, electronic, 1H NMR, Raman, X-ray powder diffraction and scanning electron microscopy). Elemental analysis of the chelates suggests the stoichiometry is 1:2 (metal:ligand). Infrared spectra of the complexes agree with the coordination to the central metal atom through three donation sites of two oxygen atoms of bridge bidentate carboxylate group and oxygen atom of sbnd Cdbnd O of acetyl group. Infrared spectra coupled with the results of elemental analyzes suggested a distorted octahedral structure for the M(II) aspirinate complexes. Gamma irradiation was tested as a method for stabilization of aspirin as well as their complexes. The effect of gamma irradiation, with dose of 80 Gy, on the properties of aspirinate complexes was studied. The aspirinate chelates have been screened for their in vitro antibacterial activity against four bacteria, gram-positive (Bacillus subtilis and Staphylococcus aureus) and gram-negative (Escherichia coli and Pseudomonas aeruginosa) and two strains of fungus (Aspergillus flavus and Candida albicans). The metal chelates were shown to possess more antibacterial activity than the free aspirin chelate.

8. Influences of Mn(II) and V(IV) on Bacterial Surface Chemistry and Metal Reactivity

French, S.; Fakra, S.; Glasauer, S.

2009-05-01

Microorganisms in terrestrial and marine environments are typically bathed in solutions that contain a range of metal ions, toxic and beneficial. Bacteria such as Shewanella putrefaciens CN32 are metabolically versatile in their respiration, and the reductive dissolution of widely dispersed metals such as Fe(III), Mn(IV), or V(V) can present unique challenges if nearby bodies of water are used for irrigation or drinking. In redox transition zones, dissimilatory metal reduction (DMR) by bacteria can lead to generation of high concentrations of soluble metals. It has been shown that metals will associate with negatively charged bacterial membranes, and the mechanisms of metal reduction are well defined for many species of bacteria. The interaction of metals with the cell wall during DMR is, however, not well documented; very little is known about the interaction of respired transition metals with membrane lipids. Furthermore, bacterial surfaces tend to change in response to their immediate environments. Variations in conditions such as oxygen or metal presence may affect surface component composition, including availability of metal reactive sites. Our research seeks to characterize the biochemical nature of metal-membrane interactions, as well as identify the unique changes at the cell surface that arise as a result of metal presence in their environments. We have utilized scanning transmission X-ray microscopy (STXM) to examine the dynamics of soluble Mn(II) and V(IV) interactions with purified bacterial membranes rather than whole cells. This prevents intracellular interferences, and allows for near edge X-ray absorption fine structure (NEXAFS) spectroscopic analyses of cell surface and surface-associated components. NEXAFS spectra for carbon, nitrogen, and oxygen edges indicate that Mn(II) and V(IV) induce biological modifications of the cell membrane in both aerobic and anaerobic conditions. These changes depend not only on the metal, but also on the presence of

9. SERS and DFT investigation of 1-(2-pyridylazo)-2-naphthol and its metal complexes with Al(III), Mn(II), Fe(III), Cu(II), Zn(II) and Pb(II)

Szabó, László; Herman, Krisztian; Mircescu, Nicoleta E.; Fălămaş, Alexandra; Leopold, Loredana F.; Leopold, Nicolae; Buzumurgă, Claudia; Chiş, Vasile

The development of surface-enhanced Raman scattering (SERS) as a prospective analytical methodology for detection of metal ions was shown in recent years by several studies on metal complexes. In this work, 1-(2-pyridylazo)-2-naphthol (PAN) and its Al(III), Mn(II), Fe(III), Cu(II), Zn(II) and Pb(II) complexes were studied by FTIR, FT-Raman and surface enhanced Raman spectroscopies. Molecular geometry optimization, molecular electrostatic potential (MEP) distribution and vibrational frequencies calculations were performed using the hybrid B3LYP exchange-correlation functional for the PAN molecule and its bidentate complexes. The calculated MEP distributions indicated the atoms with highest electronegativity, the adsorption to the silver surface occurring through these atoms. Based on experimental and theoretical data we were able to identify unique and representative features, useful for the identification of each PAN-metal complex.

10. SERS and DFT investigation of 1-(2-pyridylazo)-2-naphthol and its metal complexes with Al(III), Mn(II), Fe(III), Cu(II), Zn(II) and Pb(II).

PubMed

Szabó, László; Herman, Krisztian; Mircescu, Nicoleta E; Fălămaş, Alexandra; Leopold, Loredana F; Leopold, Nicolae; Buzumurgă, Claudia; Chiş, Vasile

2012-07-01

The development of surface-enhanced Raman scattering (SERS) as a prospective analytical methodology for detection of metal ions was shown in recent years by several studies on metal complexes. In this work, 1-(2-pyridylazo)-2-naphthol (PAN) and its Al(III), Mn(II), Fe(III), Cu(II), Zn(II) and Pb(II) complexes were studied by FTIR, FT-Raman and surface enhanced Raman spectroscopies. Molecular geometry optimization, molecular electrostatic potential (MEP) distribution and vibrational frequencies calculations were performed using the hybrid B3LYP exchange-correlation functional for the PAN molecule and its bidentate complexes. The calculated MEP distributions indicated the atoms with highest electronegativity, the adsorption to the silver surface occurring through these atoms. Based on experimental and theoretical data we were able to identify unique and representative features, useful for the identification of each PAN-metal complex.

11. Metallicity calibration and photometric parallax estimation: II. SDSS photometry

Tunçel Güçtekin, S.; Bilir, S.; Karaali, S.; Plevne, O.; Ak, S.; Ak, T.; Bostancı, Z. F.

2017-01-01

We used the updated [Fe/H] abundances of 168 F-G type dwarfs and calibrated them to a third order polynomial in terms of reduced ultraviolet excess, δ_{0.41} defined with ugr data in the SDSS. We estimated the Mg absolute magnitudes for the same stars via the re-reduced Hipparcos parallaxes and calibrated the absolute magnitude offsets, Δ Mg, relative to the intrinsic sequence of Hyades to a third order polynomial in terms of δ_{0.41}. The ranges of the calibrations are -2<[Fe/H]≤ 0.3 dex and 4< Mg≤ 6 mag. The mean of the residuals and the corresponding standard deviation for the metallicity calibration are 0 and 0.137 mag; while, for the absolute magnitude calibration they are 0 and 0.179 mag, respectively. We applied our procedures to 23,414 dwarf stars in the Galactic field with the Galactic coordinates 85° ≤ b≤ 90°, 0° ≤ l≤ 360° and size 78 deg2. We estimated absolute magnitude Mg dependent vertical metallicity gradients as a function of vertical distance Z. The gradients are deep in the range of 0< Z≤ 5 kpc, while they are very small positive numbers beyond Z=5 kpc. All dwarfs with 5< Mg≤ 6 mag are thin-disc stars and their distribution shows a mode at (g-r)0≈ 0.38 mag, while the absolute magnitudes 4< Mg ≤ 5 are dominated by thick disc and halo stars, i.e. the apparently bright ones (g0≤ 18 mag) are thick-disc stars with a mode at (g-r)0˜ 0.38 mag, while the halo population is significant in the faint stars (g0>18 mag).

12. An Investigation Of The Metallicity Dependence Of The Sn Type Ii Mn Production

Kim, Yeunjin; Sobeck, J.; Frohlich, C.; Truran, J.

2010-01-01

Element abundance trends over the history of our Galaxy serve as important guides in establishing relative contributions from supernovae of Types Ia and II. In particular, spectroscopic studies have revealed a deficiency of manganese (Mn) relative to the abundances of neighboring iron-peak nuclei in metal-poor stars. However, more recent analyses of the observational data have found a constant Mn/Fe abundance ratio over a wide range of metallicity and hence, contradict these previous findings. In this project, we will study the nucleosynthetic yields of Type II supernovae as a function of metallicity by parameterizing the initial properties of the shock. We will compare our results with the two distinct manganese abundance trends identified above. Once we study the metallicity dependency of Type II yields as reflected in observations at lower metallicities, we will explore the constraints this imposes on Type Ia supernova contributions to Mn in different stellar and galactic populations. We acknowledge the financial support by the National Science Foundation for the Frontier Center Joint Institute for Nuclear Astrophysics (JINA). C.F. acknowledges an Enrico Fermi Fellowship.

13. The HK-II Survey: Kinematics of Metal-Poor Stars in the Galaxy

Rhee, J.; Beers, T. C.

2003-12-01

The digitized HK-II survey (Rhee 2000, Ph.D. thesis, MSU) was originated as a follow-on to the HK-I survey of Beers and colleagues (e.g., Beers et al. 1992, AJ, 103, 1987). HK-I was based on visually-selected candidate metal-poor stars from objective-prism plates. Unfortunately, in the absence of color information, this selection technique introduced a rather severe temperature-related bias. As a result, the HK-I candidates do not include large numbers of metal-deficient giants. In HK-II, candidate metal-poor stars are quantitatively selected from digitized objective-prism spectra with JHK color information from the recently completeted 2MASS catalog. This approach eliminates much of the temperature bias. We have begun to survey candidate very metal-poor ([Fe/H] ≤ -2.0) giants from HK-II, over the magnitude range 11.0 ≤ B ≤ 16.0, covering some ˜7000 deg2 of intermediate to high Galactic-latitudes. Ongoing medium-resolution ( ˜ 1-2Å ) spectroscopic follow-up using NOAO observing facilities has allowed us to obtain, to date, some 1000 spectra (400, 450, and 150 spectra for red giants, subgiants near the main-sequence turnoff, and FHB/A stars, respectively) for the HK-II metal-poor star candidates. In particular, the detection rate of bona fide very metal-poor giants is about 45 %, which is quite encouraging. Most of the "mistakes" are slightly more metal-rich giants, with -2.0 < [Fe/H] < -1.0. Metallicities and radial velocities are determined from our spectroscopy, and proper motions for most of the program stars are obtained from the recently released UCAC2 astrometric survey catalog. Here we present an analysis of the full space motions for numerous metal-poor stars from the HK-II survey. A comparision of the chemical and kinematic properties between high- and low-halo populations (that is, giants vs. sub-giants) will aid us in understanding the formation history of the Milky Way. J.R. acknowledges partial support for this work by NASA through the AAS

14. Hydride reactivity of Ni(II)-X-Ni(II) entities: mixed-valent hydrido complexes and reversible metal reduction.

PubMed

Gehring, Henrike; Metzinger, Ramona; Herwig, Christian; Intemann, Julia; Harder, Sjoerd; Limberg, Christian

2013-01-28

After the lithiation of PYR-H(2) (PYR(2-) =[{NC(Me)C(H)C(Me)NC(6)H(3)(iPr)(2)}(2)(C(5)H(3)N)](2-)), which is the precursor of an expanded β-diketiminato ligand system with two binding pockets, its reaction with [NiBr(2) (dme)] led to a dinuclear nickel(II)-bromide complex, [(PYR)Ni(μ-Br)NiBr] (1). The bridging bromide ligand could be selectively exchanged for a thiolate ligand to yield [(PYR)Ni(μ-SEt)NiBr] (3). In an attempt to introduce hydride ligands, both compounds were treated with KHBEt(3). This treatment afforded [(PYR)Ni(μ-H)Ni] (2), which is a mixed valent Ni(I)-μ-H-Ni(II) complex, and [(PYR-H)Ni(μ-SEt)Ni] (4), in which two tricoordinated Ni(I) moieties are strongly antiferromagnetically coupled. Compound 4 is the product of an initial salt metathesis, followed by an intramolecular redox process that separates the original hydride ligand into two electrons, which reduce the metal centres, and a proton, which is trapped by one of the binding pockets, thereby converting it into an olefin ligand on one of the Ni(I) centres. The addition of a mild acid to complex 4 leads to the elimination of H(2) and the formation of a Ni(II)Ni(II) compound, [(PYR)Ni(μ-SEt)NiOTf] (5), so that the original Ni(II) (μ-SEt)Ni(II) X core of compound 3 is restored. All of these compounds were fully characterized, including by X-ray diffraction, and their molecular structures, as well as their formation processes, are discussed.

15. Reduction of aqueous transition metal species on the surfaces of Fe(II)-containing oxides

USGS Publications Warehouse

White, A.F.; Peterson, M.L.

1996-01-01

Experimental studies demonstrate that structural Fe(II) in magnetite and ilmenite heterogeneously reduce aqueous ferric, cupric, vanadate, and chromate ions at the oxide surfaces over a pH range of 1-7 at 25??C. For an aqueous transition metal m, such reactions are 3[Fe2+Fe3+2]O4(magnetite) + 2/nmz ??? 4[Fe3+2]O3(maghemite) + Fe2+ + 2/nmz-n and 3[Fe2+Ti]O3(ilmenite) + 2/nmz ??? Fe3+2Ti3O9(pseudorutile) + Fe2+ + 2/nmz-n, where z is the valance state and n is the charge transfer number. The half cell potential range for solid state oxidation [Fe(II)] ??? [Fe(III)] is -0.34 to -0.65 V, making structural Fe(II) a stronger reducing agent than aqueous Fe2+ (-0.77 V). Reduction rates for aqueous metal species are linear with time (up to 36 h), decrease with pH, and have rate constants between 0.1 and 3.3 ?? 10-10 mol m-2 s-1. Iron is released to solution both from the above reactions and from dissolution of the oxide surface. In the presence of chromate, Fe2+ is oxidized homogeneously in solution to Fe3+. X-ray photoelectron spectroscopy (XPS) denotes a Fe(III) oxide surface containing reduced Cr(III) and V(IV) species. Magnetite and ilmenite electrode potentials are insensitive to increases in divalent transition metals including Zn(II), Co(II), Mn(II), and Ni(II) and reduced V(IV) and Cr(III) but exhibit a log-linear concentration-potential response to Fe(III) and Cu(II). Complex positive electrode responses occur with increasing Cr(VI) and V(V) concentrations. Potential dynamic scans indicate that the high oxidation potential of dichromate is capable of suppressing the cathodic reductive dissolution of magnetite. Oxide electrode potentials are determined by the Fe(II)/Fe(III) composition of the oxide surface and respond to aqueous ion potentials which accelerate this oxidation process. Natural magnetite sands weathered under anoxic conditions are electrochemically reactive as demonstrated by rapid chromate reduction and the release of aqueous Fe(III) to experimental

16. Characterization of Irradiated Metal Waste from the Pyrometallurgical Treatment of Used EBR-II Fuel

SciTech Connect

B.R. Westphal; K.C. Marsden; W.M. McCartin; S.M. Frank; D.D. Keiser, Jr.; T.S. Yoo; D. Vaden; D.G. Cummings; K.J. Bateman; J. J. Giglio; T. P. O'Holleran; P. A. Hahn; M. N. Patterson

2013-03-01

As part of the pyrometallurgical treatment of used Experimental Breeder Reactor-II fuel, a metal waste stream is generated consisting primarily of cladding hulls laden with fission products noble to the electrorefining process. Consolidation by melting at high temperature [1873 K (1600 degrees C)] has been developed to sequester the noble metal fission products (Zr, Mo, Tc, Ru, Rh, Te, and Pd) which remain in the iron-based cladding hulls. Zirconium from the uranium fuel alloy (U-10Zr) is also deposited on the hulls and forms Fe-Zr intermetallics which incorporate the noble metals as well as residual actinides during processing. Hence, Zr has been chosen as the primary indicator for consistency of the metal waste. Recently, the first production-scale metal waste ingot was generated and sampled to monitor Zr content for Fe-Zr intermetallic phase formation and validation of processing conditions. Chemical assay of the metal waste ingot revealed a homogeneous distribution of the noble metal fission products as well as the primary fuel constituents U and Zr. Microstructural characterization of the ingot confirmed the immobilization of the noble metals in the Fe-Zr intermetallic phase.

17. Stellar kinematics and metallicities in the ultra-faint dwarf galaxy Reticulum II

DOE PAGES

Simon, J. D.

2015-07-23

With this study, we present Magellan/M2FS, Very Large Telescope/GIRAFFE, and Gemini South/GMOS spectroscopy of the newly discovered Milky Way satellite Reticulum II. Based on the spectra of 25 Ret II member stars selected from Dark Energy Survey imaging, we measure a mean heliocentric velocity ofmore » $$62.8\\pm 0.5\\;\\mathrm{km}\\;{\\rm{s}}^{-1}$$ and a velocity dispersion of $$3.3\\pm 0.7\\;\\mathrm{km}\\;{\\rm{s}}^{-1}$$. The mass-to-light ratio of Ret II within its half-light radius is $$470\\pm 210\\ {M}_{\\odot }/{L}_{\\odot }$$, demonstrating that it is a strongly dark matter-dominated system. Despite its spatial proximity to the Magellanic Clouds, the radial velocity of Ret II differs from that of the LMC and SMC by 199 and 83 $$\\mathrm{km}\\ {{\\rm{s}}}^{-1}$$, respectively, suggesting that it is not gravitationally bound to the Magellanic system. The likely member stars of Ret II span 1.3 dex in metallicity, with a dispersion of 0.28 ± 0.09 dex, and we identify several extremely metal-poor stars with $${\\rm{[Fe/H]}}\\lt -3$$. In combination with its luminosity, size, and ellipticity, these results confirm that Ret II is an ultra-faint dwarf galaxy. With a mean metallicity of $${\\rm{[Fe/H]}}=-2.65\\pm 0.07$$, Ret II matches Segue 1 as the most metal-poor galaxy known. Although Ret II is the third-closest dwarf galaxy to the Milky Way, the line-of-sight integral of the dark matter density squared is $${\\mathrm{log}}_{10}(J)=18.8\\pm 0.6\\;\\;\\mathrm{GeV}{\\;}^{2}\\;{\\mathrm{cm}}^{-5}\\;$$ within 0fdg2, indicating that the predicted gamma-ray flux from dark matter annihilation in Ret II is lower than that of several other dwarf galaxies.« less

18. Positron annihilation in solid and liquid Ni

SciTech Connect

Fluss, M.J.; Smedskjaer, L.C.; Chakraborty, B.; Chason, M.K.

1982-03-01

New techniques have been developed for the study of metals via positron annihilation which provide for the in-situ melting of the samples and subsequent measurements via Doppler broadening of positron-annihilation radiation. Here we report these metods currently in use at our laboratory; ion implantation of /sup 58/Co and the use of Al/sub 2/O/sub 3/ crucibles for in-situ melting followed by the decomposition of the Doppler-broadened spectrum into a parabolic and a Gaussian component. Our earliest results obtained for pure Ni in the polycrystalline solid and in the liquid state are compared. An interesting similarity is reported for the distributions of the high-momentum (Gaussian) component for positrons annihilating in vacancies at high temperatures and those annihilating in liquid Ni.

19. Resolvability of defect ensembles with positron annihilation studies

SciTech Connect

Fluss, M.J.; Howell, R.H.; Rosenberg, I.J.; Meyer, P.

1984-11-12

Recent advances in the use of positron annihilation to study defect ensembles in and on the surfaces of metals, are pointing the way towards studies where particular positron-electron annihilation modes may be identified and studied in the presence of one another. Although a great deal is understood about the annihilation of positrons in ostensibly defect-free metals, much less is understood when the positron annihilates in complex defect systems such as liquid metals, amorphous solids, or at or near the vacuum-solid interface. In this paper the results of three experiments, all of which demonstrate means by which we can resolve various poistron annihilation channels from one another, are discussed.

20. Effect of biofilm coatings at metal-oxide/water interfaces II: Competitive sorption between Pb(II) and Zn(II) at Shewanella oneidensis/metal-oxide/water interfaces

SciTech Connect

Wang, Yingge; Gelabert, Alexandre; Michel, F. Marc; Choi, Yongseong; Eng, Peter J.; Spormann, Alfred M.; Brown, Jr., Gordon E.

2016-05-07

Competitive sorption of Pb(II) and Zn(II) on Shewanella oneidensis MR-1 biofilm-coated single-crystal α-Al2O3 (1 –1 0 2) and α-Fe2O3 (0 0 0 1) surfaces was investigated using long-period X-ray standing wave-florescence yield (LP-XSW-FY) spectroscopy. In situ partitioning of aqueous Pb(II) and Zn(II) between the biofilms and underlying metal-oxide substrates was probed following exposure of these complex interfaces to equi-molar Pb and Zn solutions (0.01 M NaNO3 as background electrolyte, pH = 6.0, and 3-h equilibration time). At higher Pb and Zn concentrations (≥10–5 M), more than 99% of these ions partitioned into the biofilms at S. oneidensis/α-Al2O3 (1 –1 0 2)/water interfaces, which is consistent with the partitioning behavior of both Pb(II) or Zn(II) in single-metal-ion experiments. Furthermore, no apparent competitive effects were found in this system at these relatively high metal-ion concentrations. However, at lower equi-molar concentrations (≤10–6 M), Pb(II) and Zn(II) partitioning in the same system changed significantly compared to the single-metal-ion systems. The presence of Zn(II) decreased Pb(II) partitioning onto α-Al2O3 (1 –1 0 2) substantially (~52% to ~13% at 10–7 M, and ~23% to ~5% at 10–6 M), whereas the presence of Pb(II) caused more Zn(II) to partition onto α-Al2O3 (1 –1 0 2) surfaces (~15% to ~28% at 10–7 M, and ~1% to ~7% at 10–6 M) .The higher observed partitioning of Zn(II) (~28%) at the α-Al2O3 (1 –1 0 2) surfaces compared to Pb(II) (~13%) in the mixed-metal-ion systems at the lowest concentration (10–7 M) suggests that Zn(II) is slightly favored over Pb(II) for sorption sites on α-Al2O3 (1 –1 0 2) surfaces under our experimental conditions.

1. Correlation of Gas Permeability in a Metal-Organic Framework MIL-101(Cr)-Polysulfone Mixed-Matrix Membrane with Free Volume Measurements by Positron Annihilation Lifetime Spectroscopy (PALS).

PubMed

Jeazet, Harold B Tanh; Koschine, Tönjes; Staudt, Claudia; Raetzke, Klaus; Janiak, Christoph

2013-10-25

Hydrothermally stable particles of the metal-organic framework MIL-101(Cr) were incorporated into a polysulfone (PSF) matrix to produce mixed-matrix or composite membranes with excellent dispersion of MIL-101 particles and good adhesion within the polymer matrix. Pure gas (O2, N2, CO2 and CH4) permeation tests showed a significant increase of gas permeabilities of the mixed-matrix membranes without any loss in selectivity. Positron annihilation lifetime spectroscopy (PALS) indicated that the increased gas permeability is due to the free volume in the PSF polymer and the added large free volume inside the MIL-101 particles. The trend of the gas transport properties of the composite membranes could be reproduced by a Maxwell model.

2. Correlation of Gas Permeability in a Metal-Organic Framework MIL-101(Cr)–Polysulfone Mixed-Matrix Membrane with Free Volume Measurements by Positron Annihilation Lifetime Spectroscopy (PALS)

PubMed Central

Jeazet, Harold B. Tanh; Koschine, Tönjes; Staudt, Claudia; Raetzke, Klaus; Janiak, Christoph

2013-01-01

Hydrothermally stable particles of the metal-organic framework MIL-101(Cr) were incorporated into a polysulfone (PSF) matrix to produce mixed-matrix or composite membranes with excellent dispersion of MIL-101 particles and good adhesion within the polymer matrix. Pure gas (O2, N2, CO2 and CH4) permeation tests showed a significant increase of gas permeabilities of the mixed-matrix membranes without any loss in selectivity. Positron annihilation lifetime spectroscopy (PALS) indicated that the increased gas permeability is due to the free volume in the PSF polymer and the added large free volume inside the MIL-101 particles. The trend of the gas transport properties of the composite membranes could be reproduced by a Maxwell model. PMID:24957061

3. Positron diffusion in Si

SciTech Connect

Nielsen, B.; Lynn, K.G.; Vehanen, A.; Schultz, P.J.

1985-06-01

Positron diffusion in Si(100) and Si(111) has been studied using a variable energy positron beam. The positron diffusion coefficient is found to be D/sub +/ = 2.7 +- 0.3 cm/sup 2//sec using a Makhov-type positron implantation profile, which is demonstrated to fit the data more reliably than the more commonly applied exponential profile. The diffusion related parameter, E/sub 0/, which results from the exponential profile, is found to be 4.2 +- 0.2 keV, significantly longer than previously reported values. A drastic reduction in E/sub 0/ is found after annealing the sample at 1300 K, showing that previously reported low values of E/sub 0/ are probably associated with the thermal history of the sample.

4. New dinuclear copper(II) and zinc(II) complexes for the investigation of sugar-metal ion interactions.

PubMed

Bera, Manindranath; Patra, Ayan

2011-10-18

We have studied the binding interactions of biologically important carbohydrates (D-glucose, D-xylose and D-mannose) with the newly synthesized five-coordinate dinuclear copper(II) complex, [Cu(2)(hpnbpda)(μ-OAc)] (1) and zinc(II) complex, [Zn(2)(hpnbpda)(μ-OAc)] (2) [H(3)hpnbpda=N,N'-bis(2-pyridylmethyl)-2-hydroxy-1,3-propanediamine-N,N'-diacetic acid] in aqueous alkaline solution. The complexes 1 and 2 are fully characterized both in solid and solution using different analytical techniques. A geometrical optimization was made of the ligand H(3)hpnbpda and the complexes 1 and 2 by molecular mechanics (MM+) method in order to establish the stable conformations. All carbohydrates bind to the metal complexes in a 1:1 molar ratio. The binding events have been investigated by a combined approach of FTIR, UV-vis and (13)C NMR spectroscopic techniques. UV-vis spectra indicate a significant blue shift of the absorption maximum of complex 1 during carbohydrate coordination highlighting the sugar binding ability of complex 1. The apparent binding constants of the substrate-bound copper(II) complexes have been determined from the UV-vis titration experiments. The binding ability and mode of binding of these sugar substrates with complex 2 are indicated by their characteristic coordination induced shift (CIS) values in (13)C NMR spectra for carbon atoms C1, C2, and C3 of sugar substrates.

5. Type-II Dirac fermions in the PtSe2 class of transition metal dichalcogenides

Huang, Huaqing; Zhou, Shuyun; Duan, Wenhui

2016-09-01

Recently, a new "type-II" Weyl fermion, which exhibits exotic phenomena, such as an angle-dependent chiral anomaly, was discovered in a new phase of matter where electron and hole pockets contact at isolated Weyl points [Nature (London) 527, 495 (2015), 10.1038/nature15768]. This raises an interesting question about whether its counterpart, i.e., a type-II Dirac fermion, exists in real materials. Here, we predict the existence of symmetry-protected type-II Dirac fermions in a class of transition metal dichalcogenide materials. Our first-principles calculations on PtSe2 reveal its bulk type-II Dirac fermions which are characterized by strongly tilted Dirac cones, novel surface states, and exotic doping-driven Lifshitz transition. Our results show that the existence of type-II Dirac fermions in PtSe2-type materials is closely related to its structural P 3 ¯m 1 symmetry, which provides useful guidance for the experimental realization of type-II Dirac fermions and intriguing physical properties distinct from those of the standard Dirac fermions known before.

6. Optimisation of the thickness of the moderator for positron annihilation process study in Ar gas

Oka, Toshitaka; Sano, Yosuke; Kino, Yasushi; Sekine, Tsutomu

2014-06-01

To investigate the deceleration and annihilation processes of positron in noble gas, we attempted to optimise the thickness of the positron moderator. The results of the decreasing trend of free positron intensity and ortho-positronium intensity with the thickness, and the annihilation rate suggest that the energy of almost all the positrons passed through the metal foils was much above the positronium formation threshold of 9 eV. Total thickness of 0.1 g cm-2 of the moderator and the Ar gas was required to stop almost all the positron in Ar gas.

7. Cytosolic Ni(II) sensor in cyanobacterium: nickel detection follows nickel affinity across four families of metal sensors.

PubMed

Foster, Andrew W; Patterson, Carl J; Pernil, Rafael; Hess, Corinna R; Robinson, Nigel J

2012-04-06

Efflux of surplus Ni(II) across the outer and inner membranes of Synechocystis PCC 6803 is mediated by the Nrs system under the control of a sensor of periplasmic Ni(II), NrsS. Here, we show that the product of ORF sll0176, which encodes a CsoR/RcnR-like protein now designated InrS (for internal nickel-responsive sensor), represses nrsD (NrsD is deduced to efflux Ni(II) across the inner membrane) from a cryptic promoter between the final two ORFs in the nrs operon. Transcripts initiated from the newly identified nrsD promoter accumulate in response to nickel or cobalt but not copper, and recombinant InrS forms specific, Ni(II)-inhibited complexes with the nrsD promoter region. Metal-dependent difference spectra of Ni(II)- and Cu(I)-InrS are similar to Cu(I)-sensing CsoR and dissimilar to Ni(II)/Co(II)-sensing RcnR, consistent with factors beyond the primary coordination sphere switching metal selectivity. Competition with chelators mag-fura-2, nitrilotriacetic acid, EDTA, and EGTA estimate K(D) Ni(II) for the tightest site of InrS as 2.05 (±1.5) × 10(-14) m, and weaker K(D) Ni(II) for the cells' metal sensors of other types: Zn(II) co-repressor Zur, Co(II) activator CoaR, and Zn(II) derepressor ZiaR. Ni(II) transfer to InrS occurs upon addition to Ni(II) forms of each other sensor. InrS binds Ni(II) sufficiently tightly to derepress Ni(II) export at concentrations below K(D) Ni(II) of the other sensors.

8. Kinetics of metal exchange in Cd(II) octa(4-bromophenyl)porphyrinate with d-metal salts in organic solvents

Zvezdina, S. V.; Chizhova, N. V.; Mamardashvili, N. Zh.

2017-03-01

The reaction of metal exchange between Cd(II) octa(4-bromophenyl)porphyrinate with CuCl2 and ZnCl2 in DMFA and DMSO is studied by means of spectrophotometry. The kinetic parameters of the metal exchange reaction are calculated, a stoichiometric reaction mechanism is proposed. The effect the natures of the solvent, salt solvate, and the chemical modification of tetrapyrrole macrocycle have on the kinetic parameters of the metal exchange reaction are revealed.

9. Metal-ion exchange induced structural transformation as a way of forming novel Ni(II)- and Cu(II)-salicylaldimine structures

Wu, Jing-Yun; Tsai, Chi-Jou; Chang, Ching-Yun; Wu, Yung-Yuan

2017-02-01

A Zn(II)-salicylaldimine complex [Zn(Lsalpyca)(H2O)]n (1, where H2Lsalpyca=4-hydroxy-3-(((pyridin-2-yl)methylimino)methyl)benzoic acid), with a one-dimensional (1D) chain structure, has been successfully converted to a discrete Ni(II)-salicylaldimine complex [Ni(Lsalpyca)(H2O)3] (2) and an infinite Cu(II)-salicylaldimine complex {[Cu(Lsalpyca)]·3H2O}n (3) through a metal-ion exchange induced structural transformation process. However, such processes do not worked by Mn(II) and Co(II) ions. Solid-state structure analyses reveal that complexes 1-3 form comparable coordinative or supramolecular zigzag chains running along the crystallographic [201] direction. In addition, replacing Zn(II) ion by Ni(II) and Cu(II) ions caused changes in coordination environment and sphere of metal centers, from a 5-coordinate intermediate geometry of square pyramidal and trigonal bipyramidal in 1 to a 6-coordinate octahedral geometry in 2, and to a 4-coordiante square planar geometry in 3. This study shows that metal-ion exchange serves as a very efficient way of forming new coordination complexes that may not be obtained through direct synthesis.

10. Positron bunching and electrostatic transport system for the production and emission of dense positronium clouds into vacuum

Aghion, S.; Amsler, C.; Ariga, A.; Ariga, T.; Belov, A. S.; Bonomi, G.; Bräunig, P.; Bremer, J.; Brusa, R. S.; Cabaret, L.; Caccia, M.; Caravita, R.; Castelli, F.; Cerchiari, G.; Chlouba, K.; Cialdi, S.; Comparat, D.; Consolati, G.; Demetrio, A.; Di Noto, L.; Doser, M.; Dudarev, A.; Ereditato, A.; Evans, C.; Fesel, J.; Fontana, A.; Forslund, O. K.; Gerber, S.; Giammarchi, M.; Gligorova, A.; Gninenko, S.; Guatieri, F.; Haider, S.; Holmestad, H.; Huse, T.; Jernelv, I. L.; Jordan, E.; Kaltenbacher, T.; Kellerbauer, A.; Kimura, M.; Koetting, T.; Krasnicky, D.; Lagomarsino, V.; Lebrun, P.; Lansonneur, P.; Lehner, S.; Liberadzka, J.; Malbrunot, C.; Mariazzi, S.; Marx, L.; Matveev, V.; Mazzotta, Z.; Nebbia, G.; Nedelec, P.; Oberthaler, M.; Pacifico, N.; Pagano, D.; Penasa, L.; Petracek, V.; Pistillo, C.; Prelz, F.; Prevedelli, M.; Ravelli, L.; Rienäcker, B.; Røhne, O. M.; Rosenberger, S.; Rotondi, A.; Sacerdoti, M.; Sandaker, H.; Santoro, R.; Scampoli, P.; Sorrentino, F.; Spacek, M.; Storey, J.; Strojek, I. M.; Testera, G.; Tietje, I.; Vamosi, S.; Widmann, E.; Yzombard, P.; Zavatarelli, S.; Zmeskal, J.

2015-11-01

We describe a system designed to re-bunch positron pulses delivered by an accumulator supplied by a positron source and a Surko-trap. Positron pulses from the accumulator are magnetically guided in a 0.085 T field and are injected into a region free of magnetic fields through a μ -metal field terminator. Here positrons are temporally compressed, electrostatically guided and accelerated towards a porous silicon target for the production and emission of positronium into vacuum. Positrons are focused in a spot of less than 4 mm FWTM in bunches of ∼8 ns FWHM. Emission of positronium into the vacuum is shown by single shot positron annihilation lifetime spectroscopy.

11. Aggregation of nanoscale iron oxyhydroxides and corresponding effects on metal uptake, retention, and speciation: II. Temperature and time

Stegemeier, J. P.; Reinsch, B. C.; Lentini, C. J.; Dale, J. G.; Kim, C. S.

2015-01-01

The aggregation and growth of nanosized particles can greatly impact their capacity to sorb and retain dissolved metals, thus affecting metal fate and transport in contaminated systems. Aqueous suspensions of synthesized nanoscale iron oxyhydroxides were exposed to dissolved Zn(II) or Cu(II) and aged at room temperature (∼20 °C), 50 °C, and 75 °C for timeframes ranging from 0 to 96 h before sorbed metal ions were desorbed by lowering the suspension pH. Atomic absorption spectroscopic analysis of supernatants both before and after the desorption step determined how temperature and time affect macroscopic metal uptake and retention capacities. Extended X-ray absorption fine structure (EXAFS) spectroscopy analysis described the local binding environment of the sorbed/retained metals on the solid phase. With increasing aging temperature and time, the initial ∼5-nm oblong nanoparticles formed dense aggregates, lost reactive surface area, and retained progressively larger fractions of the initially-introduced Zn(II) and Cu(II) following the desorption step, with the copper species inhibiting the oriented aggregation of the nanoparticles into nanorods. Based on EXAFS analysis, the speciation of the sorbed metal species evolves with increasing time and temperature from surface-sorbed metal ions, which readily desorb and return to solution, to more strongly-bound, structurally-incorporated metal ions. These retained metals appear to associate intimately with the nanoparticle aggregates by substituting for iron in the nanoparticle lattice or by binding within nanoparticle aggregate pore spaces.

12. Position-resolved Positron Annihilation Lifetime Spectroscopy

Wagner, A.; Butterling, M.; Fiedler, F.; Fritz, F.; Kempe, M.; Cowan, T. E.

2013-06-01

A new method which allows for position-resolved positron lifetime spectroscopy studies in extended volume samples is presented. In addition to the existing technique of in-situ production of positrons inside large (cm3) bulk samples using high-energy photons up to 16 MeV from bremsstrahlung production, granular position-sensitive photon detectors have been employed. A beam of intense bremsstrahlung is provided by the superconducting electron linear accelerator ELBE (Electron Linear Accelerator with high Brilliance and low Emittance) which delivers electron bunches of less than 10 ps temporal width and an adjustable bunch separation of multiples of 38 ns, average beam currents of 1 mA, and energies up to 40 MeV. Since the generation of bremsstrahlung and the transport to the sample preserves the sharp timing of the electron beam, positrons generated inside the entire sample volume by pair production feature a sharp start time stamp for positron annihilation lifetime studies with high timing resolutions and high signal to background ratios due to the coincident detection of two annihilation photons. Two commercially available detectors from a high-resolution medial positron-emission tomography system are being employed with 169 individual Lu2SiO5:Ce scintillation crystals, each. In first experiments, a positron-lifetime gated image of a planar Si/SiO2 (pieces of 12.5 mm × 25 mm size) sample and a 3-D structured metal in Teflon target could be obtained proving the feasibility of a three dimensional lifetime-gated tomographic system.

13. Alternative positron-target design for electron-positron colliders

SciTech Connect

Donahue, R.J. ); Nelson, W.R. )

1991-04-01

Current electron-positron linear colliders are limited in luminosity by the number of positrons which can be generated from targets presently used. This paper examines the possibility of using an alternate wire-target geometry for the production of positrons via an electron-induced electromagnetic cascade shower. 39 refs., 38 figs., 5 tabs.

14. Anti-oxidant, in vitro, in vivo anti-inflammatory activity and antiproliferative activity of mefenamic acid and its metal complexes with manganese(II), cobalt(II), nickel(II), copper(II) and zinc(II).

PubMed

Kovala-Demertzi, Dimitra; Hadjipavlou-Litina, Dimitra; Staninska, Malgorzata; Primikiri, Alexandra; Kotoglou, Chronis; Demertzis, Mavroudis A

2009-06-01

Some new complexes of mefenamic acid with potentially interesting biological activity are described. The complexes of mefenamic acid [Mn(mef)(2)(H(2)O)(2)], 1, [Co(mef)(2)(H(2)O)(2)], 2, [Ni(mef)(2)(H(2)O)(2)], 3, [Cu(mef)(2)(H(2)O)](2), 4 and [Zn(mef)(2)], 5, were prepared by the reaction of mefenamic acid, a potent anti-inflammatory drug with metal salts. Optical and infrared spectral data of these new complexes are reported. Monomeric six-coordinated species were isolated in the solid state for Mn(II), Ni(II) and Co(II), dimeric five-coordinated for Cu(II) and monomeric four-coordinated for Zn(II). In DMF or CHCl(3) solution the coordination number is retained and the coordinated molecules of water are replaced by solvent molecules. The anti-oxidant properties of the complexes were evaluated using the 1,1-diphenyl-2-picrylhydrazyl, DPPH, free radical scavenging assay. The scavenging activities of the complexes were measured and compared with those of the free drug and vitamin C. We have explored their ability to inhibit soybean lipoxygenase, beta-glucuronidase and trypsin- induced proteolysis. The complex [Mn(mef)(2)(H(2)O)(2)] exhibits the highest antioxidant activity and the highest inhibitory effect against the soybean lipogygenase (LOX), properties that are not demonstrated by mefenamic acid. Their inhibitory effects on rat paw edema induced by Carrageenan was studied and compared with those of mefenamic acid. The complex [Zn(mef)(2)] exhibited a strong inhibitory effect at 0.1 mmol/Kg B.W. (81.5 +/- 1.3% inhibition), superior to the inhibition induced by mefenamic acid at the same dose (61.5 +/- 2.3% inhibition). Mefenamic acid and its metal complexes have been evaluated for antiproliferative activity in vitro against the cells of three human cancer cell lines: MCF-7 (human breast cancer cell line), T24 (bladder cancer cell line), A-549 (non-small cell lung carcinoma) and a mouse fibroblast L-929 cell line. The copper(II) complex displays against T24, MCF-7

15. Immobilization of Radionuclides and Heavy Metals through Anaerobic Bio-Oxidation of Fe(II)

PubMed Central

Lack, Joseph G.; Chaudhuri, Swades K.; Kelly, Shelly D.; Kemner, Kenneth M.; O'Connor, Susan M.; Coates, John D.

2002-01-01

Adsorption of heavy metals and radionuclides (HMR) onto iron and manganese oxides has long been recognized as an important reaction for the immobilization of these compounds. However, in environments containing elevated concentrations of these HMR the adsorptive capacity of the iron and manganese oxides may well be exceeded, and the HMR can migrate as soluble compounds in aqueous systems. Here we demonstrate the potential of a bioremediative strategy for HMR stabilization in reducing environments based on the recently described anaerobic nitrate-dependent Fe(II) oxidation by Dechlorosoma species. Bio-oxidation of 10 mM Fe(II) and precipitation of Fe(III) oxides by these organisms resulted in rapid adsorption and removal of 55 μM uranium and 81 μM cobalt from solution. The adsorptive capacity of the biogenic Fe(III) oxides was lower than that of abiotically produced Fe(III) oxides (100 μM for both metals), which may have been a result of steric hindrance by the microbial cells on the iron oxide surfaces. The binding capacity of the biogenic oxides for different heavy metals was indirectly correlated to the atomic radius of the bound element. X-ray absorption spectroscopy indicated that the uranium was bound to the biogenically produced Fe(III) oxides as U(VI) and that the U(VI) formed bidentate and tridentate inner-sphere complexes with the Fe(III) oxide surfaces. Dechlorosoma suillum oxidation was specific for Fe(II), and the organism did not enzymatically oxidize U(IV) or Co(II). Small amounts (less than 2.5 μM) of Cr(III) were reoxidized by D. suillum; however, this appeared to be inversely dependent on the initial concentration of the Cr(III). The results of this study demonstrate the potential of this novel approach for stabilization and immobilization of HMR in the environment. PMID:12039723

16. Application of positron annihilation in materials science

SciTech Connect

Siegel, R.W.; Fluss, M.J.; Smedskjaer, L.C.

1984-05-01

Owing to the ability of the positron to annihilate from a variety of defect-trapped states, positron annihilation spectroscopy (PAS) has been applied increasingly to the characterization and study of defects in materials in recent years. In metals particularly, it has been demonstrated that PAS can yield defect-specific information which, by itself or in conjunction with more traditional experimental techniques, has already made a significant impact upon the determination of atomic-defect properties and the monitoring and characterization of vacancy-like microstructure development, as occurs during post-irradiation annealing. The applications of PAS are now actively expanding to the study of more complex defect-related phenomena in irradiated or deformed metals and alloys, phase transformations and structural disorder, surfaces and near-surface defect characterization. A number of these applications in materials science are reviewed and discussed with respect to profitable future directions.

17. Spectral characterization, cyclic voltammetry, morphology, biological activities and DNA cleaving studies of amino acid Schiff base metal(II) complexes.

PubMed

Neelakantan, M A; Rusalraj, F; Dharmaraja, J; Johnsonraja, S; Jeyakumar, T; Sankaranarayana Pillai, M

2008-12-15

Metal complexes are synthesized with Schiff bases derived from o-phthalaldehyde (opa) and amino acids viz., glycine (gly) l-alanine (ala), l-phenylalanine (pal). Metal ions coordinate in a tetradentate or hexadentate manner with these N(2)O(2) donor ligands, which are characterized by elemental analysis, molar conductance, magnetic moments, IR, electronic, (1)H NMR and EPR spectral studies. The elemental analysis suggests the stoichiometry to be 1:1 (metal:ligand). Based on EPR studies, spin-Hamiltonian and bonding parameters have been calculated. The g-values calculated for copper complexes at 300K and in frozen DMSO (77K) indicate the presence of the unpaired electron in the dx2-y2 orbital. The evaluated metal-ligand bonding parameters showed strong in-plane sigma- and pi-bonding. X-ray diffraction (XRD) and scanning electron micrography (SEM) analysis provide the crystalline nature and the morphology of the metal complexes. The cyclic voltammograms of the Cu(II)/Mn(II)/VO(II) complexes investigated in DMSO solution exhibit metal centered electroactivity in the potential range -1.5 to +1.5V. The electrochemical data obtained for Cu(II) complexes explains the change of structural arrangement of the ligand around Cu(II) ions. The biological activity of the complexes has been tested on eight bacteria and three fungi. Cu(II) and Ni(II) complexes show an increased activity in comparison to the controls. The metal complexes of opapal Schiff base were evaluated for their DNA cleaving activities with calf-thymus DNA (CT DNA) under aerobic conditions. Cu(II) and VO(II) complexes show more pronounced activity in presence of the oxidant.

18. Spectral characterization, cyclic voltammetry, morphology, biological activities and DNA cleaving studies of amino acid Schiff base metal(II) complexes

Neelakantan, M. A.; Rusalraj, F.; Dharmaraja, J.; Johnsonraja, S.; Jeyakumar, T.; Sankaranarayana Pillai, M.

2008-12-01

Metal complexes are synthesized with Schiff bases derived from o-phthalaldehyde (opa) and amino acids viz., glycine (gly) L-alanine (ala), L-phenylalanine (pal). Metal ions coordinate in a tetradentate or hexadentate manner with these N 2O 2 donor ligands, which are characterized by elemental analysis, molar conductance, magnetic moments, IR, electronic, 1H NMR and EPR spectral studies. The elemental analysis suggests the stoichiometry to be 1:1 (metal:ligand). Based on EPR studies, spin-Hamiltonian and bonding parameters have been calculated. The g-values calculated for copper complexes at 300 K and in frozen DMSO (77 K) indicate the presence of the unpaired electron in the d orbital. The evaluated metal-ligand bonding parameters showed strong in-plane σ- and π-bonding. X-ray diffraction (XRD) and scanning electron micrography (SEM) analysis provide the crystalline nature and the morphology of the metal complexes. The cyclic voltammograms of the Cu(II)/Mn(II)/VO(II) complexes investigated in DMSO solution exhibit metal centered electroactivity in the potential range -1.5 to +1.5 V. The electrochemical data obtained for Cu(II) complexes explains the change of structural arrangement of the ligand around Cu(II) ions. The biological activity of the complexes has been tested on eight bacteria and three fungi. Cu(II) and Ni(II) complexes show an increased activity in comparison to the controls. The metal complexes of opapal Schiff base were evaluated for their DNA cleaving activities with calf-thymus DNA (CT DNA) under aerobic conditions. Cu(II) and VO(II) complexes show more pronounced activity in presence of the oxidant.

19. THE JHU-SDSS METAL ABSORPTION LINE CATALOG: REDSHIFT EVOLUTION AND PROPERTIES OF Mg II ABSORBERS

SciTech Connect

Zhu Guangtun; Menard, Brice

2013-06-20

We present a generic and fully automatic method aimed at detecting absorption lines in the spectra of astronomical objects. The algorithm estimates the source continuum flux using a dimensionality reduction technique and nonnegative matrix factorization, and then detects and identifies metal absorption lines. We apply it to a sample of {approx}10{sup 5} quasar spectra from the Sloan Digital Sky Survey and compile a sample of {approx}40,000 Mg II- and Fe II-absorber systems, spanning the redshift range 0.4 < z < 2.3. The corresponding catalog is publicly available. We study the statistical properties of these absorber systems and find that the rest equivalent width distribution of strong Mg II absorbers follows an exponential distribution at all redshifts, confirming previous studies. Combining our results with recent near-infrared observations of Mg II absorbers, we introduce a new parameterization that fully describes the incidence rate of these systems up to z {approx} 5. We find the redshift evolution of strong Mg II absorbers to be remarkably similar to the cosmic star formation history over 0.4 < z < 5.5 (the entire redshift range covered by observations), suggesting a physical link between these two quantities.

20. Synthesis, characterization, and anti-cancer activity of emodin-Mn(II) metal complex.

PubMed

Yang, Li; Tan, Jun; Wang, Bo-Chu; Zhu, Lian-Cai

2014-12-01

To synthesize and characterize a novel metal complex of Mn (II) with emodin, and evaluate its anti-cancer activity. The elemental analyses, IR, UV-vis, atomic absorption spectroscopy, TG-DSC, (1)H NMR, and (13)C NMR data were used to characterize the structure of the complex. The cytotoxicity of the complex against the human cancer cell lines HepG2, HeLa, MCF-7, B16, and MDA-MB-231 was tested by the MTT assay and flow cytometry. Emodin was coordinated with Mn(II) through the 9-C=O and 1-OH, and the general formula of the complex was Mn(II) (emodin)2·2H2O. In studies of the cytotoxicity, the complex exhibited significant activity, and the IC50 values of the complex against five cancer cell lines improved approximately three-fold compared with those of emodin. The complex could induce cell morphological changes, decrease the percentage of viability, and induce G0/G1 phase arrest and apoptosis in cancer cells. The coordination of emodin with Mn(II) can improve its anticancer activity, and the complex Mn(II) (emodin)2·2H2O could be studied further as a promising anticancer drug.

1. Removal of heavy metal Cu(II) in simulated aquaculture wastewater by modified palygorskite.

PubMed

Cao, Jia-Shun; Wang, Cheng; Fang, Fang; Lin, Jun-Xiong

2016-12-01

Palygorskite (PAL) is a good heavy metal adsorbent due to its high surface area, low cost, and environmentally compatibility. But the natural PAL has limited its adsorption capacity and selectivity. In this study, a cost-effective and readily-generated absorbent, l-threonine-modified palygorskite (L-PAL), was used and its performance for Cu(II) removal in simulated aquaculture wastewater was evaluated. After preparation, L-PAL was characterized by using Fourier transform infrared spectroscopy, scanning electron microscope, energy dispersive X-ray spectroscopy, X-ray diffractometer, X-ray photoelectron spectroscopy, transmission electron microscopy and thermogravimetric analysis. The impacts of pH, adsorbent dosage, contact time, and initial Cu(II) concentration on the adsorption capacity of L-PAL were examined. The Cu(II) adsorption capacity on L-PAL was enhanced almost 10 times than that of raw PAL. The adsorption isotherms of Cu(II) fit the Langmuir isotherms, and the adsorption kinetics was dominated by the pseudo-second-order model. The thermodynamic parameters at four temperatures were calculated, which indicated that the adsorption was spontaneous and endothermic. The adsorption mechanism involves complexation, chelation, electrostatic attraction, and micro-precipitation. Furthermore, L-PAL is shown to have a high regeneration capacity. These results indicate that L-PAL is a cheap and promising absorbent for Cu(II) removal and hold potential to be used for aquaculture wastewater treatment.

2. Lifetime of combustion-generated environmentally persistent free radicals on Zn(II)O and other transition metal oxides.

PubMed

Vejerano, Eric; Lomnicki, Slawo; Dellinger, Barry

2012-10-26

Previous studies indicated that Environmentally Persistent Free Radicals (EPFRs) are formed in the post-flame, cool zone of combustion. They result from the chemisorption of gas-phase products of incomplete combustion (particularly hydroxyl- and chlorine-substituted aromatics) on Cu(II)O, Fe(III)(2)O(3), and Ni(II)O domains of particulate matter (fly ash or soot particles). This study reports our detailed laboratory investigation on the lifetime of EPFRs on Zn(II)O/silica surface. Similarly, as in the case of other transition metals, chemisorption of the adsorbate on the Zn(II)O surface and subsequent transfer of electron from the adsorbate to the metal forms a surface-bound EPFR and a reduced metal ion center. The EPFRs are stabilized by their interaction with the metal oxide domain surface. The half-lives of EPFRs formed on Zn(II)O domains were the longest observed among the transition metal oxides studied and ranged from 3 to 73 days. These half-lives were an order of magnitude longer than those formed on nickel and iron oxides, and were 2 orders of magnitude longer compared to the EPFRs on copper oxide which have half-lives only on the order of hours. The longest-lived radicals on Zn(II)O correspond to the persistency in ambient air particles of almost a year. The half-life of EPFRs was found to correlate with the standard reduction potential of the associated metal.

3. Positron sources for Linear Colliders

SciTech Connect

Gai Wei; Liu Wanming

2009-09-02

Positron beams have many applications and there are many different concepts for positron sources. In this paper, only positron source techniques for linear colliders are covered. In order to achieve high luminosity, a linear collider positron source should have a high beam current, high beam energy, small emittance and, for some applications, a high degree of beam polarization. There are several different schemes presently being developed around the globe. Both the differences between these schemes and their common technical challenges are discussed.

4. Early evaluation of tumour metabolic response using [18F]fluorodeoxyglucose and positron emission tomography:a pilot study following the phase II chemotherapy schedule for temozolomide in recurrent high-grade gliomas

PubMed Central

Brock, C S; Young, H; O'Reilly, S M; Matthews, J; Osman, S; Evans, H; Newlands, E S; Price, P M

2000-01-01

Quantitation of metabolic changes in tumours may provide an objective measure of clinical and subclinical response to anticancer therapy. This pilot study assesses the value of quantitation of metabolic rate of glucose (MRGlu) measured in mmol min−1ml−1to assess early subclinical response to therapy in a relatively non-responsive tumour. Nine patients receiving the CRC Phase II study schedule of temozolomide were assessed with [18F]fluorodeoxyglucose ([18F]FDG) dynamic positron emission tomography (PET) scans prior to and 14 days after treatment with temozolomide given as 750–1000 mg m−2over 5 days every 28 days. Tumour MRGlu was calculated and compared with objective response at 8 weeks. Pretreatment MRGlu was higher in responders than non-responders. The responding patient group had a greater than 25% reduction in MRGlu in regions of high focal tumour uptake (HFU). Whole tumour changes in MRGlu did not correlate with response. Percentage change in HFU standardized uptake value (SUV) did discriminate the responding from the non-responding patients, but not as well as with MRGlu. Large differences also occurred in the normal brain SUV following treatment. Thus, MRGlu appeared to be a more sensitive discriminator of response than the simplified static SUV analysis. Changes in MRGlu may reflect the degree of cell kill following chemotherapy and so may provide an objective, quantitative subclinical measure of response to therapy. © 2000 Cancer Research Campaign PMID:10682673

5. Low-metallicity Young Clusters in the Outer Galaxy. II. Sh 2-208

Yasui, Chikako; Kobayashi, Naoto; Saito, Masao; Izumi, Natsuko

2016-05-01

We obtained deep near-infrared images of Sh 2-208, one of the lowest-metallicity H ii regions in the Galaxy, [O/H] = -0.8 dex. We detected a young cluster in the center of the H ii region with a limiting magnitude of K = 18.0 mag (10σ), which corresponds to a mass detection limit of ˜0.2 M⊙. This enables the comparison of star-forming properties under low metallicity with those of the solar neighborhood. We identified 89 cluster members. From the fitting of the K-band luminosity function (KLF), the age and distance of the cluster are estimated to be ˜0.5 Myr and ˜4 kpc, respectively. The estimated young age is consistent with the detection of strong CO emission in the cluster region and the estimated large extinction of cluster members (AV ˜ 4-25 mag). The observed KLF suggests that the underlying initial mass function (IMF) of the low-metallicity cluster is not significantly different from canonical IMFs in the solar neighborhood in terms of both high-mass slope and IMF peak (characteristic mass). Despite the very young age, the disk fraction of the cluster is estimated at only 27% ± 6%, which is significantly lower than those in the solar metallicity. Those results are similar to Sh 2-207, which is another star-forming region close to Sh 2-208 with a separation of 12 pc, suggesting that their star-forming activities in low-metallicity environments are essentially identical to those in the solar neighborhood, except for the disk dispersal timescale. From large-scale mid-infrared images, we suggest that sequential star formation is taking place in Sh 2-207, Sh 2-208, and the surrounding region, triggered by an expanding bubble with a ˜30 pc radius.

6. Effect of biofilm coatings at metal-oxide/water interfaces I: Pb(II) and Zn(II) partitioning and speciation at Shewanella oneidensis/metal-oxide/water interfaces

Wang, Yingge; Gélabert, Alexandre; Michel, F. Marc; Choi, Yongseong; Gescher, Johannes; Ona-Nguema, Georges; Eng, Peter J.; Bargar, John R.; Farges, Francois; Spormann, Alfred M.; Brown, Gordon E.

2016-09-01

Microbial biofilms are often present as coatings on metal-oxide surfaces in natural and industrial environments and may induce significant changes in the partitioning behavior and speciation of aqueous metal ions, which in turn can impact their transport and fate. In this study, long-period X-ray standing wave-fluorescence yield (LP-XSW-FY) spectroscopy was used to measure under in situ conditions the partitioning of aqueous Pb(II) and Zn(II) between multilayer Shewanella oneidensis MR-1 biofilms and highly polished, oriented single-crystal surfaces of α-Al2O3 and α-Fe2O3 as a function of metal-ion concentration and time at pH 6.0. We show that after 3-h exposure time, Pb(II) binds preferentially to the α-Al2O3 (1-102) and α-Fe2O3 (0 0 0 1) surfaces at low Pb concentration ([Pb] = 10-7 M) and then increasingly partitions into the biofilm coatings at higher concentrations (10-6 to 10-4 M). In contrast, Zn(II) partitions preferentially into the biofilm coating for both surfaces at all Zn concentrations studied (10-7 to 10-4 M). In comparison, the α-Al2O3 (0 0 0 1) surface has a low affinity for both Pb(II) and Zn(II), and the biofilm coatings are the dominant sink for both ions. These findings suggest that in the presence of S. oneidensis biofilm coatings, α-Al2O3 (0 0 0 1) is the least reactive surface for Pb(II) and Zn(II) compared to α-Al2O3 (1-102) and α-Fe2O3 (0 0 0 1). They also show that Zn(II) has a lower affinity than Pb(II) for reactive sites on α-Al2O3 (1-102) and α-Fe2O3 (0 0 0 1) at [Me(II)] of 10-7 M; at 10-5 M, the bulk of the metal ions partition into the biofilm coatings. At longer exposure times (20-24 h), both Pb(II) and Zn(II) increasingly partition to the metal-oxide surfaces at [Me(II)] = 10-5 M and pH 6.0, indicating possible reaction/diffusion-controlled sorption processes. Pb LIII-edge and Zn K-edge grazing-incidence extended X-ray absorption fine structure (GI-EXAFS) measurements suggest that both Pb(II) and Zn(II) ions may be

7. Effect of biofilm coatings at metal-oxide/water interfaces I: Pb(II) and Zn(II) partitioning and speciation at Shewanella oneidensis/metal-oxide/water interfaces

DOE PAGES

Wang, Yingge; Gelabert, Alexandre; Michel, F. Marc; ...

2016-05-30

Microbial biofilms are often present as coatings on metal-oxide surfaces in natural and industrial environments and may induce significant changes in the partitioning behavior and speciation of aqueous metal ions, which in turn can impact their transport and fate. In this study, long-period X-ray standing wave-fluorescence yield (LP-XSW-FY) spectroscopy was used to measure under in situ conditions the partitioning of aqueous Pb(II) and Zn(II) between multilayer Shewanella oneidensis MR-1 biofilms and highly polished, oriented single-crystal surfaces of α-Al2O3 and α-Fe2O3 as a function of metal-ion concentration and time at pH 6.0. We show that after 3-h exposure time, Pb(II) bindsmore » preferentially to the alpha-Al2O3 (1-102) and α-Fe2O3 (0001) surfaces at low Pb concentration ([Pb] = 10–7 M) and then increasingly partitions into the biofilm coatings at higher concentrations (10–6 to 10–4 M). In contrast, Zn(II) partitions preferentially into the biofilm coating for both surfaces at all Zn concentrations studied (10–7 to 10–4 M). In comparison, the α-Al2O3 (0001) surface has a low affinity for both Pb(II) and Zn(II), and the biofilm coatings are the dominant sink for both ions. These findings suggest that in the presence of S. oneidensis biofilm coatings, α-Al2O3 (0001) is the least reactive surface for Pb(II) and Zn(II) compared to α-Al2O3 (1-102) and α-Fe2O3 (0001). They also show that Zn(II) has a lower affinity than Pb(II) for reactive sites on α-Al2O3 (1-102) and α-Fe2O3 (0001) at [Me(II)] of 10–7 M; at 10–5 M, the bulk of the metal ions partition into the biofilm coatings. At longer exposure times (20-24 h), both Pb(II) and Zn(II) increasingly partition to the metal-oxide surfaces at [Me(II)] = 10–5 M and pH 6.0, indicating possible reaction/diffusion-controlled sorption processes. Pb L-III-edge and Zn K-edge grazing-incidence extended X-ray absorption fine structure (GI-EXAFS) measurements suggest that both Pb(II) and Zn(II

8. Decontamination of solutions containing Cu(II) and ligands tartrate, glycine and quadrol using metallic iron.

PubMed

Gyliene, Ona; Vengris, Tomas; Nivinskiene, Ona; Binkiene, Rima

2010-03-15

Decontamination of solutions containing Cu(II) complexes with tartrate, glycine and quadrol (N,N,N'N'-tetrakis(2-hydroxypropyl)ethylenediamine) using metallic iron depends on pH and proceeds best in mildly acidic solutions. Cu(II) is completely removed from all solutions containing the ligands investigated. The degree of ligand removal from solutions considerably differs. Tartrate is relatively rapidly and completely removed from solutions. A complete removal of glycine is prolonged. The removal of quadrol from solutions using metallic iron is negligible. Electrochemical investigations showed that tartrate and glycine have inhibitory influence on anodic dissolution of iron at pH 2 and enhance it at pH 4. Quadrol does not exhibit any significant influence on iron dissolution. Chemical analysis and FT-IR investigations have shown that the content of organic compounds is the greatest in the precipitate formed in solutions containing tartrate, while it is considerably lower in glycine containing solutions. The precipitate formed in quadrol-containing solutions during the treatment with metallic iron contains only negligible amount of organics.

9. Positron annihilation processes update

NASA Technical Reports Server (NTRS)

Guessoum, Nidhal; Skibo, Jeffrey G.; Ramaty, Reuven

1997-01-01

The present knowledge concerning the positron annihilation processes is reviewed, with emphasis on the data of the cross sections of the various processes of interest in astrophysical applications. Recent results are presented including results on reaction rates and line widths, the validity of which is verified.

10. Positron excitation of neon

NASA Technical Reports Server (NTRS)

Parcell, L. A.; Mceachran, R. P.; Stauffer, A. D.

1990-01-01

The differential and total cross section for the excitation of the 3s1P10 and 3p1P1 states of neon by positron impact were calculated using a distorted-wave approximation. The results agree well with experimental conclusions.

11. The Japanese Positron Factory

Okada, S.; Sunaga, H.; Kaneko, H.; Takizawa, H.; Kawasuso, A.; Yotsumoto, K.; Tanaka, R.

1999-06-01

The Positron Factory has been planned at Japan Atomic Energy Research Institute (JAERI). The factory is expected to produce linac-based monoenergetic positron beams having world-highest intensities of more than 1010e+/sec, which will be applied for R&D of materials science, biotechnology and basic physics & chemistry. In this article, results of the design studies are demonstrated for the following essential components of the facilities: 1) Conceptual design of a high-power electron linac with 100 MeV in beam energy and 100 kW in averaged beam power, 2) Performance tests of the RF window in the high-power klystron and of the electron beam window, 3) Development of a self-driven rotating electron-to-positron converter and the performance tests, 4) Proposal of multi-channel beam generation system for monoenergetic positrons, with a series of moderator assemblies based on a newly developed Monte Carlo simulation and the demonstrative experiment, 5) Proposal of highly efficient moderator structures, 6) Conceptual design of a local shield to suppress the surrounding radiation and activation levels.

12. Positron spectroscopy of 2D materials using an advanced high intensity positron beam

McDonald, A.; Chirayath, V.; Lim, Z.; Gladen, R.; Chrysler, M.; Fairchild, A.; Koymen, A.; Weiss, A.

An advanced high intensity variable energy positron beam(~1eV to 20keV) has been designed, tested and utilized for the first coincidence Doppler broadening (CDB) measurements on 6-8 layers graphene on polycrystalline Cu sample. The system is capable of simultaneous Positron annihilation induced Auger electron Spectroscopy (PAES) and CDB measurements giving it unparalleled sensitivity to chemical structure at external surfaces, interfaces and internal pore surfaces. The system has a 3m flight path up to a micro channel plate (MCP) for the Auger electrons emitted from the sample. This gives a superior energy resolution for PAES. A solid rare gas(Neon) moderator was used for the generation of the monoenergetic positron beam. The positrons were successfully transported to the sample chamber using axial magnetic field generated with a series of Helmholtz coils. We will discuss the PAES and coincidence Doppler broadening measurements on graphene -Cu sample and present an analysis of the gamma spectra which indicates that a fraction of the positrons implanted at energies 7-60eV can become trapped at the graphene/metal interface. This work was supported by NSF Grant No. DMR 1508719 and DMR 1338130.

13. Structure of the Ni(II) complex of Escherichia coli peptide deformylase and suggestions on deformylase activities depending on different metal(II) centres.

PubMed

Yen, Ngo Thi Hai; Bogdanović, Xenia; Palm, Gottfried J; Kühl, Olaf; Hinrichs, Winfried

2010-02-01

Crystal structures of polypeptide deformylase (PDF) of Escherichia coli with nickel(II) replacing the native iron(II) have been solved with chloride and formate as metal ligands. The chloro complex is a model for the correct protonation state of the hydrolytic hydroxo ligand and the protonated status of the Glu133 side chain as part of the hydrolytic mechanism. The ambiguity that recently some PDFs have been identified with Zn(2+) ion as the active-site centre whereas others are only active with Fe(2+) (or Co(2+), Ni(2+) is discussed with respect to Lewis acid criteria of the metal ion and substrate activation by the CD loop.

14. Microstructure Evaluation of Fe-BASED Amorphous Alloys Investigated by Doppler Broadening Positron Annihilation Technique

Lu, Wei; Huang, Ping; Wang, Yuxin; Yan, Biao

2013-07-01

Microstructure of Fe-based amorphous and nanocrystalline soft magnetic alloy has been investigated by X-ray diffraction (XRD), transmission electronic microscopy (TEM) and Doppler broadening positron annihilation technique (PAT). Doppler broadening measurement reveals that amorphous alloys (Finemet, Type I) which can form a nanocrystalline phase have more defects (free volume) than alloys (Metglas, Type II) which cannot form this microstructure. XRD and TEM characterization indicates that the nanocrystallization of amorphous Finemet alloy occurs at 460°C, where nanocrystallites of α-Fe with an average grain size of a few nanometers are formed in an amorphous matrix. With increasing annealing temperature up to 500°C, the average grain size increases up to around 12 nm. During the annealing of Finemet alloy, it has been demonstrated that positron annihilates in quenched-in defect, crystalline nanophase and amorphous-nanocrystalline interfaces. The change of line shape parameter S with annealing temperature in Finemet alloy is mainly due to the structural relaxation, the pre-nucleation of Cu nucleus and the nanocrystallization of α-Fe(Si) phase during annealing. This study throws new insights into positron behavior in the nanocrystallization of metallic glasses, especially in the presence of single or multiple nanophases embedded in the amorphous matrix.

15. The Reduction of Aqueous Metal Species on the Surfaces of Fe(II)-Containing Oxides: The Role of Surface Passivation

USGS Publications Warehouse

White, A.F.; Peterson, M.L.

1998-01-01

The reduction of aqueous transition metal species at the surfaces of Fe(II)- containing oxides has important ramifications in predicting the transport behavior in ground water aquifers. Experimental studies using mineral suspensions and electrodes demonstrate that structural Fe(II) heterogeneously reduces aqueous ferric, cupric, vanadate and chromate ions on magnetite and ilmenite surfaces. The rates of metal reduction on natural oxides is strongly dependent on the extent of surface passivation and redox conditions in the weathering environment. Synchrotron studies show that surface oxidation of Fe(II)-containing oxide minerals decreases their capacity for Cr(VI) reduction at hazardous waste disposal sites.

16. High current pulsed positron microprobe

SciTech Connect

Howell, R.H.; Stoeffl, W.; Kumar, A.; Sterne, P.A.; Cowan, T.E.; Hartley, J.

1997-05-01

We are developing a low energy, microscopically focused, pulsed positron beam for defect analysis by positron lifetime spectroscopy to provide a new defect analysis capability at the 10{sup 10} e{sup +}s{sup -l} beam at the Lawrence Livermore National Laboratory electron linac. When completed, the pulsed positron microprobe will enable defect specific, 3-dimensional maps of defect concentrations with sub-micron resolution of defect location. By coupling these data with first principles calculations of defect specific positron lifetimes and positron implantation profiles we will both map the identity and concentration of defect distributions.

17. The effect of TiB II powder on microstructure and mechanical behavior of Al-TiB II metal matrix composites

Ehsani, N.; Abdi, F.; Abdizadeh, H.; Baharvandi, H. R.

2007-07-01

Cast metal matrix composites produced by stir casting method have cost advantages over the composites made by other techniques. In this study, the influence of TiB II volume fraction on microstructure and mechanical properties of Al-TiB II composites has been investigated. Three different volume fractions (5, 10, and 15) of particulate TiB II were used in production of aluminum matrix composite at 750°C. Microstructure of the composites was studied by Scanning Electron Microscopy (SEM). Composition of the samples was analyzed by X-ray diffraction (XRD). The mechanical properties of the specimens (hardness and tensile strength) were also measured. Experimental results show that the microstructure is remarkably affected by TiB II addition level. The mechanical properties were considerably improved by addition of TiB II particles.

18. Synthesis, spectral characterization and biological activity of metal(II) complexes with 4-aminoantipyrine derivatives.

PubMed

Leelavathy, C; Arul Antony, S

2013-09-01

Novel metal(II) complexes derived from furfurylidene-4-aminoantipyrine and 2-aminobenzothiazole were synthesized and characterized by spectroscopic (IR, (1)H NMR, UV-Vis., ESR and DART-MS) and other analytical methods. IR spectral studies indicate the binding sites of the ligand with the metal ion. Molar conductance data and magnetic susceptibility measurements provide evidence for monomeric and neutral nature of the complexes. The X band ESR spectrum of the Cu(II) complex at 300 and 77K was recorded. The electrochemical behaviour of the complexes in MeCN at 298 K was studied. Thermal studies of the ligand and its complexes show the presence of coordinated water in the complexes. The grain size of the complex was calculated by Scherrer formula using powder XRD. The surface morphology of the complexes was studied using SEM. The in vitro biological screening of the ligand and its complexes were tested against bacterial species S. aureus, E. coli, K. pneumoniae, P. vulgaris and P. aeruginosa and fungal species A. niger, R. stolonifer, A. flavus, R. bataicola and C. albicans. The DNA binding and cleavage activity of the ligand and its complexes were studied. Super oxide dismutase (SOD) activities of the ligand and its complexes have also been measured.

19. Improved generalized gradient approximation for positron states in solids

Kuriplach, Jan; Barbiellini, Bernardo

2014-04-01

Several first-principles calculations of positron-annihilation characteristics in solids have added gradient corrections to the local-density approximation within the theory by Arponen and Pajanne [Ann. Phys. (NY) 121, 343 (1979), 10.1016/0003-4916(79)90101-5] since this theory systematically overestimates the annihilation rates. As a further remedy, we propose to use gradient corrections for other local-density approximation schemes based on perturbed hypernetted chain and on quantum Monte Carlo results. Our calculations for various metals and semiconductors show that the proposed schemes generally improve the positron lifetimes when they are confronted with experiment. We also compare the resulting positron affinities in solids with data from slow-positron measurements.

20. Generation of monoenergetic positrons

SciTech Connect

Hulett, L.D. Jr.; Dale, J.M.; Miller, P.D. Jr.; Moak, C.D.; Pendyala, S.; Triftshaeuser, W.; Howell, R.H.; Alvarez, R.A.

1983-01-01

Many experiments have been performed in the generation and application of monoenergetic positron beams using annealed tungsten moderators and fast sources of /sup 58/Co, /sup 22/Na, /sup 11/C, and LINAC bremstrahlung. This paper will compare the degrees of success from our various approaches. Moderators made from both single crystal and polycrystal tungsten have been tried. Efforts to grow thin films of tungsten to be used as transmission moderators and brightness enhancement devices are in progress.

1. Applications and advances of positron beam spectroscopy: appendix a

SciTech Connect

Howell, R. H., LLNL

1997-11-05

Over 50 scientists from DOE-DP, DOE-ER, the national laboratories, academia and industry attended a workshop held on November 5-7, 1997 at Lawrence Livermore National Laboratory jointly sponsored by the DOE-Division of Materials Science, The Materials Research Institute at LLNL and the University of California Presidents Office. Workshop participants were charged to address two questions: Is there a need for a national center for materials analysis using positron techniques and can the capabilities at Lawrence Livermore National Laboratory serve this need. To demonstrate the need for a national center the workshop participants discussed the technical advantages enabled by high positron currents and advanced measurement techniques, the role that these techniques will play in materials analysis and the demand for the data. There were general discussions lead by review talks on positron analysis techniques, and their applications to problems in semiconductors, polymers and composites, metals and engineering materials, surface analysis and advanced techniques. These were followed by focus sessions on positron analysis opportunities in these same areas. Livermore now leads the world in materials analysis capabilities by positrons due to developments in response to demands of science based stockpile stewardship. There was a detailed discussion of the LLNL capabilities and a tour of the facilities. The Livermore facilities now include the worlds highest current beam of keV positrons, a scanning pulsed positron microprobe under development capable of three dimensional maps of defect size and concentration, an MeV positron beam for defect analysis of large samples, and electron momentum spectroscopy by positrons. This document is a supplement to the written summary report. It contains a complete schedule, list of attendees and the vuegraphs for the presentations in the review and focus sessions.

2. Pseudo Order Kinetics Model to Predict the Adsorption Interaction of Corn-Stalk Adsorbent Surface with Metal Ion Adsorbate Cu (II) and Fe (II)

Haryanto, B.; Singh, W. B.; Barus, E. S.; Ridho, A.; Rawa, M. R.

2017-01-01

The adsorption process using cornstalk as adsorbent was used to remove the single metal ion such as copper ion and cadmium ion. The adsorption kinetics of each contaminant then used to predict the interaction type of metal ion on surface of corn stalk by calculating pseudo order 1st and 2nd. The identification type as chemically or physically interaction was predicted from the quality of r2 by plotting the adsorption capacity (q) and time (t). The r2 were 0.01 and 0.99 for pseudo order 1st and 2nd respectively for Fe (II). The r2 were 0.26 and 0.999 for pseudo order 1st and 2nd respectively for Cu (II). The result of adsorption interaction of metal ion and surface function of corn stalk is chemical type. SEM/EDX confirmed the Cu2+ presence on cornstalk surface.

3. Liquid metal reactor deactivation as applied to the experimental breeder reactor - II.

SciTech Connect

Earle, O. K.; Michelbacher, J. A.; Pfannenstiel, D. F.; Wells, P. B.

1999-05-28

The Experimental Breeder Reactor-II (EBR-II) at Argonne National Laboratory-West (ANL-W) was shutdown in September, 1994. This sodium cooled reactor had been in service since 1964, and by the US Department of Energy (DOE) mandate, was to be placed in an industrially and radiologically safe condition for ultimate decommissioning. The deactivation of a liquid metal reactor presents unique concerns. The first major task associated with the project was the removal of all fueled assemblies. In addition, sodium must be drained from systems and processed for ultimate disposal. Residual quantities of sodium remaining in systems must be deactivated or inerted to preclude future hazards associated with pyrophoricity and generation of potentially explosive hydrogen gas. A Sodium Process Facility (SPF) was designed and constructed to react the elemental sodium from the EBR-II primary and secondary systems to sodium hydroxide for disposal. This facility has a design capacity to allow the reaction of the complete inventory of sodium at ANL-W in less than two years. Additional quantities of sodium from the Fermi-1 reactor are also being treated at the SPF.

4. Negative interference of metal (II) ions with nucleotide excision repair in human cell-free extracts.

PubMed

Calsou, P; Frit, P; Bozzato, C; Salles, B

1996-12-01

Inhibition of the nucleotide excision repair (NER) process is believed to cause the potentiation of the genotoxic and mutagenic effects of DNA damaging agents like UV-light or cisplatin by metal ions. However, the precise underlying molecular mechanism of this phenomenon is still unknown. Using in vitro assays, we have determined the potential interference of several metal (II) ions with the lesion recognition and strand incision/displacement steps of the NER mechanism, independently from the DNA polymerization step. When combinations of an optimal Mg2+ concentration and concentrations of various metal ions in a range from 0.1 to 1 mM were tested, all combinations, with Mn2+ and Ni2+ excepted, inhibited specifically the incision repair activity by human protein extracts. There was a good correlation for Cd2+, Co2+, Fe2+, Cu2+, Hg2+, Pb2+ and Zn2+ between an inhibiting effect on the incision activity and a reduced protein binding activity to a damaged DNA probe as assessed by gel mobility shift assay.

5. Adsorption of Ni(II) and Cd(II) from water by novel chelating sponge and the effect of alkali-earth metal ions on the adsorption.

PubMed

Cheng, Cheng; Wang, Jinnan; Yang, Xin; Li, Aimin; Philippe, Corvini

2014-01-15

Novel chelating sponge (PVA-M-H) was prepared with polyvinyl alcohol by graft polymerization and nucleophilic substitution. E.A, SEM, FT-IR, (13)CNMR, and XPS analyses were used to characterize PVA-M-H. The equilibrium adsorption capacities of PVA-M-H for Ni(II) and Cd(II) were 65.39 and 125.11mgg(-1), respectively. Within the range of 278-308K, the adsorption enthalpy changes of Ni(II) and Cd(II) on PVA-M-H were about 36.39-37.72kJmol(-1), and the free energy were about -13.27 to -1.7kJmol(-1). Both pseudo-first- and -second-order equations fit the adsorption kinetic curves well, and the initial adsorption rates of Ni(II) and Cd(II) onto PVA-M-H were 17.83 and 34.81mg (gmin)(-1), respectively. Although the presence of alkali-earth metal ions in solution decreased Ni(II) and Cd(II) removal, PVA-M-H still retained more than 60 and 80% of its adsorption capacity even as the concentration of Ca(2+) and Mg(2+) was up to 10mmolL(-1), respectively. Both 0.1M HCl and 0.1M EDTA solution could desorb Ni(II) and Cd(II) from PVA-M-H effectively, and the adsorption capacity of PVA-M-H for Ni(II) and Cd(II) could still maintain more than 90% level without any obvious decrease at the fifth cycle.

6. Positron lifetime spectrometer using a DC positron beam

DOEpatents

Xu, Jun; Moxom, Jeremy

2003-10-21

An entrance grid is positioned in the incident beam path of a DC beam positron lifetime spectrometer. The electrical potential difference between the sample and the entrance grid provides simultaneous acceleration of both the primary positrons and the secondary electrons. The result is a reduction in the time spread induced by the energy distribution of the secondary electrons. In addition, the sample, sample holder, entrance grid, and entrance face of the multichannel plate electron detector assembly are made parallel to each other, and are arranged at a tilt angle to the axis of the positron beam to effectively separate the path of the secondary electrons from the path of the incident positrons.

7. Synthesis, characterization and biological activity of ferrocene-based Schiff base ligands and their metal (II) complexes

Liu, Yu-Ting; Lian, Gui-Dan; Yin, Da-Wei; Su, Bao-Jun

Metal (II) complexes derived from S-benzyl-N-(1-ferrocenyl-3-(4-methylbenzene)acrylketone) dithiocarbazate; HL1, S-benzyl-N-(1-ferrocenyl-3-(4-chlorobenzene)acrylketone)dithiocarbazate; HL2, all the compounds were characterized using various spectroscopic techniques. The molar conductance data revealed that the chelates were non-electrolytes. IR spectra showed that the Schiff bases were coordinated to the metal ions in a bidentate manner with N, S donor sites. The ligands and their metal complexes have been screened for in vitro antibacterial, antifungal properties. The result of these studies have revealed that zinc (II) complexes 6 and 13 of both the ligands and copper (II) complexes 9 of the HL2 were observed to be the most active against all bacterial strains, antifungal activity was overall enhanced after complexation of the ligands.

8. Synthesis, characterization and biological activity of ferrocene-based Schiff base ligands and their metal (II) complexes.

PubMed

Liu, Yu-Ting; Lian, Gui-Dan; Yin, Da-Wei; Su, Bao-Jun

2013-01-01

Metal (II) complexes derived from S-benzyl-N-(1-ferrocenyl-3-(4-methylbenzene)acrylketone) dithiocarbazate; HL(1), S-benzyl-N-(1-ferrocenyl-3-(4-chlorobenzene)acrylketone)dithiocarbazate; HL(2), all the compounds were characterized using various spectroscopic techniques. The molar conductance data revealed that the chelates were non-electrolytes. IR spectra showed that the Schiff bases were coordinated to the metal ions in a bidentate manner with N, S donor sites. The ligands and their metal complexes have been screened for in vitro antibacterial, antifungal properties. The result of these studies have revealed that zinc (II) complexes 6 and 13 of both the ligands and copper (II) complexes 9 of the HL(2) were observed to be the most active against all bacterial strains, antifungal activity was overall enhanced after complexation of the ligands.

9. Synthesis, characterization, electrochemical and biological studies on some metal(II) Schiff base complexes containing quinoxaline moiety.

PubMed

Dhanaraj, Chellaian Justin; Johnson, Jijo

2014-01-24

Novel Co(II), Ni(II), Cu(II) and Zn(II) complexes of Schiff base derived from quinoxaline-2,3-(1,4H)-dione and 4-aminoantipyrine (QDAAP) were synthesized. The ligand and its complexes were characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, FTIR, UV-Vis., mass and (1)H NMR spectral studies. The X band ESR spectrum of the Cu(II) complex at 300 and 77K were also recorded. Thermal studies of the ligand and its complexes show the presence of coordinated water in the Ni(II) and Zn(II) complexes. The coordination behavior of QDAAP is also discussed. All the complexes are mono nuclear and tetrahedral geometry was found for Co(II) complex. For the Ni(II) and Zn(II) complexes, octahedral geometry was assigned and for the Cu(II) complex, square planar geometry has been suggested. The grain size of the complexes was estimated using powder XRD. The surface morphology of the compounds was studied using SEM analysis. Electrochemical behavior of the synthesized complexes in DMF at room temperature was investigated by cyclic voltammetry. The in vitro biological screening of QDAAP and its metal complexes were tested against bacterial species Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. The fungal species include Aspergillus niger, Aspergillus flavus and Candida albicans. The DNA cleavage activity of QDAAP and its complexes were also discussed.

10. Synthesis, characterization, electrochemical and biological studies on some metal(II) Schiff base complexes containing quinoxaline moiety

Justin Dhanaraj, Chellaian; Johnson, Jijo

2014-01-01

Novel Co(II), Ni(II), Cu(II) and Zn(II) complexes of Schiff base derived from quinoxaline-2,3-(1,4H)-dione and 4-aminoantipyrine (QDAAP) were synthesized. The ligand and its complexes were characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, FTIR, UV-Vis., mass and 1H NMR spectral studies. The X band ESR spectrum of the Cu(II) complex at 300 and 77 K were also recorded. Thermal studies of the ligand and its complexes show the presence of coordinated water in the Ni(II) and Zn(II) complexes. The coordination behavior of QDAAP is also discussed. All the complexes are mono nuclear and tetrahedral geometry was found for Co(II) complex. For the Ni(II) and Zn(II) complexes, octahedral geometry was assigned and for the Cu(II) complex, square planar geometry has been suggested. The grain size of the complexes was estimated using powder XRD. The surface morphology of the compounds was studied using SEM analysis. Electrochemical behavior of the synthesized complexes in DMF at room temperature was investigated by cyclic voltammetry. The in vitro biological screening of QDAAP and its metal complexes were tested against bacterial species Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. The fungal species include Aspergillus niger, Aspergillus flavus and Candida albicans. The DNA cleavage activity of QDAAP and its complexes were also discussed.

11. Changes in the adsorbate dipole layer with changing d-filling of the metal (II) (Co, Ni, Cu) phthalocyanines on Au(111).

PubMed

Xiao, Jie; Dowben, Peter A

2009-02-04

In combined photoemission and inverse photoemission spectroscopy studies, we observe changes in the metal phthalocyanine molecular orbital offsets with respect to the conducting gold substrate Fermi level, with the changing d-electron filling of the metal (II) (Co, Ni, Cu) phthalocyanines. The implication is that the interfacial dipole layer depends upon the choice of metal (Co, Ni, Cu) centers within the metal (II) phthalocyanines adsorbed on Au(111).

12. A plasmid containing the human metallothionein II gene can function as an antibody-assisted electrophoretic biosensor for heavy metals.

PubMed

Wooten, Dennis C; Starr, Clarise R; Lyon, Wanda J

2016-01-01

Different forms of heavy metals affect biochemical systems in characteristic ways that cannot be detected with typical metal analysis methods like atomic absorption spectrometry. Further, using living systems to analyze interaction of heavy metals with biochemical systems can be laborious and unreliable. To generate a reliable easy-to-use biologically-based biosensor system, the entire human metallothionein-II (MT-II) gene was incorporated into a plasmid (pUC57-MT) easily replicated in Escherichia coli. In this system, a commercial polyclonal antibody raised against human metal-responsive transcription factor-1 protein (MTF-1 protein) could modify the electrophoretic migration patterns (i.e. cause specific decreases in agarose gel electrophoretic mobility) of the plasmid in the presence or absence of heavy metals other than zinc (Zn). In the study here, heavy metals, MTF-1 protein, and polyclonal anti-MTF-1 antibody were used to assess pUC57-MT plasmid antibody-assisted electrophoretic mobility. Anti-MTF-1 antibody bound both MTF-1 protein and pUC57-MT plasmid in a non-competitive fashion such that it could be used to differentiate specific heavy metal binding. The results showed that antibody-inhibited plasmid migration was heavy metal level-dependent. Zinc caused a unique mobility shift pattern opposite to that of other metals tested, i.e. Zn blocked the antibody ability to inhibit plasmid migration, despite a greatly increased affinity for DNA by the antibody when Zn was present. The Zn effect was reversed/modified by adding MTF-1 protein. Additionally, antibody inhibition of plasmid mobility was resistant to heat pre-treatment and trypsinization, indicating absence of residual DNA extraction-resistant bacterial DNA binding proteins. DNA binding by anti-DNA antibodies may be commonly enhanced by xenobiotic heavy metals and elevated levels of Zn, thus making them potentially effective tools for assessment of heavy metal bioavailability in aqueous solutions and

13. Coordination modes of a schiff base pentadentate derivative of 4-aminoantipyrine with cobalt(II), nickel(II) and copper(II) metal ions: synthesis, spectroscopic and antimicrobial studies.

PubMed

Chandra, Sulekh; Jain, Deepali; Sharma, Amit Kumar; Sharma, Pratibha

2009-01-01

Transition metal complexes of Co(II), Ni(II) and Cu(II) metal ions with general stoichiometry [M(L)X]X and [M(L)SO(4)], where M = Co(II), Ni(II) and Cu(II), L = 3,3'-thiodipropionic acid bis(4-amino-5-ethylimino-2,3-dimethyl-1-phenyl-3-pyrazoline) and X = NO(3)(-), Cl(-) and OAc(-), have been synthesized and structurally characterized by elemental analyses, molar conductance measurements, magnetic susceptibility measurements and spectral techniques like IR, UV and EPR. The nickel(II) complexes were found to have octahedral geometry, whereas cobalt(II) and copper(II) complexes were of tetragonal geometry. The covalency factor (beta) and orbital reduction factor (k) suggest the covalent nature of the complexes. The ligand and its complexes have been screened for their antifungal and antibacterial activities against three fungi, i.e. Alternaria brassicae, Aspergillus niger and Fusarium oxysporum and two bacteria, i.e. Xanthomonas compestris and Pseudomonas aeruginosa.

14. Metal-pyrazolyl diazine interaction: synthesis, structure and electrochemistry of binuclear transition metal(II) complexes derived from an 'end-off' compartmental Schiff base ligand.

PubMed

Budagumpi, Srinivasa; Revankar, Vidyanand K

2010-09-15

Pyrazolyl diazine (mu-NN) bridged late first row transition metal(II) complexes have been prepared by the interaction of metal(II) chlorides with an 'end-off' compartmental Schiff base ligand. The ligand system has a strong diazine bridging component and obtained as a condensation product between 1H-pyrazole-3,5-dicarbohydrazide and 3-acetylcoumarin in absolute ethanol. All synthesized compounds are characterized on the basis of various spectral and analytical techniques. Complexes are found to be non-electrolytes and monomeric in nature. The magnetic exchange interactions are very weak because of the more electronegative exogenous chloride, though diazine bridging group bring metal centers in a close proximity.

15. Copper(II)-based metal affinity chromatography for the isolation of the anticancer agent bleomycin from Streptomyces verticillus culture.

PubMed

Gu, Jiesi; Codd, Rachel

2012-10-01

The glycopeptide-based bleomycins are structurally complex natural products produced by Streptomyces verticillus used in combination therapy against testicular and other cancers. Bleomycin has a high affinity towards a range of transition metal ions with the 1:1 Fe(II) complex relevant to its mechanism of action in vivo and the 1:1 Cu(II) complex relevant to its production from culture. The affinity between Cu(II) and bleomycin was the underlying principle for using Cu(II)-based metal affinity chromatography in this work to selectively capture bleomycin from crude S. verticillus culture. A solution of standard bleomycin was retained at a binding capacity of 300 nmol mL(-1) on a 1-mL bed volume of Cu(II)-loaded iminodiacetate (IDA) resin at pH 9 via the formation of the heteroleptic immobilized complex [Cu(IDA)(bleomycin)]. Bleomycin was eluted from the resin at pH 5 as the metal-free ligand under conditions where pK(a) (IDA)II)-loaded IDA resin at pH 9 in 50% yield from bleomycin-containing S. verticillus culture that was pre-processed using XAD-2 resin to remove endogenously bound Cu(II). The approximate 25-fold purification of bleomycin from complex culture supernatant under aqueous conditions in a single step demonstrates the potential of Cu(II)-based metal affinity chromatography as a green chemistry platform for streamlined access to this high-value therapeutic agent.

16. A Plasmid Containing the Human Metallothionein II Gene Can Function as an Antibody-assisted Electrophoretic Biosensor for Heavy Metals

DTIC Science & Technology

2015-01-16

function as an antibody-assisted electrophoretic biosensor for heavy metals 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER...biochemical systems can be laborious and unreliable. To generate a reliable easy-to-use biologically-based biosensor system, the entire human...ARTICLE A plasmid containing the human metallothionein II gene can function as an antibody-assisted electrophoretic biosensor for heavy metals Dennis C

17. Fabrication of hollow metal oxide nanocrystals by etching cuprous oxide with metal(ii) ions: approach to the essential driving force

Sohn, Jong Hwa; Cha, Hyun Gil; Kim, Chang Woo; Kim, Do Kyoung; Kang, Young Soo

2013-10-01

Hollow metal oxide nanocrystals were prepared by etching cuprous oxide with metal ions and were applied as photoelectrodes. As a hard template, polyvinylpyrrolidone stabilized cuprous oxide (PVP-Cu2O) and non-stabilized cuprous oxide (nPVP-Cu2O) were synthesized by a precipitation method. Hollow iron oxide and cobalt oxide nanocrystals with a truncated octahedral morphology were fabricated by an etching reaction with transition metal(ii) ions (Fe2+ or Co2+). In the etching reaction process, a cationic exchange reaction occurs between the divalent metal ion and Cu+ due to the higher Lewis acidity. Facet selective etching of cuprous oxide has been observed during the ionic exchange reaction of Cu+ and O2- ions in PVP-Cu2O complexes with transition metal(ii) ions (Fe2+ or Co2+) at the surface of a (110) facet. Amorphous states of hollow metal oxide products were annealed to form α-Fe2O3 (hematite) and Co3O4 and their crystal structure was examined with X-ray diffraction and HR-TEM. The optical absorption behavior of semiconductor nanocrystals was measured with UV-vis spectroscopy to define band gap energy. The hollow hematite structure has a 2.08 eV band gap and Co3O4 (Co(ii,iii) oxide) has a 1.80 eV indirect band gap. Using these hollow nanocrystals, a metal oxide monolayer film was fabricated with a secondary growth approach and was studied for its photocatalytic properties.Hollow metal oxide nanocrystals were prepared by etching cuprous oxide with metal ions and were applied as photoelectrodes. As a hard template, polyvinylpyrrolidone stabilized cuprous oxide (PVP-Cu2O) and non-stabilized cuprous oxide (nPVP-Cu2O) were synthesized by a precipitation method. Hollow iron oxide and cobalt oxide nanocrystals with a truncated octahedral morphology were fabricated by an etching reaction with transition metal(ii) ions (Fe2+ or Co2+). In the etching reaction process, a cationic exchange reaction occurs between the divalent metal ion and Cu+ due to the higher Lewis acidity

18. Nickel(II) oxide nanostructure derived from metal-organic frameworks and its adsorption capability

Ru, Shuai; Xu, Lina; Xiao, Hongping; Li, Xinhua

2016-11-01

Nanosized nickel(II) oxide (NiO) was obtained by oxidation of ([(Ni2(nic)4(H2O)] n , nic = nicotinic acid), a metal-organic framework (MOF), at 350 °C. Nanosized NiO assembled to form block NiO having a mesoporous structure similar to the porous structure of activated carbon block. This bulk NiO exhibits excellent adsorbing capability, with 100% higher adsorption capacities than the [(Ni2(nic)4(H2O)] n MOF towards toluene and water steam; therefore, it can find potential application in gas adsorption. Moreover, this bulk NiO can be synthesized using a facile, environment-friendly, and cost-effective method, and exhibits excellent hydrothermal stability, which is not commonly observed for MOFs.

19. Surface complexation of heavy metal cations on clay edges: insights from first principles molecular dynamics simulation of Ni(II)

Zhang, Chi; Liu, Xiandong; Lu, Xiancai; He, Mengjia; Jan Meijer, Evert; Wang, Rucheng

2017-04-01

Aiming at an atomistic mechanism of heavy metal cation complexing on clay surfaces, we carried out systematic first principles molecular dynamics (FPMD) simulations to investigate the structures, free energies and acidity constants of Ni(II) complexes formed on edge surfaces of 2:1 phyllosilicates. Three representative complexes were studied, including monodentate complex on the tbnd SiO site, bidentate complex on the tbnd Al(OH)2 site, and tetradentate complex on the octahedral vacancy where Ni(II) fits well into the lattice. The complexes structures were characterized in detail. Computed free energy values indicate that the tetradentate complex is significantly more stable than the other two. The calculated acidity constants indicate that the tetradentate complex can get deprotonated (pKa = 8.4) at the ambient conditions whereas the other two hardly deprotonate due to extremely high pKa values. By comparing with the 2 Site Protolysis Non Electrostatic Surface Complexation and Cation Exchange (2SPNE SC/CE) model, the vacant site has been assigned to the strong site and the other two to the weak site, respectively. Thus a link has been built between atomistic simulations and macroscopic experiments and it is deduced that this should also apply to other heavy metal cations based on additional simulations of Co(II) and Cu(II) and previous simulations of Fe(II) and Cd(II)). This study forms a physical basis for understanding the transport and fixation of heavy metal elements in many geologic environments.

20. HIGH-RESOLUTION SPECTROSCOPY OF EXTREMELY METAL-POOR STARS IN THE LEAST EVOLVED GALAXIES: BOÖTES II

SciTech Connect

Ji, Alexander P.; Frebel, Anna; Simon, Joshua D.; Geha, Marla

2016-01-20

We present high-resolution Magellan/MIKE spectra of the four brightest confirmed red giant stars in the ultra-faint dwarf galaxy Boötes II (Boo II). These stars all inhabit the metal-poor tail of the Boo II metallicity distribution function. The chemical abundance pattern of all detectable elements in these stars is consistent with that of the Galactic halo. However, all four stars have undetectable amounts of neutron-capture elements Sr and Ba, with upper limits comparable to the lowest ever detected in the halo or in other dwarf galaxies. One star exhibits significant radial velocity variations over time, suggesting it to be in a binary system. Its variable velocity has likely increased past determinations of the Boo II velocity dispersion. Our four stars span a limited metallicity range, but their enhanced α-abundances and low neutron-capture abundances are consistent with the interpretation that Boo II has been enriched by very few generations of stars. The chemical abundance pattern in Boo II confirms the emerging trend that the faintest dwarf galaxies have neutron-capture abundances distinct from the halo, suggesting the dominant source of neutron-capture elements in halo stars may be different than in ultra-faint dwarfs.

1. Synthesis, structural characterization, thermal and electrochemical studies of the N,N'-bis[(3,4-dichlorophenyl)methylidene]cyclohexane-1,4-diamine and its Cu(II), Co(II) and Ni(II) metal complexes.

PubMed

Dolaz, Mustafa; McKee, Vickie; Gölcü, Ayşegül; Tümer, Mehmet

2009-01-01

In this study, N,N'-bis[(3,4-dichlorophenyl)methylidene]cyclohexane-1,4-diamine (L) and its Cu(II), Co(II) and Ni(II) complexes were prepared and characterized by the analytical and spectroscopic methods. The analytical data show the composition of the metal complex to be [M(2)L(Cl)(4)(H(2)O)(2)], where L is the Schiff base ligand. The conductance data indicate that all the complexes are non-electrolytes. The compound (L) behaves as a monodentate ligand. But, obtained complexes have binuclear nature. The electrochemical properties of the metal complexes are dependent on reversible, irreversible and quasi-reversible redox waves in the anodic and cathodic regions due to oxidation and reduction of the metal ions. The single crystal of the ligand (L) was obtained from CH(3)CN solution. Space group and crystal system of the ligand are P2(1)/C and monoclinic, respectively.

2. Positron studies in catalysis research. Progress report, September 1993--April 1994, and final report, 15 January 1990--14 January 1994

SciTech Connect

Not Available

1994-06-01

During the past eight months, the authors have made progress in several areas relevant to the eventual use of positron techniques in catalysis research. They have come closer to the completion of their positron microscope, and at the same time have performed several studies in their non-microscopic positron spectrometer which should ultimately be applicable to catalysis. The current status of the efforts in each of these areas is summarized in the following sections: Construction of the positron microscope (optical element construction, data collection software, and electronic sub-assemblies); Doppler broadening spectroscopy of metal silicide; Positron lifetime spectroscopy of glassy polymers; and Positron lifetime measurements of pore-sizes in zeolites.

3. Observations of M33 H II Regions: the Ne/S ratio, metallicity, and ionization variations

Rubin, R. H.; Simpson, J. P.; McNabb, I. A.; Brunner, G.; Colgan, S. W. J.; Dufour, R. J.; Pauldrach, A. W. A.; Browne, A. D.; Zhang, R.; Csongradi, E. J.

2009-01-01

We have observed emission lines of [S IV] 10.51, H(7--6) 12.37, [Ne II] 12.81, [Ne III] 15.56, and [S III] 18.71 μm in a number of extragalactic H II regions with the Spitzer Space Telescope. A previous paper presented our data and analysis for the substantially face-on spiral galaxy M83. Here we report our results for the local group spiral galaxy M33. The nebulae selected cover a wide range of galactocentric radii (R_G). The observations were made with the Infrared Spectrograph with the short wavelength, high resolution module. The above set of five lines is observed cospatially, thus permitting a reliable comparison of the fluxes. From the measured fluxes, we determine the ionic abundance ratios including Ne++/Ne^+, S3+/S++, and S++/Ne^+ and find that there is a correlation of increasingly higher ionization with larger R_G. By sampling the dominant ionization states of Ne (Ne^+, Ne++) and S (S++, S3+) for H II regions, we can estimate the Ne/H, S/H, and Ne/S ratios. We find that there is a decrease in metallicity with increasing R_G. There is no apparent variation in the Ne/S ratio with R_G. Unlike our previous similar study of M83, where we conjectured that this ratio was an upper limit, for M33 the derived ratios are likely a robust indication of Ne/S. This occurs because the H II regions have lower metallicity and higher ionization than those in M83. Both Ne and S are primary elements produced in α-chain reactions, following C and O burning in stars, making their yields depend very little on the stellar metallicity. Thus, it is expected that Ne/S remains relatively constant throughout a galaxy. The median (average) Ne/S ratio derived for H II regions in M33 is 16.3 (16.9), just slightly higher than the Orion Nebula value of 14.3. These values are in sharp contrast with the much lower canonical", but controversial, solar value of ˜5. A recent nucleosynthesis, galactic chemical evolution model predicts a Ne/S abundance of ˜9. Our observations may also be

4. Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.

PubMed

Xiao, Dianne J; Gonzalez, Miguel I; Darago, Lucy E; Vogiatzis, Konstantinos D; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R

2016-06-08

The air-free reaction of CoCl2 with 1,3,5-tri(1H-1,2,3-triazol-5-yl)benzene (H3BTTri) in N,N-dimethylformamide (DMF) and methanol leads to the formation of Co-BTTri (Co3[(Co4Cl)3(BTTri)8]2·DMF), a sodalite-type metal-organic framework. Desolvation of this material generates coordinatively unsaturated low-spin cobalt(II) centers that exhibit a strong preference for binding O2 over N2, with isosteric heats of adsorption (Qst) of -34(1) and -12(1) kJ/mol, respectively. The low-spin (S = 1/2) electronic configuration of the metal centers in the desolvated framework is supported by structural, magnetic susceptibility, and computational studies. A single-crystal X-ray structure determination reveals that O2 binds end-on to each framework cobalt center in a 1:1 ratio with a Co-O2 bond distance of 1.973(6) Å. Replacement of one of the triazolate linkers with a more electron-donating pyrazolate group leads to the isostructural framework Co-BDTriP (Co3[(Co4Cl)3(BDTriP)8]2·DMF; H3BDTriP = 5,5'-(5-(1H-pyrazol-4-yl)-1,3-phenylene)bis(1H-1,2,3-triazole)), which demonstrates markedly higher yet still fully reversible O2 affinities (Qst = -47(1) kJ/mol at low loadings). Electronic structure calculations suggest that the O2 adducts in Co-BTTri are best described as cobalt(II)-dioxygen species with partial electron transfer, while the stronger binding sites in Co-BDTriP form cobalt(III)-superoxo moieties. The stability, selectivity, and high O2 adsorption capacity of these materials render them promising new adsorbents for air separation processes.

5. Positron Emission Tomography (PET)

DOE R&D Accomplishments Database

Welch, M. J.

1990-01-01

Positron emission tomography (PET) assesses biochemical processes in the living subject, producing images of function rather than form. Using PET, physicians are able to obtain not the anatomical information provided by other medical imaging techniques, but pictures of physiological activity. In metaphoric terms, traditional imaging methods supply a map of the body's roadways, its, anatomy; PET shows the traffic along those paths, its biochemistry. This document discusses the principles of PET, the radiopharmaceuticals in PET, PET research, clinical applications of PET, the cost of PET, training of individuals for PET, the role of the United States Department of Energy in PET, and the futures of PET.

6. Quantum positron acoustic waves

SciTech Connect

Metref, Hassina; Tribeche, Mouloud

2014-12-15

Nonlinear quantum positron-acoustic (QPA) waves are investigated for the first time, within the theoretical framework of the quantum hydrodynamic model. In the small but finite amplitude limit, both deformed Korteweg-de Vries and generalized Korteweg-de Vries equations governing, respectively, the dynamics of QPA solitary waves and double-layers are derived. Moreover, a full finite amplitude analysis is undertaken, and a numerical integration of the obtained highly nonlinear equations is carried out. The results complement our previously published results on this problem.

7. Positron Emission Tomography (PET)

SciTech Connect

Welch, M.J.

1990-01-01

Positron emission tomography (PET) assesses biochemical processes in the living subject, producing images of function rather than form. Using PET, physicians are able to obtain not the anatomical information provided by other medical imaging techniques, but pictures of physiological activity. In metaphoric terms, traditional imaging methods supply a map of the body's roadways, its, anatomy; PET shows the traffic along those paths, its biochemistry. This document discusses the principles of PET, the radiopharmaceuticals in PET, PET research, clinical applications of PET, the cost of PET, training of individuals for PET, the role of the United States Department of Energy in PET, and the futures of PET. 22 figs.

8. Synthesis and characterization of transition metal 2,6-pyridinedicarboxylic acid derivatives, interactions of Cu(II) and Ni(II) complexes with DNA in vitro

Khan, Sadaf; Nami, Shahab A. A.; Siddiqi, K. S.; Husain, Eram; Naseem, Imrana

2009-03-01

Mononuclear complexes M(L)Cl 2 where M = Mn(II), Fe(II), Co(II), Ni(II) and Cu(II) and (L = N,N-diethylpiperazinyl,2,6-pyridinedicarboxylate), have been synthesized and characterized by elemental analysis, FT-IR, 1H NMR spectroscopy, UV-vis, magnetic moment, TGA/DSC, cyclic voltammetry and conductivity measurement data. The spectral data suggests that the dipicolinic acid acts as a bidentate ligand and is coordinated to the metal ion through the carboxylate oxygen. The cyclic voltammogram for Cu(L)Cl 2 complex was found to display two reversible Cu(II)/Cu(I) and Cu(II)/Cu(III) redox couple. The ligand exhibits a two-step thermolytic pattern while the complexes decompose in three stages respectively. An octahedral geometry has been proposed for both the complexes. The investigation of the interaction of the complexes with calf thymus DNA has been performed with absorption spectroscopy and fluorescence quenching experiments, which showed that the complexes are avid binders of calf thymus DNA. Also the interaction of the Cu(II) and Ni(II) complexes with plasmid DNA (pUC 19) was studied using agarose gel electrophoresis. The results revealed that these complexes can act as effective DNA cleaving agents resulting in the nicked form of DNA (pUC 19) under physiological conditions. The gel was run both in the absence and presence of an oxidizing agent (H 2O 2). The ligand and its complexes have also been screened against microbes in order to study their antibacterial action. The results revealed that the Cu(II) complex has activity comparable with the reference drugs gentamycin and flucanzole.

9. Positron sensing of distribution of defects in depth materials

Kupchishin, A. I.; Kupchishin, A. A.; Voronova, N. A.; Kirdyashkin, V. I.

2016-02-01

It was developed a non-destructive method of positron sensing, which allows to determine the distribution of defects in the depth of the material. From the analysis we can conclude that the angular distribution curves of annihilation photons (well as and on the characteristics in experiments on the lifetime, 3γ - angular correlation, Doppler effect) is influenced by three main factors: a) The distribution of defects in the depth of the material, their dimensions as well as parameters of the interaction of positrons with defects. With increasing the concentration of defects the intensity Jγ(a, ξ) varies more; b) Modification of the energy spectrum of slow positrons due to the influence of defects, wherein the spectrum of positrons becomes softer, and the average energy of the positron annihilation is reduced; c) Deformation of the momentum distribution of the electrons in the region of defect. The energy spectrum of electrons is also becomes softer, and the average energy of the electrons (on which positrons annihilate) is less. The experimentally were measured spectra of photons in the zone of annihilation and were calculated the distribution of defects in depth for a number of metals.

10. Assembly of three novel metal (II) complexes based on polycarboxylate and 1,10-phenanthroline ligands

Chen, Xiaoli; Qiao, Yali; Gao, Loujun; Cui, Huali; Zhang, Meili; Lv, Junfang

2013-04-01

With the principles of crystal engineering, three novel metal(II) complexes, [Cu2(betd)(phen)4].15H2O (1), [Cd4(betd)2(phen)8]ṡ28H2O (2) and {[Co2(betd)(phen)2(H2O)2]·2H2O}n (3) (H4betd = bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acid, phen = 1,10-phenanthroline) were synthesized and structurally characterized by elemental analyses, IR spectroscopy, single-crystal X-ray diffraction analyses, TGA, powder XRD and fluorescent measurements. Complex 1 is a binuclear structure, novel water tapes are observed to be encapsulated in the 3D open supramolecular architecture by hydrogen bond interactions. In 2, two pairs of CdII ions joined with two (betd)4- ions to form a cyclic tetranuclear structure. The neighboring tetranuclear units are linked into 2D network through π⋯π stacking interactions. Interestingly, the lattice H2O molecules are joined by strong hydrogen bond interactions generating a wavy water layer, which contacts the 2D network to form 3D supramolecular structure. 3 shows a 2D (4, 4) grid network, which are assembled in an ABAB sequence to 3D supramolecular structures via π⋯π stacking interactions between two central phen ligands from two adjacent sheets and hydrogen bond interactions.

11. Abundances of heavy elements in metal deficient stars II. Detailed spectroscopic analysis

Zhao, Gang

1994-01-01

In this paper, we determine the abundances of a number of neutron capture elements in metal-poor dwarfs and subgiants. The strontium, yttrium, zirconium, barium, lanthanum, cerium and europium abundances are deduced in a sample of 10 to 20 stars on the basis of high resolution, high signal-to-noise spectra. The main results are: (1) The elements of the first peak, strontium-yttrium-zirconium, show the odd-even effect: strontium and zirconium are less deficient than yttrium in Population II stars. (2) The yttrium abundance is constant ([ Y/Fe] = -0.06) for all stars with [ Fe/H] > -2.5 . (3) The barium overdeficiency increases with decreasing metallicity when [ Fe/H] < -1.7 . (4) Lanthanum and cerium are overdeficient with respect to iron. (5) Europium is overabundant for -1 > [ Fe/H] > -2 . (6) There is a real cosmic scatter in [ Y/Fe] , [ Zr/Fe] and [ Ba/Fe] , of the order of 0.1 dex.

12. Metal Binding in Photosystem II Super- and Subcomplexes from Barley Thylakoids1

PubMed Central

2015-01-01

Metals exert important functions in the chloroplast of plants, where they act as cofactors and catalysts in the photosynthetic electron transport chain. In particular, manganese (Mn) has a key function because of its indispensable role in the water-splitting reaction of photosystem II (PSII). More and better knowledge is required on how the various complexes of PSII are affected in response to, for example, nutritional disorders and other environmental stress conditions. We here present, to our knowledge, a new method that allows the analysis of metal binding in intact photosynthetic complexes of barley (Hordeum vulgare) thylakoids. The method is based on size exclusion chromatography coupled to inductively coupled plasma triple-quadrupole mass spectrometry. Proper fractionation of PSII super- and subcomplexes was achieved by critical selection of elution buffers, detergents for protein solubilization, and stabilizers to maintain complex integrity. The applicability of the method was shown by quantification of Mn binding in PSII from thylakoids of two barley genotypes with contrasting Mn efficiency exposed to increasing levels of Mn deficiency. The amount of PSII supercomplexes was drastically reduced in response to Mn deficiency. The Mn efficient genotype bound significantly more Mn per unit of PSII under control and mild Mn deficiency conditions than the inefficient genotype, despite having lower or similar total leaf Mn concentrations. It is concluded that the new method facilitates studies of the internal use of Mn and other biometals in various PSII complexes as well as their relative dynamics according to changes in environmental conditions. PMID:26084923

13. Interactions of aqueous selenium (-II) and (IV) with metallic sulfide surfaces.

PubMed

Naveau, Aude; Monteil-Rivera, Fanny; Guillon, Emmanuel; Dumonceau, Jacques

2007-08-01

The present study was initiated to determine the capacity of sulfide minerals (pyrite FeS2 and chalcopyrite CuFeS2) to delay the migration of inorganic selenium species in geological formations. Interactions between Se(IV) and Se(-II) and synthetic and natural sulfide minerals were investigated under anoxic conditions using the batch method. Significant sorption of selenium occurred under acidic conditions. Analysis of the solids after Se sorption using X-ray photoelectron spectroscopy (XPS) and X-ray absorption near edge structure (XANES) demonstrated the presence of reduced selenium species on the metallic sulfide surfaces, thus suggesting an oxido-reduction process coupled with sorption. Selenium reduction occurred concomitantly with the oxidation of pyritic sulfur, whereas metallic species (Fe, Cu) were not involved in the redox process. Formation of ferroselite (FeSe2) was postulated to take place on the synthetic solid while surface complexation or ionic exchange processes were more likely on the natural solids.

14. Ceramics reinforced metal base composite coatings produced by CO II laser cladding

Yang, Xichen; Wang, Yu; Yang, Nan

2008-03-01

Due to the excellent performance in high strength, anti-temperature and anti-wear, ceramics reinforced metal base composite material was used in some important fields of aircraft, aerospace, automobile and defense. The traditional bulk metal base composite materials are the expensive cost, which is limited in its industrial application. Development of laser coating of ceramics reinforced metal base composite is very interesting in economy. This paper is focused on three laser cladding ceramics coatings of SiC particle /Al matrix , Al IIO 3 powder/ Al matrix and WC + Co/mild steel matrix. Powder particle sizes are of 10-60μm. Chemical contents of aluminum matrix are of 3.8-4.0% Cu, 1.2-1.8% Mg, 0.3-0.99% Mn and balance Al. 5KW CO II laser, 5 axes CNC table, JKF-6 type powder feeder and co-axis feeder nozzle are used in laser cladding. Microstructure and performance of laser composite coatings have been respectively examined with OM,SEM and X-ray diffraction. Its results are as follows : Microstructures of 3C-,6H- and 5H- SiC particles + Al + Al 4SiC 4 + Si in SiC/Al composite, hexagonal α-Al IIO 3 + cubic γ-Al IIO 3 + f.c.c Al in Al IIO 3 powder/ Al composite and original WC particles + separated WC particles + eutectic WC + γ-Co solid solution + W IIC particles in WC + Co/steel coatings are respectively recognized. New microstructures of 5H-SiC in SiC/Al composite, cubic γ-Al IIO 3 in Al IIO 3 composite and W IIC in WC + Co/ steel composite by laser cladding have been respectively observed.

15. Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.

PubMed

Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut

2016-04-04

A ditopic receptor L1, having metal binding bis(2-picolyl) donor and anion binding urea group, is synthesized and explored toward metal sulfate recognition via formation of dinuclear assembly, (L1)2M2(SO4)2. Mass spectrometric analysis, (1)H-DOSY NMR, and crystal structure analysis reveal the existence of a dinuclear assembly of MSO4 with two units of L1. (1)H NMR study reveals significant downfield chemical shift of -NH protons of urea moiety of L1 selectively with metal sulfates (e.g., ZnSO4, CdSO4) due to second-sphere interactions of sulfate with the urea moiety. Variable-temperature (1)H NMR studies suggest the presence of intramolecular hydrogen bonding interaction toward metal sulfate recognition in solution state, whereas intermolecular H-bonding interactions are observed in solid state. In contrast, anions in their tetrabutylammonium salts fail to interact with the urea -NH probably due to poor acidity of the tertiary butyl urea group of L1. Metal sulfate binding selectivity in solution is further supported by isothermal titration calorimetric studies of L1 with different Zn salts in dimethyl sulfoxide (DMSO), where a binding affinity is observed for ZnSO4 (Ka = 1.23 × 10(6)), which is 30- to 50-fold higher than other Zn salts having other counteranions in DMSO. Sulfate salts of Cd(II)/Co(II) also exhibit binding constants in the order of ∼1 × 10(6) as in the case of ZnSO4. Positive role of the urea unit in the selectivity is confirmed by studying a model ligand L2, which is devoid of anion recognition urea unit. Structural characterization of four MSO4 [M = Zn(II), Cd(II), Co(II), Mn(II)] complexes of L1, that is, complex 1, [(L1)2(Zn)2(μ-SO4)2]; complex 2, [(L1)2(H2O)2(Cd)2(μ-SO4)2]; complex 3, [(L1)2(H2O)2(Co)2(μ-SO4)2]; and complex 4, [(L1)2(H2O)2(Mn)2(μ-SO4)2], reveal the formation of sulfate-bridged eight-membered crownlike binuclear complexes, similar to one of the concentration-dependent dimeric forms of MSO4 as observed in solid state

16. Cyclotrons and positron emitting radiopharmaceuticals

SciTech Connect

Wolf, A.P.; Fowler, J.S.

1984-01-01

The state of the art of Positron Emission Tomography (PET) technology as related to cyclotron use and radiopharmaceutical production is reviewed. The paper discusses available small cyclotrons, the positron emitters which can be produced and the yields possible, target design, and radiopharmaceutical development and application. 97 refs., 12 tabs. (ACR)

17. Portable Positron Measurement System (PPMS)

SciTech Connect

2011-01-01

Portable Positron Measurement System (PPMS) is an automated, non-destructive inspection system based on positron annihilation, which characterizes a material's in situatomic-level properties during the manufacturing processes of formation, solidification, and heat treatment. Simultaneous manufacturing and quality monitoring now are possible. Learn more about the lab's project on our facebook site http://www.facebook.com/idahonationallaboratory.

18. Portable Positron Measurement System (PPMS)

ScienceCinema

None

2016-07-12

Portable Positron Measurement System (PPMS) is an automated, non-destructive inspection system based on positron annihilation, which characterizes a material's in situatomic-level properties during the manufacturing processes of formation, solidification, and heat treatment. Simultaneous manufacturing and quality monitoring now are possible. Learn more about the lab's project on our facebook site http://www.facebook.com/idahonationallaboratory.

19. Undulator Production of Polarized Positrons

SciTech Connect

William M. Bugg

2008-08-27

E-166 at SLAC has demonstrated the feasibilty of production of polarized positrons for the International Linear Collider using a helical undulator to produce polarized photons which are converted in a thin target to polarized positrons. The success of the experim ent has resulted in the choice of this technique for the baseline design of ILC.

20. Synthesis, characterization and electrical properties of peripherally tetra-aldazine substituted novel metal free phthalocyanine and its zinc(II) and nickel(II) complexes.

PubMed

Bayrak, Rıza; Dumludağ, Fatih; Akçay, Hakkı Türker; Değirmencioğlu, İsmail

2013-03-15

The novel phthalonitrile containing azine segment and its corresponding tetra aldazine substituted metal free- and metallo-phthalocyanines (Zn(II) and Ni(II)) were synthesized and characterized by IR, (1)H NMR, Mass, UV-Vis spectroscopy and elemental analysis and addition to these techniques for substituted phthalonitrile (13)C NMR have been used. In addition, dc and ac electrical properties of the films of these novel phthalocyanines were investigated as a function of temperature (295-523 K) and frequency (40-10(5)Hz). Activation energy values of the films of the phthalocyanines were calculated from straight portions of the Arrhenius plot (lnσ(dc)-1/T curves) as 0.70 eV, 0.93 eV and 0.91 eV for the films of metal free, nickel- and zinc-phthalocyanines, respectively. From impedance spectroscopy measurements, it is observed that bulk resistance decreases with increasing temperature indicating semiconductor property.

1. Positron Survival in Type II Supernovae

DTIC Science & Technology

1989-05-01

56Co (daughter of 56Ni) or 4Ti. He predicted that both of these nuclei should be produced during explosive nucleosynthesis . The production of this...turned to cobalt at times of interest to us. I have therefore assumed that 56Co was the explosive nucleosynthesis product. The half-life of 56Co is 78.8...sixth edition, John Wiley and Sons, Inc., 1967, p. 189. Nomoto, K., et al. , "SN 1987A: Progenitor, Nucleosynthesis and Light Curves", 1988, preprint

2. Synthesis of, characterization of, and photoinduced processes in polymetallic triad complexes containing Fe(II), Ru(II), and Rh(III) metal centers

SciTech Connect

Ronco, S.E. |; Thompson, D.W.; Gahan, S.L.; Petersen, J.D. |

1998-04-20

A series of new trimetallic mixed complexes containing Fe(II), Ru(II), and Rh(III) metal centers have been prepared and characterized, and their excited-state properties in a nanosecond time domain have been investigated. These new compounds were synthesized by following a building block strategy from monomeric Rh(III) and Ru(II) polyazines and tetracyanoferrate(II) ions. The products generated in each synthetic step were fully characterized and their excited-state properties investigated. These new trimetallic complexes, [(CN){sub 4}Fe{sup II}(BL(1))Ru{sup II}(bpy)-(BL(2))Rh{sup III}(tpy)(MQ{sup +})](PF{sub 6}){sub 4} (tpy = 2,2{prime}:6{prime}:2{double_prime}-terpyridine; BL(1) = 2,3-bis(2-pyridyl)pyrazine (dpp) or 2,2{prime}-bipyrimidine (bpm); BL(2) = dpp or bpm; MQ{sup +} = N-methyl-4,4{prime}-bipyridinium (monoquat)), consist of three fundamental parts linked by bridging ligands (1) an electron donor group, the tetracyanoferrate(II) unit; (2) an antenna fragment, the Ru(II) polypyridyl moiety; and (3) an electron acceptor group. The electron acceptor group is a Rh(III) polypyridyl that contains the ligands tpy and MQ{sup +}. No emission was observed in any of the reported complexes either in fluid solutions at room temperature or in glassy solutions at 77 K. Time-resolved experiments conducted on these triads showed formation of a transient intermediate within the laser pulse. Redox properties and transient absorption observations helped the authors to identify the nature of this intermediate as an Fe(III)/Ru(II) mixed-valence species that decays exponentially by following a first-order law with a lifetime of {tau} {le} 70 ns in fluid solution at room temperature.

3. Photochemical behavior of antibiotics impacted by complexation effects of concomitant metals: a case for ciprofloxacin and Cu(II).

PubMed

Wei, Xiaoxuan; Chen, Jingwen; Xie, Qing; Zhang, Siyu; Li, Yingjie; Zhang, Yifei; Xie, Hongbin

2015-07-01

Many water bodies, especially those adjacent to aquaculture and livestock breeding areas, are contaminated by both antibiotics and transition metals. However, the effects of the interaction between antibiotics and transition metals on the environmental behavior and the ecotoxicology of antibiotics are largely unknown. We hypothesized that antibiotics may coordinately bind with metal ions, and this complexation may affect the environmental photochemical behavior of antibiotics. We took ciprofloxacin (CIP) and Cu(ii) as a case, and employed simulated sunlight experiments and density functional theory calculations to investigate the underlying reaction mechanisms. The results showed that monovalent cationic ciprofloxacin (H2CIP(+)) that is predominant in the normal pH range (6-9) of surface waters can chelate with hydrated Cu(ii) to form [Cu(H2CIP)(H2O)4](3+). Compared with H2CIP(+), [Cu(H2CIP)(H2O)4](3+) has different molecular orbitals, and atomic charge distribution. As a result, [Cu(H2CIP)(H2O)4](3+) showed dissimilar light absorption properties, slower direct photolytic rates, lower (1)O2 generation ability and weaker reactivity towards (1)O2. Due to the Cu(ii) complexation, the apparent photodegradation of H2CIP(+) was inhibited, and the photolytic pathways and product distribution were altered. This study implies that for an accurate ecological risk assessment of antibiotics under transition metal co-contamination conditions, the effects of metal complexation should be considered.

4. Heavy metal binding to heparin disaccharides. II. First evidence for zinc chelation.

PubMed

Whitfield, D M; Sarkar, B

1992-06-01

To map out the heavy metal binding sites of iduronic acid containing oligosaccharides isolated from human kidneys, we studied Zn(II) binding by nuclear magnetic resonance (NMR) and molecular modeling to two disaccharides isolated after nitrous acid depolymerization of heparin and two synthetic disaccharides representative of the heparin structure, namely, IdopA2S (alpha 1,4)AnManOH, 1 alpha, IdopA2S (alpha 1,4)AnManOH6S, 1b, IdopA2S-(alpha 1,4)GlcNS alpha Me, 2a, and IdopA2S (alpha 1,4)GlcNS6S alpha Me, 2b (see previous article in this series). A conformational analysis of the metal free and metal bound solutions was made by comparing calculated [(NOE)]s, [T1]s, and [J]s to experimental values. The 1C4, 4C1, and 2S0 conformations of the L-idopyranosiduronate ring and the 4E and 4T3 of the anhydro-D-mannitol ring are evaluated as are rotations about the C5-C6 hydroxymethylene of the AnManOH(6S) or GlcNS (6S) residues. The NOE between IdopA2S H1 and H3 and the known NOE between H2 and H5, as well as the T1 of IdopA2S H3, are introduced as NMR observables sensitive to the IdopA2S ring conformation. Similarly, a NOE between IdopA2S H5 and AnManOH(6S) or GlcNS(6S) H3 was observed that directly restricts the allowed interglycosidic conformational space. For all disaccharides, the Zn(II) bound spectral data are consistent with models in which these motions are partially "frozen" such that the 1C4 conformation of the IdopA2S is stabilized along with the 4T3 conformation of the AnManOH(6S) ring. The interglycosidic conformation is also stabilized in one of two minima. Electrostatic potential energy calculations gave the best overall agreement with experiment and suggest metal binding conformations with the carboxylate and ring oxygen of the IdopA2S residues (1C4 conformation) and either O3 of the GlcNS(6S) residues or the sulfate oxygens of the 6-sulphate for 2b providing additional chelating sites. These chelation models concur with the observation of marked 13C and 1H NMR

5. Zinc(II) and cadmium(II) metal complexes of thiamine pyrophosphate and 2-(alpha-hydroxyethyl)thiamine pyrophosphate: models for activation of pyruvate decarboxylase.

PubMed

Malandrinos, G; Louloudi, M; Koukkou, A I; Sovago, I; Drainas, C; Hadjiliadis, N

2000-04-01

Metal complexes of thiamine pyrophosphate (TPP) of the general formula [M2(TPPH)2Cl2]x4H2O (M = Zn2+, Cd2+) were isolated from methanolic solutions and characterized by elemental analysis, FT-IR, and multinuclear NMR spectroscopies. The data provide evidence for the bonding of the metals to the N(1') atom of the pyrimidine ring and to the pyrophosphate group. The stability constant measurements of TPP and 2-(alpha-hydroxyethyl)thiamine pyrophosphate (HETPP) metal complexes in aqueous solution imply the formation of dimeric complex species similar to the isolated solid products. They indicate also that HETPP forms more stable metal complexes than does TPP. To evaluate the coenzyme action of TPP and HETPP metal complexes, enzymic studies have been done using pyruvate decarboxylase apoenzyme. TPP metal complexes do not bind to the apoenzyme, unlike the Zn(II)-HETPP complex which can act as coenzyme. Considering these results, possible functional implications for thiamine involvement in catalysis are discussed.

6. Peripherally and non-peripherally tetra-benzothiazole substituted metal-free zinc (II) and lead (II) phthalocyanines: Synthesis, characterization, and investigation of photophysical and photochemical properties

Demirbaş, Ümit; Göl, Cem; Barut, Burak; Bayrak, Rıza; Durmuş, Mahmut; Kantekin, Halit; Değirmencioğlu, İsmail

2017-02-01

In this study, novel phthalonitrile compounds bearing 2-methylbenzo[d]thiazol-5-yloxy groups (4 and 5) and their peripherally and non-peripherally tetra-substituted metal-free (6 and 7), zinc (II) (8 and 9), and lead (II) (10 and 11) phthalocyanine derivatives were synthesized and characterized for the first time. These novel compounds showed extremely good solubility in most common organic solvents. The novel phthalocyanine compounds presented excellent results from photophysical and photochemical examinations in DMF solution. Especially, the singlet oxygen quantum yield (ΦΔ) values of the substituted zinc (II) phthalocyanines indicate that these compounds have significant potential as photosensitizers in cancer treatment by the photodynamic therapy (PDT) technique. The fluorescence quenching behaviour of these novel phthalocyanine compounds by 1,4-benzoquinone (BQ) was also examined in DMF solution.

7. Effect of biofilm coatings at metal-oxide/water interfaces I: Pb(II) and Zn(II) partitioning and speciation at Shewanella oneidensis/metal-oxide/water interfaces

SciTech Connect

Wang, Yingge; Gelabert, Alexandre; Michel, F. Marc; Choi, Yongseong; Gescher, Johannes; Ona-Nguema, Georges; Eng, Peter J.; Bargar, John R.; Farges, Francois; Spormann, Alfred M.; Brown, Jr., Gordon E.

2016-05-30

Microbial biofilms are often present as coatings on metal-oxide surfaces in natural and industrial environments and may induce significant changes in the partitioning behavior and speciation of aqueous metal ions, which in turn can impact their transport and fate. In this study, long-period X-ray standing wave-fluorescence yield (LP-XSW-FY) spectroscopy was used to measure under in situ conditions the partitioning of aqueous Pb(II) and Zn(II) between multilayer Shewanella oneidensis MR-1 biofilms and highly polished, oriented single-crystal surfaces of α-Al2O3 and α-Fe2O3 as a function of metal-ion concentration and time at pH 6.0. We show that after 3-h exposure time, Pb(II) binds preferentially to the alpha-Al2O3 (1-102) and α-Fe2O3 (0001) surfaces at low Pb concentration ([Pb] = 10–7 M) and then increasingly partitions into the biofilm coatings at higher concentrations (10–6 to 10–4 M). In contrast, Zn(II) partitions preferentially into the biofilm coating for both surfaces at all Zn concentrations studied (10–7 to 10–4 M). In comparison, the α-Al2O3 (0001) surface has a low affinity for both Pb(II) and Zn(II), and the biofilm coatings are the dominant sink for both ions. These findings suggest that in the presence of S. oneidensis biofilm coatings, α-Al2O3 (0001) is the least reactive surface for Pb(II) and Zn(II) compared to α-Al2O3 (1-102) and α-Fe2O3 (0001). They also show that Zn(II) has a lower affinity than Pb(II) for reactive sites on α-Al2O3 (1-102) and α-Fe2O3 (0001) at [Me(II)] of 10–7 M; at 10–5 M, the bulk of the metal ions partition into the biofilm coatings. At longer exposure times (20-24 h), both Pb(II) and Zn(II

8. Transition metal complexes of neocryptolepine analogues. Part I: synthesis, spectroscopic characterization, and invitro anticancer activity of copper(II) complexes.

PubMed

Emam, Sanaa Moustafa; El Sayed, Ibrahim El Tantawy; Nassar, Nagla

2015-03-05

New generation of copper(II) complexes with aminoalkylaminoneocryptolepine as bidentate ligands has been synthesized and it is characterized by elemental analyses, magnetic moment, spectra (IR, UV-Vis, (1)H NMR and ESR) and thermal studies. The IR data suggest the coordination modes for ligands which behave as a bidentate with copper(II) ion. Based on the elemental analysis, magnetic studies, electronic and ESR data, binuclear square planar geometry was proposed for complexes 7a, 7b, square pyramidal for 9a, 9b and octahedral for 8a, 8b, 10a, 10b. The molar conductance in DMF solution indicates that all complexes are electrolyte except 7a and 7b. The ESR spectra of solid copper(II) complexes in powder form showed an axial symmetry with (2)B1g as a ground state and hyperfine structure. The thermal stability and degradation of the ligands and their metal complexes were studied employing DTA and TG methods. The metal-free ligands and their copper(II) complexes were tested for their in vitro anticancer activity against human colon carcinoma (HT-29). The results showed that the synthesized copper(II) complexes exhibited higher anticancer activity than their free ligands. Of all the studied copper(II) complexes, the bromo-substituted complex 9b exhibited high anticancer activity at low micromolar inhibitory concentrations (IC50=0.58μM), compared to the other complexes and the free ligands.

9. Transition metal complexes of neocryptolepine analogues. Part I: Synthesis, spectroscopic characterization, and invitro anticancer activity of copper(II) complexes

Emam, Sanaa Moustafa; El Sayed, Ibrahim El Tantawy; Nassar, Nagla

2015-03-01

New generation of copper(II) complexes with aminoalkylaminoneocryptolepine as bidentate ligands has been synthesized and it is characterized by elemental analyses, magnetic moment, spectra (IR, UV-Vis, 1H NMR and ESR) and thermal studies. The IR data suggest the coordination modes for ligands which behave as a bidentate with copper(II) ion. Based on the elemental analysis, magnetic studies, electronic and ESR data, binuclear square planar geometry was proposed for complexes 7a, 7b, square pyramidal for 9a, 9b and octahedral for 8a, 8b, 10a, 10b. The molar conductance in DMF solution indicates that all complexes are electrolyte except 7a and 7b. The ESR spectra of solid copper(II) complexes in powder form showed an axial symmetry with 2B1g as a ground state and hyperfine structure. The thermal stability and degradation of the ligands and their metal complexes were studied employing DTA and TG methods. The metal-free ligands and their copper(II) complexes were tested for their in vitro anticancer activity against human colon carcinoma (HT-29). The results showed that the synthesized copper(II) complexes exhibited higher anticancer activity than their free ligands. Of all the studied copper(II) complexes, the bromo-substituted complex 9b exhibited high anticancer activity at low micromolar inhibitory concentrations (IC50 = 0.58 μM), compared to the other complexes and the free ligands.

10. Surface Charge Transfer Doping via Transition Metal Oxides for Efficient p-Type Doping of II-VI Nanostructures.

PubMed

Xia, Feifei; Shao, Zhibin; He, Yuanyuan; Wang, Rongbin; Wu, Xiaofeng; Jiang, Tianhao; Duhm, Steffen; Zhao, Jianwei; Lee, Shuit-Tong; Jie, Jiansheng

2016-11-22

Wide band gap II-VI nanostructures are important building blocks for new-generation electronic and optoelectronic devices. However, the difficulty of realizing p-type conductivity in these materials via conventional doping methods has severely handicapped the fabrication of p-n homojunctions and complementary circuits, which are the fundamental components for high-performance devices. Herein, by using first-principles density functional theory calculations, we demonstrated a simple yet efficient way to achieve controlled p-type doping on II-VI nanostructures via surface charge transfer doping (SCTD) using high work function transition metal oxides such as MoO3, WO3, CrO3, and V2O5 as dopants. Our calculations revealed that these oxides were capable of drawing electrons from II-VI nanostructures, leading to accumulation of positive charges (holes injection) in the II-VI nanostructures. As a result, Fermi levels of the II-VI nanostructures were shifted toward the valence band regions after surface modifications, along with the large enhancement of work functions. In situ ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy characterizations verified the significant interfacial charge transfer between II-VI nanostructures and surface dopants. Both theoretical calculations and electrical transfer measurements on the II-VI nanostructure-based field-effect transistors clearly showed the p-type conductivity of the nanostructures after surface modifications. Strikingly, II-VI nanowires could undergo semiconductor-to-metal transition by further increasing the SCTD level. SCTD offers the possibility to create a variety of electronic and optoelectronic devices from the II-VI nanostructures via realization of complementary doping.

11. Evaluation of irradiated pressure vessel steel by mechanical tests and positron annihilation lineshape analysis

SciTech Connect

Nakamura, Noriko; Ohta, Yoshio; Yoshida, Kazuo; Maeda, Noriyoshi

1999-10-01

Mechanical test and positron annihilation lineshape analysis have been performed on neutron irradiated pressure vessel steels, A533B1 steel and the weld metal. Marked changes in the mechanical properties were observed for both metals after the neutron exposure. S-parameters, the positron annihilation parameters, also increased after the neutron irradiation but only the small change was observed in the different levels of neutron fluence. The change in S-parameter and the mechanical properties were well correlated. It is concluded that changes in embrittlement induced by radiation can be monitored by positron annihilation lineshape analysis but detectability is dependent on the materials.

12. Syntheses, structural characterization and spectroscopic studies of cadmium(II)-metal(II) cyanide complexes with 4-(2-aminoethyl)pyridine

Karaağaç, Dursun; Kürkçüoğlu, Güneş Süheyla; Şenyel, Mustafa; Hökelek, Tuncer

2017-02-01

Three new cadmium(II)-metal(II) cyanide complexes, [Cd(4aepy)2(H2O)2][Ni(CN)4] (1), [Cd(4aepy)2(H2O)2][Pd(CN)4] (2) and [Cd(4aepy)2(H2O)2][Pt(CN)4] (3) [4aepy = 4-(2-aminoethyl)pyridine], have been synthesized and characterized by elemental, thermal, FT-IR and Raman spectral analyses. The crystal structures of 1 and 2 have been determined by single crystal X-ray diffraction technique, in which they crystallize in the monoclinic system and C2/c space group. The M(II) [M(II) = Ni(II), Pd(II) and Pt(II)] ions are coordinated with the carbon atoms of the four cyanide groups in the square planar geometries and the [M(CN)4]2- ions act as counter ions. The Cd(II) ions display an N4O2 coordination sphere with a distorted octahedral geometry, the nitrogen donors belonging to four molecules of the organic 4aepy that act as unidentate ligands and two oxygen atoms from aqua ligands. 3D supramolecular structures of 1 and 2 were occurred by M⋯π and hydrogen bonding (Nsbnd H⋯N and Osbnd H⋯N) interactions. Vibrational assignments of all the observed bands were given and the spectral properties were also supported the crystal structures of the complexes. A possible decompositions of the complexes were investigated in the temperature range 30-800 °C in the static atmosphere.

13. Positron emission mammography imaging

SciTech Connect

Moses, William W.

2003-10-02

This paper examines current trends in Positron Emission Mammography (PEM) instrumentation and the performance tradeoffs inherent in them. The most common geometry is a pair of parallel planes of detector modules. They subtend a larger solid angle around the breast than conventional PET cameras, and so have both higher efficiency and lower cost. Extensions to this geometry include encircling the breast, measuring the depth of interaction (DOI), and dual-modality imaging (PEM and x-ray mammography, as well as PEM and x-ray guided biopsy). The ultimate utility of PEM may not be decided by instrument performance, but by biological and medical factors, such as the patient to patient variation in radiotracer uptake or the as yet undetermined role of PEM in breast cancer diagnosis and treatment.

14. Crystallographic studies of metal ion-DNA interactions: different binding modes of cobalt(II), copper(II) and barium(II) to N7 of guanines in Z-DNA and a drug-DNA complex.

PubMed Central

Gao, Y G; Sriram, M; Wang, A H

1993-01-01

Metal ion coordination to nucleic acids is not only required for charge neutralization, it is also essential for the biological function of nucleic acids. The structural impact of different metal ion coordinations of DNA helices is an open question. We carried out X-ray diffraction analyses of the interactions of the two transition metal ions Co(II) and Cu(II) and an alkaline earth metal ion Ba(II), with DNA of different conformations. In crystals, Co(II) ion binds exclusively at the N7 position of guanine bases by direct coordination. The coordination geometry around Co(II) is octahedral, although some sites have an incomplete hydration shell. The averaged Co-N7 bond distance is 2.3 A. The averaged Co-N7-C8 angle is 121 degrees, significantly smaller than the value of 128 degrees if the Co-N7 vector were to bisect the C5-N7-C8 bond angle. Model building of Co(II) binding to guanine N7 in B-DNA indicates that the coordinated waters in the axial positions would have a van der Waals clash with the neighboring base on the 5' side. In contrast, the major groove of A-DNA does not have enough room to accommodate the entire hydration shell. This suggests that Co(II) binding to either B-DNA or A-DNA may induce significant conformational changes. The Z-DNA structure of Cu(II)-soaked CGCGTG crystal revealed that the Cu(II) ion is bis-coordinated to N7 position of G10 and #G12 (# denotes a symmetry-related position) bases with a trigonal bipyramid geometry, suggesting a possible N7-Cu-N7 crosslinking mechanism. A similar bis-coordination to two guanines has also been seen in the interaction of Cu(II) in m5CGUAm5CG Z-DNA crystal and of Ba(II) with two other Z-DNA crystals. PMID:8371984

15. Intense source of slow positrons

Perez, P.; Rosowsky, A.

2004-10-01

We describe a novel design for an intense source of slow positrons based on pair production with a beam of electrons from a 10 MeV accelerator hitting a thin target at a low incidence angle. The positrons are collected with a set of coils adapted to the large production angle. The collection system is designed to inject the positrons into a Greaves-Surko trap (Phys. Rev. A 46 (1992) 5696). Such a source could be the basis for a series of experiments in fundamental and applied research and would also be a prototype source for industrial applications, which concern the field of defect characterization in the nanometer scale.

16. Cosmic Ray Positrons from Pulsars

NASA Technical Reports Server (NTRS)

Harding, Alice K.

2010-01-01

Pulsars are potential Galactic sources of positrons through pair cascades in their magnetospheres. There are, however, many uncertainties in establishing their contribution to the local primary positron flux. Among these are the local density of pulsars, the cascade pair multiplicities that determine the injection rate of positrons from the pulsar, the acceleration of the injected particles by the pulsar wind termination shock, their rate of escape from the pulsar wind nebula, and their propagation through the interstellar medium. I will discuss these issues in the context of what we are learning from the new Fermi pulsar detections and discoveries.

17. Cu(II), Co(II), Ni(II), Mn(II), and Fe(II) metal complexes containing N,N'-(3,4-diaminobenzophenon)-3,5-Bu t2-salicylaldimine ligand: Synthesis, structural characterization, thermal properties, electrochemistry, and spectroelectrochemistry

Tas, E.; Kilic, A.; Durgun, M.; Küpecik, L.; Yilmaz, I.; Arslan, S.

2010-02-01

The synthesis, structure, spectroscopic and electro-spectrochemical properties of steric hindered Schiff-base ligand [ N,N'-(3,4-benzophenon)-3,5-Bu t2-salicylaldimine (LH 2)] and its mononuclear Cu(II), Co(II), Ni(II), Mn(II) and Fe(II) complexes are described in this work. The new dissymmetric steric hindered Schiff-base ligand containing a donor set of NONO was prepared through reaction of 3,4-diaminobenzophenon with 3,5-Bu t2-salicylaldehyde. Certain metal complexes of this ligand were synthesized by treating an ethanolic solution of the ligand with an equimolar amount of metal salts. The ligand and its complexes were characterized by FT-IR, UV-vis, 1H NMR, elemental analysis, molar conductivity and thermal analysis methods in addition to magnetic susceptibility, electrochemistry and spectroelectrochemistry techniques. The tetradentate and mononuclear metal complexes were obtained by reacting N,N'-(3,4-benzophenon)-3,5-Bu t2-salicylaldimine (LH 2) with some metal acetate in a 1:1 mole ratio. The molar conductance data suggest metal complexes to be non-electrolytes.

18. High resolution radio and optical observations of the central starburst in the low-metallicity dwarf galaxy II Zw 40

SciTech Connect

Kepley, Amanda A.; Reines, Amy E.; Johnson, Kelsey E.; Walker, Lisa May E-mail: areines@nrao.edu E-mail: lisamay@virginia.edu

2014-02-01

The extent to which star formation varies in galaxies with low masses, low metallicities, and high star formation rate surface densities is not well constrained. To gain insight into star formation under these physical conditions, this paper estimates the ionizing photon fluxes, masses, and ages for young massive clusters in the central region of II Zw 40—the prototypical low-metallicity dwarf starburst galaxy—from radio continuum and optical observations. Discrete, cluster-sized sources only account for half the total radio continuum emission; the remainder is diffuse. The young (≲ 5 Myr) central burst has a star formation rate surface density that significantly exceeds that of the Milky Way. Three of the 13 sources have ionizing photon fluxes (and thus masses) greater than R136 in 30 Doradus. Although isolating the effects of galaxy mass and metallicity is difficult, the H II region luminosity function and the internal extinction in the center of II Zw 40 appear to be primarily driven by a merger-related starburst. The relatively flat H II region luminosity function may be the result of an increase in interstellar medium pressure during the merger and the internal extinction is similar to that generated by the clumpy and porous dust in other starburst galaxies.

19. Synthesis, characterization, biological activity and equilibrium studies of metal(II) ion complexes with tridentate hydrazone ligand derived from hydralazine

El-Sherif, Ahmed A.; Shoukry, Mohamed M.; Abd-Elgawad, Mohamed M. A.

2012-12-01

In the present study, a new hydrazone ligand (2-((2-phthalazin-1-yl)hydrazono)methyl)phenol) prepared by condensation of hydralazine (1-Hydralazinophthalazine) with salicylaldehyde (SAH). The synthesized SAH-hydrazone and its metal complexes have been characterized by elemental analyses, IR, 1H NMR, solid reflectance, magnetic moment, molar conductance, mass spectra, UV-vis and thermal analysis (TGA). The analytical data of the complexes show the formation of 1:1 [M:L] ratio, where M represents Ni(II), Co(II) and Cu(II) ions, while L represents the deprotonated hydrazone ligand. IR spectra show that SAH is coordinated to the metal ions in a tridentate manner through phthalazine-N, azomethine-N and phenolic-oxygen groups. The ligand and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria and fungi. Proton-ligand association constants of (SAH) and the stepwise stability constants of its metal complexes are determined potentiometrically in 0.1 M NaNO3 at different temperatures and the corresponding thermodynamic parameters were derived and discussed. The order of -ΔG° and -ΔH° were found to obey Mn2+ < Co2+ < Ni2+ < Cu2+, in accordance with the Irving-Williams order. The complexes were stabilized by enthalpy changes and the results suggest that the complexation is an enthalpy-driven process. The concentration distribution diagrams of the complexes are evaluated.

20. Radial velocities and metallicities from infrared Ca ii triplet spectroscopy of open clusters. II. Berkeley 23, King 1, NGC 559, NGC 6603, and NGC 7245

Carrera, R.; Casamiquela, L.; Ospina, N.; Balaguer-Núñez, L.; Jordi, C.; Monteagudo, L.

2015-06-01

Context. Open clusters are key to studying the formation and evolution of the Galactic disc. However, there is a deficiency of radial velocity and chemical abundance determinations for open clusters in the literature. Aims: We intend to increase the number of determinations of radial velocities and metallicities from spectroscopy for open clusters. Methods: We acquired medium-resolution spectra (R ~ 8000) in the infrared region Ca ii triplet lines (~8500 Å) for several stars in five open clusters with the long-slit IDS spectrograph on the 2.5 m Isaac Newton Telescope (Roque de los Muchachos Observatory, Spain). Radial velocities were obtained by cross-correlation fitting techniques. The relationships available in the literature between the strength of infrared Ca ii lines and metallicity were also used to derive the metallicity for each cluster. Results: We obtain ⟨Vr⟩ = 48.6 ± 3.4, -58.4 ± 6.8, 26.0 ± 4.3, and -65.3 ± 3.2 km s-1 for Berkeley 23, NGC 559, NGC 6603, and NGC 7245, respectively. We found [ Fe/H ] = -0.25 ± 0.14 and -0.15 ± 0.18 for NGC 559 and NGC 7245, respectively. Berkeley 23 has low metallicity, [ Fe/H ] = -0.42 ± 0.13, which is similar to other open clusters in the outskirts of the Galactic disc. In contrast, we derived high metallicity ([ Fe/H ] = +0.43 ± 0.15) for NGC 6603, which places this system among the most metal-rich known open clusters. To our knowledge, this is the first determination of radial velocities and metallicities from spectroscopy for these clusters, except NGC 6603, for which radial velocities had been previously determined. We have also analysed ten stars in the line of sight to King 1. Because of the large dispersion obtained in both radial velocity and metallicity, we cannot be sure that we have sampled true cluster members. Based on observations made with the 2.5 m Isaac Newton Telescope operated on the island of La Palma by the Isaac Newton Group in the Spanish Observatorio del Roque de los Muchachos of the

1. Isolation Of PS II Nanoparticles And Oxygen Evolution Studies In Synechococcus Spp. PCC 7942 Under Heavy Metal Stress

Ahmad, Iffat Zareen; Sundaram, Shanthy; Tripathi, Ashutosh; Soumya, K. K.

2009-06-01

The effect of heavy metals was seen on the oxygen evolution pattern of a unicellular, non-heterocystous cyanobacterial strain of Synechococcus spp. PCC 7942. It was grown in a BG-11 medium supplemented with heavy metals, namely, nickel, copper, cadmium and mercury. Final concentrations of the heavy metal solution used in the culture were 0.1, 0.4 and 1 μM. All the experiments were performed in the exponential phase of the culture. Oxygen-evolving photosystem II (PS II) particles were purified from Synechococcus spp. PCC 7942 by a single-step Ni2+-affinity column chromatography after solubilization of thylakoid membranes with sucrose monolaurate. Oxygen evolution was measured with Clark type oxygen electrode fitted with a circulating water jacket. The light on the surface of the vessel was 10 w/m2. The cultures were incubated in light for 15 minutes prior to the measurement of oxygen evolution. Oxygen evolution was measured in assay mixture containing phosphate buffer (pH-7.5, 0.1 M) in the presence of potassium ferricyanide as the electron acceptor. The preparation from the control showed a high oxygen-evolving activity of 2, 300-2, 500 pmol O2 (mg Chl)-1 h-1 while the activity was decreased in the cultures grown with heavy metals. The inhibition of oxygen evolution shown by the organism in the presence of different metals was in the order Hg>Ni>Cd>Cu. Such heavy metal resistant strains will find application in the construction of PS II- based biosensors for the monitoring of pollutants.

2. Positron annihilation spectroscopy with magnetically analyzed beams

NASA Technical Reports Server (NTRS)

Singh, J. J.; Holt, W. H.; Mock, W., Jr.

1982-01-01

Lifetime measurements with magnetically analyzed positron beams were made in condensed media with uniform and non-uniform properties. As expected, the lifetime values with magnetically analyzed positron beams in uniform targets are similar to those obtained with conventional positron sources. The lifetime values with magnetically analyzed beams in targets which have non-uniform properties vary with positron energy and are different from the conventional positron source derived lifetime values in these targets.

3. Self-assembly of alkynylplatinum(II) terpyridine amphiphiles into nanostructures via steric control and metal–metal interactions

PubMed Central

Leung, Sammual Yu-Lut; Wong, Keith Man-Chung; Yam, Vivian Wing-Wah

2016-01-01

A series of mono- and dinuclear alkynylplatinum(II) terpyridine complexes containing the hydrophilic oligo(para-phenylene ethynylene) with two 3,6,9-trioxadec-1-yloxy chains was designed and synthesized. The mononuclear alkynylplatinum(II) terpyridine complex was found to display a very strong tendency toward the formation of supramolecular structures. Interestingly, additional end-capping with another platinum(II) terpyridine moiety of various steric bulk at the terminal alkyne would lead to the formation of nanotubes or helical ribbons. These desirable nanostructures were found to be governed by the steric bulk on the platinum(II) terpyridine moieties, which modulates the directional metal−metal interactions and controls the formation of nanotubes or helical ribbons. Detailed analysis of temperature-dependent UV-visible absorption spectra of the nanostructured tubular aggregates also provided insights into the assembly mechanism and showed the role of metal−metal interactions in the cooperative supramolecular polymerization of the amphiphilic platinum(II) complexes. PMID:26933213

4. Fine tuning of copper(II)-chlorophyll interactions in organic media. Metalation versus oxidation of the macrocycle.

PubMed

Orzeł, Łukasz; Szmyd, Bartłomiej; Rutkowska-Żbik, Dorota; Fiedor, Leszek; van Eldik, Rudi; Stochel, Grażyna

2015-04-07

The nature of chlorophyll interactions with copper(II) ions varies considerably in organic solvents, depending on the dominant coordinative form. Besides formation of the metallo tetrapyrrolic complex, Cu(II) ions can cause oxidation of the pigment, reversible or irreversible, which can lead to the destruction of the macrocyclic structure. All these reaction types can be distinguished within a quite narrow range of reaction conditions. The ability to form new metallo derivatives in either metalation or transmetalation reactions is obviously limited by the concentration of the potential oxidant, but can be secured below this level via suitable composition of the reaction system. The decisive factor in the selection of a specific reaction pathway is the presence of a potential ligand that can affect the reactivity of Cu(II) for example by shifting its redox potential. Spectroscopic and electrochemical studies were performed in order to determine the predominant species of Cu(II) in methanol, nitromethane and acetonitrile in the presence of chloride and acetate ions, as well as to assign their appropriate oxidizing ability. This allowed us to estimate the boundary conditions for the electron transfer processes in chlorophyll-Cu(II) systems. Chlorophyll and its free base can undergo both types of electron transfer processes, however, they reveal different susceptibilities that make this class of ligands quite versatile markers in tuning the reactivity of metal ions in solutions.

5. Photophysical Studies of Ru(II)tris(2,2-bipyridine) Confined within a Zn(II)-Trimesic Acid Polyhedral Metal-Organic Framework

SciTech Connect

Larsen, Randy W; Wojtas, Lukasz

2012-10-25

The ability to confine photoactive catalysts within metal-organic framework (MOF) materials affords the opportunity to expand the functional diversity of these materials into solar based applications. Here, the confinement of Ru(II)tris(2,2'-bipyridine) (RuBpy) by a MOF material derived from Zn(II) ions and trimesic acid (hereafter, USF2) is examined. Although the encapsulated RuBpy could not be crystallographically resolved within the MOF framework, the photophysical properties of the complex are characteristic of confinement including extended triplet metal-to-ligand (3MLCT) lifetime (τethanol = 614 ns and {τUSF2 = 1.2 μs at 25 °C) and a slight hypsochromic shift in the steady-state emission spectrum relative to RuBpy in ethanol. The extended lifetime is attributed to a deactivation of a nonradiative 3dd that is antibonding with respect to the Ru(II)-bipyridine due to a confined molecular environment. These results represent one of the first examples of RuBpy encapsulation and photophysical characterization within a polyhedral MOF material.

6. Improvement of the trace metal composition of medium for nitrite-dependent anaerobic methane oxidation bacteria: Iron (II) and copper (II) make a difference.

PubMed

He, Zhanfei; Geng, Sha; Pan, Yawei; Cai, Chaoyang; Wang, Jiaqi; Wang, Liqiao; Liu, Shuai; Zheng, Ping; Xu, Xinhua; Hu, Baolan

2015-11-15

Nitrite-dependent anaerobic methane oxidation (n-damo) is a potential bioprocess for treating nitrogen-containing wastewater. This process uses methane, an inexpensive and nontoxic end-product of anaerobic digestion, as an external electron donor. However, the low turnover rate and slow growth rate of n-damo functional bacteria limit the practical application of this process. In the present study, the short- and long-term effects of variations in trace metal concentrations on n-damo bacteria were investigated, and the concentrations of trace metal elements of medium were improved. The results were subsequently verified by a group of long-term inoculations (90 days) and were applied in a sequencing batch reactor (SBR) (84 days). The results indicated that iron (Fe(II)) and copper (Cu(II)) (20 and 10 μmol L(-1), respectively) significantly stimulated the activity and the growth of n-damo bacteria, whereas other trace metal elements, including zinc (Zn), molybdenum (Mo), cobalt (Co), manganese (Mn), and nickel (Ni), had no significant effect on n-damo bacteria in the tested concentration ranges. Interestingly, fluorescence in situ hybridization (FISH) showed that a large number of dense, large aggregates (10-50 μm) of n-damo bacteria were formed by cell adhesion in the SBR reactor after using the improved medium, and to our knowledge this is the first discovery of large aggregates of n-damo bacteria.

7. Resolvability of positron decay channels

SciTech Connect

Fluss, M.J.; Howell, R.H.; Rosenberg, I.J.; Meyer, P.

1985-03-07

Many data analysis treatments of positron experiments attempt to resolve two or more positron decay or exist channels which may be open simultaneously. Examples of the need to employ such treatments of the experimental results can be found in the resolution of the constituents of a defect ensemble, or in the analysis of the complex spectra which arise from the interaction of slow positrons at or near the surfaces of solids. Experimental one- and two-dimensional angular correlation of annihilation radiation experiments in Al single crystals have shown that two defect species (mono- and divacancies) can be resolved under suitable conditions. Recent experiments at LLNL indicate that there are a variety of complex exit channels open to positrons interacting at surfaces, and ultimely these decay channels must also be suitably resolved from one another. 6 refs., 4 figs.

8. High Power Polarized Positron Source

Mikhailichenko, Alexander

2009-09-01

We discuss the basics of polarized positron production by low energy polarized electrons. Efficiency of conversion ˜0.1-1% might be interesting for the Continuous Electron Beam Accelerator Facility (CEBAF) and the International Linear Collider (ILC).

9. Structural characterization of a metal-based perfusion tracer: copper(II) pyruvaldehyde bis(N4-methylthiosemicarbazone).

PubMed

John, E; Fanwick, P E; McKenzie, A T; Stowell, J G; Green, M A

1989-01-01

Copper(II) pyruvaldehyde bis(N4-methylthiosemicarbazone), Cu(PTSM), has been obtained as a dark red crystalline solid from EtOH-DMSO solvent mixture and structurally characterized by x-ray crystallography. The molecule possesses the expected pseudo-square planar N2S2 metal coordination sphere; however, the copper center also interacts through its axial coordination site with the sulfur atom of an adjacent Cu(PTSM) molecule in the crystal lattice. The structure of this compound is compared with the structures of other metal complexes that have been proposed in the nuclear medicine literature as perfusion tracers.

10. Photon correlations in positron annihilation

SciTech Connect

Gauthier, Isabelle; Hawton, Margaret

2010-06-15

The two-photon positron annihilation density matrix is found to separate into a diagonal center-of-energy factor implying maximally entangled momenta, and a relative factor describing decay. For unknown positron injection time, the distribution of the difference in photon arrival times is a double exponential at the para-Ps decay rate, consistent with experiment [V. D. Irby, Meas. Sci. Technol. 15, 1799 (2004)].

11. Possibilities with pulsed polarized high density slow positrons

Mills, A. P., Jr.

2014-04-01

A particularly bright and intense polarized slow positron beam could be formed from isotopically enriched 79Kr produced at a reactor. After moderation with solid Ne, accumulation, compression, and bunching, this type of positron beam would enable a number of experiments including: (1) Long term storage of a neutral polarized electron-positron plasma in a cold box; (2) Pulsed e+ ACAR with a pulsed magnet to measure Fermi surfaces of paramagnetic metals; (3) Single shot measurements of positron annihilation in laser-imploding plasmas; (4) Study of a spin-polarized positronium gas at a density around that of ordinary air to produce a Ps Bose-Einstein condensate at room temperature; (5) High energy polarized positron channelling experiments to study polarized electron spatial wave functions in ferromagnets; and (6) Study of supersonic free expansion spin polarized BEC Ps jets formed from, for example, 1011 m=1 triplet Ps atoms created within an open ended 1 μm diameter cylindrical cavity 100 μm in length.

12. Modelling Positron Interactions with Matter

Garcia, G.; Petrovic, Z.; White, R.; Buckman, S.

2011-05-01

In this work we link fundamental measurements of positron interactions with biomolecules, with the development of computer codes for positron transport and track structure calculations. We model positron transport in a medium from a knowledge of the fundamental scattering cross section for the atoms and molecules comprising the medium, combined with a transport analysis based on statistical mechanics and Monte-Carlo techniques. The accurate knowledge of the scattering is most important at low energies, a few tens of electron volts or less. The ultimate goal of this work is to do this in soft condensed matter, with a view to ultimately developing a dosimetry model for Positron Emission Tomography (PET). The high-energy positrons first emitted by a radionuclide in PET may well be described by standard formulas for energy loss of charged particles in matter, but it is incorrect to extrapolate these formulas to low energies. Likewise, using electron cross-sections to model positron transport at these low energies has been shown to be in serious error due to the effects of positronium formation. Work was supported by the Australian Research Council, the Serbian Government, and the Ministerio de Ciencia e Innovación, Spain.

13. Biological low pH Mn(II) oxidation in a manganese deposit influenced by metal-rich groundwater

USGS Publications Warehouse

Bohu, Tsing; Akob, Denise M.; Abratis, Michael; Lazar, Cassandre S.; Küsel, Kirsten

2016-01-01

The mechanisms, key organisms, and geochemical significance of biological low-pH Mn(II) oxidation are largely unexplored. Here, we investigated the structure of indigenous Mn(II)-oxidizing microbial communities in a secondary subsurface Mn oxide deposit influenced by acidic (pH 4.8) metal-rich groundwater in a former uranium mining area. Microbial diversity was highest in the Mn deposit compared to the adjacent soil layers and included the majority of known Mn(II)-oxidizing bacteria (MOB) and two genera of known Mn(II)-oxidizing fungi (MOF). Electron X-ray microanalysis showed that romanechite [(Ba,H2O)2(Mn4+,Mn3+)5O10] was conspicuously enriched in the deposit. Canonical correspondence analysis revealed that certain fungal, bacterial, and archaeal groups were firmly associated with the autochthonous Mn oxides. Eight MOB within the Proteobacteria, Actinobacteria, and Bacteroidetes and one MOF strain belonging to Ascomycota were isolated at pH 5.5 or 7.2 from the acidic Mn deposit. Soil-groundwater microcosms demonstrated 2.5-fold-faster Mn(II) depletion in the Mn deposit than adjacent soil layers. No depletion was observed in the abiotic controls, suggesting that biological contribution is the main driver for Mn(II) oxidation at low pH. The composition and species specificity of the native low-pH Mn(II) oxidizers were highly adapted to in situ conditions, and these organisms may play a central role in the fundamental biogeochemical processes (e.g., metal natural attenuation) occurring in the acidic, oligotrophic, and metalliferous subsoil ecosystems.

14. Synthesis, Spectroscopic Characterization, and Biological Evaluation Studies of 5-Bromo-3-(((hydroxy-2-methylquinolin-7-yl)methylene)hydrazono)indolin-2-one and Its Metal (II) Complexes

PubMed Central

Siddappa, Kuruba; Mayana, Nabiya Sultana

2014-01-01

The Schiff base ligand 5-bromo-3-(((8-hydroxy-2-methylquinolin-7-yl)methylene)hydrazono)indolin-2-one (BHMQMHI) was prepared via condensation of 5-bromo-3-hydrazonoindolin-2-one and 7-formyl-8-hydroxy-2-methylquinoline and its Co(II), Ni(II), Cu(II), Zn(II), Cd(II), and Hg(II) complexes have been synthesized and characterized by elemental analysis, conductance data, magnetic susceptibility measurements, IR, UV-Vis, mass spectrometry, 1H NMR, ESR, XRD, and thermal studies. By these spectral studies it is found that Co(II), Ni(II), and Cu(II) complexes have exhibited octahedral geometry whereas the Zn(II), Cd(II), and Hg(II) complexes have exhibited tetrahedral geometry. Potentiometric studies have been carried out on complexes of Schiff base (BHMQMHI) with Cu(II), Co(II), and Ni(II). Calvin-Bjerrum pH-titration technique as used by Irving and Rossotti has been applied to determine stability constants in mixed solvents at 25 ± 1°C. The present study reports the protonation constants of this ligand and stability constants of its metal complexes in dioxane-water (50%, v/v) mixtures. Metal-ligand stability constants fall in the order of Cu(II) > Co(II) > Ni(II) which is in agreement with those reported by Irving stability order. The Schiff base (BHMQMHI) and its metal complexes have been screened for their in vitro antibacterial and antifungal activities by minimum inhibitory concentration (MIC) method. The DNA cleavage activities of all the complexes were studied by agarose gel electrophoresis method. In addition, the free ligand along with its complexes has been studied for their antioxidant activity. PMID:25371658

15. Some new nano-sized Fe(II), Cd(II) and Zn(II) Schiff base complexes as precursor for metal oxides: Sonochemical synthesis, characterization, DNA interaction, in vitro antimicrobial and anticancer activities.

PubMed

Abdel-Rahman, Laila H; Abu-Dief, Ahmed M; El-Khatib, Rafat M; Abdel-Fatah, Shimaa Mahdy

2016-12-01

The complexes of Fe(II), Cd(II) and Zn(II) with Schiff base derived from 2-amino-3-hydroxypyridine and 3-methoxysalicylaldehyde have been prepared. Melting points, decomposition temperatures, Elemental analyses, TGA, conductance measurements, infrared (IR) and UV-Visible spectrophotometric studies were utilized in characterizing the compounds. The UV-Visible spectrophotometric analysis revealed 1:1 (metal-ligand) stoichiometry for the three complexes. In addition to, the prepared complexes have been used as precursors for preparing their corresponding metal oxides nanoparticles via thermal decomposition. The structures of the nano-sized complexes and their metal oxides were characterized by X-ray powder diffraction and transmittance electron microscopy. Moreover, the prepared Schiff base ligand, its complexes and their corresponding nano-sized metal oxides have been screened in vitro for their antibacterial activity against three bacteria, gram-positive (Microccus luteus) and gram-negative (Escherichia coli, Serratia marcescence) and three strains of fungus. The metal chelates were shown to possess more antimicrobial activity than the free Schiff-base chelate and their nano-sized metal oxides have the highest activity. The binding behaviors of the complexes to calf thymus DNA have been investigated by absorption spectra, viscosity mensuration and gel electrophoresis. The DNA binding constants reveal that all these complexes interact with DNA through intercalative binding mode. Furthermore, the cytotoxic activity of the prepared Schiff base complexes on human colon carcinoma cells, (HCT-116 cell line) and hepatic cellular carcinoma cells, (HepG-2) showed potent cytotoxicity effect against growth of carcinoma cells compared to the clinically used Vinblastine standard.

16. Synthesis, spectroscopic, thermal and anticancer studies of metal-antibiotic chelations: Ca(II), Fe(III), Pd(II) and Au(III) chloramphenicol complexes

Al-Khodir, Fatima A. I.; Refat, Moamen S.

2016-09-01

Four Ca(II), Fe(III), Pd(II) and Au(III) complexes of chloramphenicol drug have been synthesized and well characterized using elemental analyses, (infrared, electronic, and 1H-NMR) spectra, magnetic susceptibility measurement, and thermal analyses. Infrared spectral data show that the chloramphenicol drug coordinated to Ca(II), Pd(II) and Au(III) metal ions through two hydroxyl groups with 1:1 or 1:2 M ratios, but Fe(III) ions chelated towards chloramphenicol drug via the oxygen and nitrogen atoms of amide group with 1:2 ratio based on presence of keto↔enol form. The X-ray powder diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscopy (TEM) techniques were used to identify the nano-size particles of both iron(III) and gold(III) chloramphenicol complexes. The antimicrobial assessments of the chloramphenicol complexes were scanned and collected the results against of some kind of bacteria and fungi. The cytotoxic activity of the gold(III) complex was tested against the human colon carcinoma (HCT-116) and human hepatocellular carcinoma (HepG-2) tumor cell lines.

17. A modified positron lifetime spectrometer as method of non-destructive testing in materials

Chen, Z. Q.; Shi, J. J.; Jiang, J.; Liu, X. B.; Wang, R. S.; Wu, Y. C.

2015-02-01

This paper aims to develop a new non-destructive testing (NDT) method using positron annihilation spectroscopy, a powerful tool to detect vacancy-type defects and defect's chemical environment. A positron NDT system was designed and constructed by modifying the "sandwich" structure of sample-source-sample in the conventional positron lifetime spectrometer. The positron lifetime spectra of one single sample can be measured and analyzed by subtracting the contribution of a reference sample. The feasibility and reliability of the positron NDT system have been tested by analyzing nondestructively deformation damage caused by mechanical treatment in metals and steels. This system can be used for detecting defects and damage in thick or large-size samples without cutting off the sample materials, as well as for detecting two-dimensional distribution of defects.

18. Mixed-metal supramolecular complexes coupling phosphine-containing Ru(II) light absorbers to a reactive Pt(II) through polyazine bridging ligands.

PubMed

Swavey, Shawn; Fang, Zhenglai; Brewer, Karen J

2002-05-06

Supramolecular bimetallic Ru(II)/Pt(II) complexes [(tpy)Ru(PEt(2)Ph)(BL)PtCl(2)](2+) and their synthons [(tpy)Ru(L)(BL)](n)()(+) (where L = Cl(-), CH(3)CN, or PEt(2)Ph; tpy = 2,2':6',2''-terpyridine; and BL = 2,2'-bipyrimidine (bpm) or 2,3-bis(2-pyridyl)pyrazine (dpp)) have been synthesized and studied by cyclic voltammetry, electronic absorption spectroscopy, mass spectral analysis, and (31)P NMR. The mixed-metal bimetallic complexes couple phosphine-containing Ru chromophores to a reactive Pt site. These complexes show how substitution of the monodentate ligand on the [(tpy)RuCl(BL)](+) synthons can tune the properties of these light absorbers (LA) and incorporate a (31)P NMR tag by addition of the PEt(2)Ph ligand. The redox potentials for the Ru(III/II) couples occur at values greater than 1.00 V versus the Ag/AgCl reference electrode and can be tuned to more positive potentials on going from Cl(-) to CH(3)CN or PEt(2)Ph (E(1/2) = 1.01, 1.55, and 1.56 V, respectively, for BL = bpm). The BL(0/-) couple at -1.03 (bpm) and -1.05 V (dpp) for [(tpy)Ru(PEt(2)Ph)(BL)](2+) shifts dramatically to more positive potentials upon the addition of the PtCl(2) moiety to -0.34 (bpm) and -0.50 V (dpp) for the [(tpy)Ru(PEt(2)Ph)(BL)PtCl(2)](2+) bridged complex. The lowest energy electronic absorption for these complexes is assigned as the Ru(d pi) --> BL(pi*) metal-to-ligand charge transfer (MLCT) transition. These MLCT transitions are tuned to higher energy in the monometallic synthons when Cl(-) is replaced by CH(3)CN or PEt(2)Ph (516, 452, and 450 nm, for BL = bpm, respectively) and to lower energy when Pt(II)Cl(2) is coordinated to the bridging ligand (560 and 506 nm for BL = bpm or dpp). This MLCT state displays a broad emission at room temperature for all the dpp systems with the [(tpy)Ru(PEt(2)Ph)(dpp)PtCl(2)](2+) system exhibiting an emission centered at 750 nm with a lifetime of 56 ns. These supramolecular complexes [(tpy)Ru(PEt(2)Ph)(BL)PtCl(2)](2+) represent the

19. Zinc(II) Thiosemicarbazone Complex As a Ligand Towards Some Transition Metal Ions: Synthesis, Spectroscopic and Antimicrobial Studies.

PubMed

Khalil, Saied M E; Shebl, Magdy; Al-Gohani, Faizah S

2010-09-01

Heterobinuclear complexes have been synthesized by stepwise reactions using the mononuclear complex, [Zn(Tsc)2] • H2O, as a complex ligand towards the metal ions, vanadyl(IV), manganese(II), iron(III), cobalt(II), nickel(II) and copper(II). The complex ligand was synthesized by the reaction of zinc acetate dihydrate with salicylaldehyde followed by the condensation with thiosemicarbazide. The structures of the complex ligand and the prepared complexes were elucidated by elemental analyses, IR, electronic, mass, 1H and 13C NMR spectra as well as molar conductivity and magnetic susceptibility measurements. All the complexes exhibited octahedral geometrical arrangements formulated as [Zn(Tsc)2VO(SO4)(H2O)], [Zn(Tsc)2MCl2(H2O)2] (M = Mn, Fe and Co) and [Zn(Tsc)2Fe(ox)Cl2] except the nickel(II) and copper(II) complexes, [Zn(Tsc)2CuCl(H2O)], [Zn(Tsc)2NiCl2], which have square planar geometries. The complex ligand and some of its heterobinuclear complexes showed antibacterial activity against the sensitive organisms Staphylococcus aureus as Gram-positive bacteria, Escherichia coli as Gram-negative bacteria and antifungal activity against the fungi Candida albicans and Aspergillus flavus.

20. Electrochemiluminescent immunosensing of prostate-specific antigen based on silver nanoparticles-doped Pb (II) metal-organic framework.

PubMed

Ma, Hongmin; Li, Xiaojian; Yan, Tao; Li, Yan; Zhang, Yong; Wu, Dan; Wei, Qin; Du, Bin

2016-05-15

In this work, silver nanoparticles-doped Pb (II) metal-organic framework (Ag-MOF) was prepared and exploited as a luminescence probe for the development of label-free electrochemiluminescence (ECL) immunosensing scheme for prostate-specific antigen (PSA). The β-cyclodextrin based MOF, Pb-β-cyclodextrin (Pb(II)-β-CD) shows excellent ECL behavior and unexpected reducing capacity towards silver ions. Silver nanoparticles could massively form on the surface of Pb(II)-β-CD (Ag@Pb(II)-β-CD) without use any additional reducing agent, while the ECL behavior of Pb(II)-β-CD still was well retained. The Ag@Pb(II)-β-CD was used as a substrate material to modify glass carbon electrodes and formed a sensing platform for the fabricating ECL immunosensor. The presence of silver nanoparticles enables the facile immobilization of capturing antibody of PSA. The specific binding of PSA onto the electrode surface induces the decrease of ECL signals. A linear range of 0.001-50 ng mL(-1) with a detection limit of 0.34 pg mL(-1) (S/N=3) was obtained after the optimization of experimental conditions. This simply fabricated immunosensor exhibits good stability, accuracy and acceptable reproducibility, which suggesting its potential applications in clinical diagnostics.

1. Method for photon activation positron annihilation analysis

DOEpatents

Akers, Douglas W.

2006-06-06

A non-destructive testing method comprises providing a specimen having at least one positron emitter therein; determining a threshold energy for activating the positron emitter; and determining whether a half-life of the positron emitter is less than a selected half-life. If the half-life of the positron emitter is greater than or equal to the selected half-life, then activating the positron emitter by bombarding the specimen with photons having energies greater than the threshold energy and detecting gamma rays produced by annihilation of positrons in the specimen. If the half-life of the positron emitter is less then the selected half-life, then alternately activating the positron emitter by bombarding the specimen with photons having energies greater then the threshold energy and detecting gamma rays produced by positron annihilation within the specimen.

2. Distributions, equivalent widths and metallicities of the H II regions in the spiral galaxies NGC 5457 and NGC 4395

Cedrés, B.; Cepa, J.

2002-09-01

Using CCD observations in the narrow band filters in Hα , Hβ , [O Ii], [O Iii], [S Ii] and [S Iii] lines we have compiled a catalogue of 338 H Ii regions for the inner parts of NGC 5457 and 158 for NGC 4395. The extinction, equivalent widths, distributions, excitations, ionization hardness, ionization parameters and metallicities for these regions, a distinction being made between arm and inter-arm zones, are presented here with the first results of a study of stellar formation. Tables 3 to 8 are only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/391/809

3. A novel curcumin assay with the metal ion Cu (II) as a simple probe by resonance light scattering technique

Chen, Zhanguang; Zhu, Li; Song, Tianhe; Chen, Junhui; Guo, Zhiming

2009-04-01

A fantastic resonance light scattering (RLS) enhancement phenomenon was found when the interaction between the metal ion Cu (II) and a natural antioxidant curcumin (C 21H 20O 6) occurred in certain conditions. Based on this phenomenon, a novel and convenient assay of curcumin was developed and successfully applied on the determination of curcumin in human urine samples. This assay applied the RLS technique with a common metal ion Cu (II) as the spectral probe. In the pH range of 6.5-7.5, the interaction between Cu (II) and curcumin occurred and the weak RLS intensity of Cu (II) was greatly enhanced by curcumin. The maximum peak was located at 538.5 nm. Under the optimum conditions, the enhanced RLS intensity was proportional to the concentration of curcumin ranging from 0.4 to 60 μg ml -1 with the detection limit of 0.07 μg ml -1. The synthetic and human urine samples were determined satisfactorily. Good recoveries (98.8-102.5%) were obtained in the determination of urine samples, which proved that the assay proposed was reliable and applicable in the determination of curcumin in body fluid. In this work, the RLS and fluorescence spectral characteristics of the chemicals, the optimum conditions of the reaction and the influencing factors were investigated.

4. Synthesis, spectral characterization and DNA bindings of tridentate N2O donor Schiff base metal(II) complexes.

PubMed

Kathiresan, Sellamuthu; Anand, Thangavel; Mugesh, Subramanian; Annaraj, Jamespandi

2015-07-01

To evaluate the biological preference of synthetic small drugs towards DNA target, new metal based chemotherapeutic agents of Cu(II), Co(II), Ni(II) and Zn(II), 2,4-diiodo-6-((pyridin-2-ylmethylimino)methyl)phenol (L) Schiff base complexes (1, 2, 3 &4) having N,N,O donor system respectively were synthesized and thoroughly characterized. The IR results confirmed the tridentate binding of the ligand with metal centre during complexation and reflects the proposed structure. The density function theory calculations were also used to further investigate the electronic structure and properties of ligand and complexes. The preliminary investigation of herring Sperm (HS-DNA) interaction propensity of complexes 1-4 were carried out in Tris-HCl buffer at pH 7.1 to demonstrate their mode of interactions. The obtained results reveal that these complexes significantly interact with DNA on the grooves, further, this observed mode of interactions was also confirmed by molecular docking evaluations. The complexes 1-4 were also screened for antimicrobial evaluations which demonstrated that their significant activity against various human pathogens. The cleavage studies with pBR322 plasmid DNA revealed higher nuclease activity of 1 as compared to other complexes.

5. Investigation of Explosively Driven Fragmentation of Metals - Two Dimensional Fracture and Fragmentation of Metal Shells: Progress Report II

SciTech Connect

2003-02-01

High explosive enclosed by a metal case qualitatively describes an essential component of high energy systems of importance to the Department of Energy. Detonation of the high explosive causes intense transient pressure loading of the metal following arrival of normal or obliquely incident explosive detonation wave. Subsequent expansion and deformation of the metal case leads to eventual rupture and the opening of fractures and fissures. Details of the rupture process are critical to performance of the system. Consequently, it is essential that the material and kinematic issues governing the processes of dynamic loading and subsequent failure of an explosive-metal case component within a functioning system be adequately understood. Among the reasons are to quantify existing performance, characterize potential degradation of performance resulting from system aging, and optimizing or maintaining system performance through implementation of structural or material changes. The physical and engineering issues underlying this dynamic response and failure phenomena are not adequately understood. The purpose of the present program is to identify the key issues and develop theoretical, computational and experimental models needed to achieve a satisfactory theoretical and analysis framework for analysis of metal case failure in the explosive environment. Specific tasks within the present program include: (1) Models and theories currently being pursued based on physical principles of both the statistical fragmentation concepts of Mott and the energy-based concept of others show promise of providing the analytic and computational methodology capable of predicting explosion-induced fracture and fragmentation of metal components. Experimental studies initiated in the earlier effort offer promise to provide critical test data for validation. The present task shall involve the further refinement and development of the dynamic failure and fragmentation models and theories, and the

6. Positron accumulation effect in particles embedded in a low-density matrix

SciTech Connect

Dryzek, Jerzy; Siemek, Krzysztof

2015-02-07

Systematic studies of the so-called positron accumulation effect for samples with particles embedded in a matrix are reported. This effect is related to energetic positrons which penetrate inhomogeneous medium. Due to differences in the linear absorption coefficient, different amounts of positrons are accumulated and annihilate in the identical volume of both materials. Positron lifetime spectroscopy and Doppler broadening of the annihilation line using Na-22 positrons were applied to the studies of the epoxy resin samples with embedded micro-sized particles of transition metals, i.e., Ni, Sn, Mo, W, and nonmetal particles, i.e., Si and NaF. The significant difference between the determined fraction of positrons annihilating in the particles and the particle volume fraction indicates the positron accumulation effect. The simple phenomenological model and Monte Carlo simulations are able to describe the main features of the obtained dependencies. The aluminum alloy with embedded Sn nanoparticles is also considered for demonstration differences between the accumulation and another related effect, i.e., the positron affinity.

7. Positron accumulation effect in particles embedded in a low-density matrix

Dryzek, Jerzy; Siemek, Krzysztof

2015-02-01

Systematic studies of the so-called positron accumulation effect for samples with particles embedded in a matrix are reported. This effect is related to energetic positrons which penetrate inhomogeneous medium. Due to differences in the linear absorption coefficient, different amounts of positrons are accumulated and annihilate in the identical volume of both materials. Positron lifetime spectroscopy and Doppler broadening of the annihilation line using Na-22 positrons were applied to the studies of the epoxy resin samples with embedded micro-sized particles of transition metals, i.e., Ni, Sn, Mo, W, and nonmetal particles, i.e., Si and NaF. The significant difference between the determined fraction of positrons annihilating in the particles and the particle volume fraction indicates the positron accumulation effect. The simple phenomenological model and Monte Carlo simulations are able to describe the main features of the obtained dependencies. The aluminum alloy with embedded Sn nanoparticles is also considered for demonstration differences between the accumulation and another related effect, i.e., the positron affinity.

8. Interaction of glutathione reductase with heavy metal: the binding of Hg(II) or Cd(II) to the reduced enzyme affects both the redox dithiol pair and the flavin.

PubMed

Picaud, Thierry; Desbois, Alain

2006-12-26

To determine the inhibition mechanism of yeast glutathione reductase (GR) by heavy metal, we have compared the electronic absorption and resonance Raman (RR) spectra of the enzyme in its oxidized (Eox) and two-electron reduced (EH2) forms, in the absence and the presence of Hg(II) or Cd(II). The spectral data clearly show a redox dependence of the metal binding. The metal ions do not affect the absorption and RR spectra of Eox. On the contrary, the EH2 spectra, generated by addition of NADPH, are strongly modified by the presence of heavy metal. The absorption changes of EH2 are metal-dependent. On the one hand, the main flavin band observed at 450 nm for EH2 is red-shifted at 455 nm for the EH2-Hg(II) complex and at 451 nm for the EH2-Cd(II) complex. On the other hand, the characteristic charge-transfer (CT) band at 540 nm is quenched upon metal binding to EH2. In NADPH excess, a new CT band is observed at 610 nm for the EH2-Hg(II)-NADPH complex and at 590 nm for EH2-Cd(II)-NADPH. The RR spectra of the EH2-metal complexes are not sensitive to the NADPH concentration. With reference to the RR spectra of EH2 in which the frequencies of bands II and III were observed at 1582 and 1547 cm-1, respectively, those of the EH2-metal complexes are detected at 1577 and 1542 cm-1, indicating an increased flavin bending upon metal coordination to EH2. From the frequency shifts of band III, a concomitant weakening of the H-bonding state of the N5 atom is also deduced. Taking into account the different chemical properties of Hg(II) and Cd(II), the coordination number of the bound metal ion was deduced to be different in GR. A mechanism of the GR inhibition is proposed. It proceeds primarily by a specific binding of the metal to the redox thiol/thiolate pair and the catalytic histidine of EH2. The bound metal ion then acts on the bending of the isoalloxazine ring of FAD as well as on the hydrophobicity of its microenvironment.

9. First positron annihilation lifetime measurement of Pu

SciTech Connect

Colmenares, C.; Howell, R.H.; Ancheta, D.; Cowan, T.; Hanafee, J.; Sterne, P.

1996-11-21

We have made the first measurement of defects in an aged sample of {delta} phase, Ga stabilized Pu, using positron annihilation lifetime spectroscopy. This measurement validates the procedure necessary to perform measurements on this highly toxic material and obtain data representative of sample conditions. Comparison of the positron annihilation lifetime analysis of the data with calculated values suggests that He filled vacancies or vacancy clusters dominate the defect population. Such defects are the necessary precursor to void growth and swelling. The evolution of defects resulting from the radioactive decay of Pu during its life in the stockpile is one of the unknown quantities affecting our confidence in predictions of the limit on stockpile components. Radiation damage leads to changes in the size and strength of metals studied for reactor and accelerator use and similar effects may be expected in Pu. The evolution of radiation produced vacancies into larger void structures and accompanying macroscopic swelling may occur in Pu at some age. A detailed understanding of the defects in self irradiated Pu is required to predict the time scale of void swelling and related radiation effects. 1 fig.

10. Analysis of positron lifetime spectra in polymers

NASA Technical Reports Server (NTRS)

Singh, Jag J.; Mall, Gerald H.; Sprinkle, Danny R.

1988-01-01

A new procedure for analyzing multicomponent positron lifetime spectra in polymers was developed. It requires initial estimates of the lifetimes and the intensities of various components, which are readily obtainable by a standard spectrum stripping process. These initial estimates, after convolution with the timing system resolution function, are then used as the inputs for a nonlinear least squares analysis to compute the estimates that conform to a global error minimization criterion. The convolution integral uses the full experimental resolution function, in contrast to the previous studies where analytical approximations of it were utilized. These concepts were incorporated into a generalized Computer Program for Analyzing Positron Lifetime Spectra (PAPLS) in polymers. Its validity was tested using several artificially generated data sets. These data sets were also analyzed using the widely used POSITRONFIT program. In almost all cases, the PAPLS program gives closer fit to the input values. The new procedure was applied to the analysis of several lifetime spectra measured in metal ion containing Epon-828 samples. The results are described.

11. Complexation abilities of neuropeptide gamma toward copper(II) ions and products of metal-catalyzed oxidation.

PubMed

Pietruszka, Marta; Jankowska, Elżbieta; Kowalik-Jankowska, Teresa; Szewczuk, Zbigniew; Smużyńska, Maria

2011-08-15

The stability constants, stoichiometry, and solution structures of copper(II) complexes of neuropeptide gamma (NPG) (D(1)-A-G-H(4)-G-Q-I-S-H(9)-K-R-H(12)-K-T-D-S-F-V-G-L-M(21)-NH(2)) and acethyl-neuropeptide gamma (Ac-D(1)-A-G-H(4)-G-Q-I-S-H(9)-K-R-H(12)-K-T-D-S-F-V-G-L-M(21)-NH(2)) were determined in aqueous solution. For both peptides the additional deprotonations were observed; therefore, the potentiometric data calculations for NPG were only made in 2.5-7.4 pH range. For Ac-NPG one additional deprotonation was observed, likely hydroxy group of Ser residue, and the potentiometric data calculations in the 2.5-10.5 pH range may be performed. The potentiometric and spectroscopic data (UV-vis, CD, EPR) for the neuropeptide gamma show that a D(1) residue stabilizes significantly the copper(II) complexes with 1N {NH(2),β-COO(-)}, 2N {NH(2),β-COO(-),N(Im)}, and 3N {NH(2),β-COO(-),2N(Im)} coordination modes as the result of coordination through the β-carboxylate group. The Ac-NPG forms with the copper(II) ions the 3N {3N(Im)} complex in a wide 4.5-7.5 pH range. At higher pH deprotonation and coordination of the sequential amide nitrogens occur. Metal-catalyzed oxidation of proteins is mainly a site-specific process in which amino acids at metal-binding sites to the protein are preferentially oxidized. To elucidate the products of the copper(II)-catalyzed oxidation of NPG and Ac-NPG the liquid chromatography-mass spectrometry method (LC-MS) and the Cu(II)/H(2)O(2) as a model oxidizing system were employed. For solutions containing a 1:4 peptide-hydrogen peroxide molar ratio oxidation of the methionine residue to methionine sulphone was observed. For the 1:1:4 Cu(II)-NPG-H(2)O(2) system oxidation of two His residues and cleavage of the G(3)-H(4) and R(11)-H(12) peptide bonds were detected, supporting involvement of His(4) and His(12) in binding of the copper(II) ions. Oxidations of three histidine residues to 2-oxohistidines and fragmentations of Ac-NPG near the His

12. Metal transports and enrichments in iron depositions hosted in basaltic rocks. II: Metal rich fluids and Fe origin

Zhang, Ronghua; Zhang, Xuetong; Hu, Shumin

2015-12-01

This study focuses on revealing the mechanism of metal transport, enrichment and Fe origin of iron deposition during water basalt interactions occurred in basaltic rocks. Observations of the iron deposits (anhydrite-magnetite-pyroxene type deposits) hosted in K-rich basaltic rocks in the Mesozoic volcanic area of the Middle-Lower Yangtze River valley, China, indicate that the mechanism of metal transport and enrichment for those deposits are significant objective to scientists, and the Fe origin problem is not well resolved. Here the metal transport, enrichment and iron origin have been investigated in high temperature experiments of water basaltic interactions. These deposits were accompanying a wide zone with metal alteration. The effects of hydrothermal alteration on major rock-forming element concentrations in basaltic rock were investigated by systematically comparing the chemical compositions of altered rocks with those of fresh rocks. In the deposits, these metals are distributed throughout altered rocks that exhibit vertical zoning from the deeper to the shallow. Then, combined with the investigations of the metal-alterations, we performed kinetic experiments of water-basaltic rock interactions using flow-through reactors in open systems at temperatures from 20 °C to 550 °C, 23-34 MPa. Release rates for the rock-forming elements from the rocks have been measured. Experiments provide the release rates for various elements at a large temperature range, and indicate that the dissolution rates (release rates) for various elements vary with temperature. Si, Al, and K have high release rates at temperatures from 300 °C to 500 °C; the maximum release rates (RMX) for Si are reached at temperatures from 300 °C to 400 °C. The RMXs for Ca, Mg, and Fe are at low temperatures from 20 °C to 300 °C. Results demonstrate that Fe is not released from 400 °C to 550 °C, and indicate that when deep circling fluids passed through basaltic rocks, Fe was not mobile, and

13. Performance of the (n,{gamma})-Based Positron Beam Facility NEPOMUC

SciTech Connect

Schreckenbach, K.; Hugenschmidt, C.; Piochacz, C.; Stadlbauer, M.; Loewe, B.; Maier, J.; Pikart, P.

2009-01-28

The in-pile positron source of NEPOMUC at the neutron source Heinz Maier-Leibnitz (FRM II) provides at the experimental site an intense beam of monoenergetic positrons with selectable energy between 15 eV and 3 keV. The principle of the source is based on neutron capture gamma rays produced by cadmium in a beam tube tip close to the reactor core. The gamma ray absorption in platinum produces positrons which are moderated and formed to the beam. An unprecedented beam intensity of 9.10{sup 8} e{sup +}/s is achieved (1 keV). The performance and applications of the facility are presented.

14. Solving the charging effect in insulating materials probed by a variable monoenergy slow positron beam.

PubMed

Hung, Wei-Song; De Guzman, Manuel; An, Quanfu; Lee, Kueir-Rarn; Jean, Yan-Ching; Lai, Juin-Yih

2011-03-15

A variable monoenergy slow positron beam (VMSPB) operating at a high vacuum on insulating materials encounters a problem of significant surface charging effect with time. As a result, positronium formation is inhibited, and the positron annihilation radiation counting rate is reduced; these consequently distorted the experimental positron annihilation and results. To solve such problems, a technique of depositing an ultrathin layer of sputtering noble metals on insulators is developed. We report a successful method of sputtering a few atomic layers of platinum (∼1 nm) on a polyamide membrane to completely remove the charging effect for VMSPB applications in insulators.

15. Relativistic linearized coupled-cluster single-double calculations of positron-atom bound states

Dzuba, V. A.; Flambaum, V. V.; Gribakin, G. F.; Harabati, C.

2012-09-01

Relativistic linearized coupled-cluster single-double approximation with third-order corrections is used to calculate positron-atom bound states. The method is tested on closed-shell atoms such as Be, Mg, Ca, Zn, Cd, and Hg, where a number of accurate calculations are available. It is then used to calculate positron binding energies for a range of open-shell transition metal atoms from Sc to Cu, from Y to Pd, and from Lu to Pt. These systems possess Feshbach resonances, which can be used to search for positron-atom binding experimentally through resonant annihilation or scattering.

16. THE ABUNDANCE SCATTER IN M33 FROM H II REGIONS: IS THERE ANY EVIDENCE FOR AZIMUTHAL METALLICITY VARIATIONS?

SciTech Connect

Bresolin, Fabio

2011-04-01

Optical spectra of 25 H II regions in the inner 2 kpc of the M33 disk have been obtained with the Gemini Multi-Object Spectrograph at the Gemini North telescope. The oxygen abundance gradient measured from the detection of the [O III] {lambda}4363 auroral line displays a scatter of approximately 0.06 dex, a much smaller value than recently reported by Rosolowsky and Simon in this galaxy. The analysis of the abundances for a large sample of H II regions derived from the R{sub 23} strong-line indicator confirms that the scatter is small over the full disk of M33, consistent with the measuring uncertainties, and comparable to what is observed in other spiral galaxies. No evidence is therefore found for significant azimuthal variations in the present-day metallicity of the interstellar medium in this galaxy on spatial scales from {approx}100 pc to a few kpc. A considerable fraction of M33 H II regions with auroral line detections show spectral features revealing sources of hard ionizing radiation (such as He II emission and large [Ne III], [O III] line fluxes). Since R{sub 23} is shown to severely underestimate the oxygen abundances in such cases, care must be taken in chemical abundance studies of extragalactic H II regions based on this strong-line indicator.

17. The preparation of polyelectrolyte complexes carboxymethyl chitosan(CMC)-pectin by reflux method as a Pb (II) metal ion adsorbent

Hastuti, Budi; Mudasir, Siswanta, Dwi; Triyono

2016-02-01

Aim of this research is to synthesized a chemically stable polyelectrolyte complexs carboxymetyl chitosan CMC-pectin as Pb(II) ion adsorbent by reflux method. During synthesis process, the optimum mass ratio of CMC and pectin was pre-determined and the active groups of the CMC-pectin complex was characterized by using IR spectrofotometer. Finally, adsorption capacity of the adsorbent material for Pb (II) ions was studied under optimum condition, i.e. adsorbent mass, contact time, and pH. Result shows that CMC could be succesfully combined with pectin to produce CMC-pectin complex. The optimum mass ratio CMC: pectin to form the polyelectrolyte complexs CMC-pectin was 70% : 30%. The active groups identified in the CMC-pectin complex was a hydroxyl (OH) and carboxylate (-COOH) groups. The optimum conditions for Pb (II) ion absoprtion was 10 mg of the adsorbent mass, 75 min of contact time, and pH 5. This material can be effectively used as adsorbents for Pb (II) ions, where up to 91% Pb (II) metal ions was adsorbed from aqueous solution and the adsorption capacity of the adsorbent was 41.63 mg/g.

18. Positron emitter labeled enzyme inhibitors

DOEpatents

Fowler, Joanna S.; MacGregor, Robert R.; Wolf, Alfred P.; Langstrom, Bengt

1990-01-01

This invention involves a new strategy for imaging and mapping enzyme activity in the living human and animal body using positron emitter-labeled suicide enzyme inactivators or inhibitors which become covalently bound to the enzyme as a result of enzymatic catalysis. Two such suicide inactivators for monoamine oxidase have been labeled with carbon-11 and used to map the enzyme subtypes in the living human and animal body using PET. By using positron emission tomography to image the distribution of radioactivity produced by the body penetrating radiation emitted by carbon-11, a map of functionally active monoamine oxidase activity is obtained. Clorgyline and L-deprenyl are suicide enzyme inhibitors and irreversibly inhibit monoamine oxidase. When these inhibitors are labeled with carbon-11 they provide selective probes for monoamine oxidase localization and reactivity in vivo using positron emission tomography.

19. Positron emitter labeled enzyme inhibitors

SciTech Connect

Fowler, J.S.; MacGregor, R.R.; Wolf, A.P.; Langstrom, B.

1990-04-03

This invention involves a new strategy for imaging and mapping enzyme activity in the living human and animal body using positron emitter-labeled suicide enzyme inactivators or inhibitors which become covalently bound to the enzyme as a result of enzymatic catalysis. Two such suicide inactivators for monoamine oxidase have been labeled with carbon-11 and used to map the enzyme subtypes in the living human and animal body using PET. By using positron emission tomography to image the distribution of radioactivity produced by the body penetrating radiation emitted by carbon-11, a map of functionally active monoamine oxidase activity is obtained. Clorgyline and L-deprenyl are suicide enzyme inhibitors and irreversibly inhibit monoamine oxidase. When these inhibitors are labeled with carbon-11 they provide selective probes for monoamine oxidase localization and reactivity in vivo using positron emission tomography.

20. Positron emitter labeled enzyme inhibitors

DOEpatents

Fowler, J.S.; MacGregor, R.R.; Wolf, A.P.

1987-05-22

This invention involved a new strategy for imaging and mapping enzyme activity in the living human and animal body using positron emitter-labeled suicide enzyme inactivators or inhibitors which become covalently bound to the enzyme as a result of enzymatic catalysis. Two such suicide in activators for monoamine oxidase have been labeled with carbon-11 and used to map the enzyme subtypes in the living human and animal body using PET. By using positron emission tomography to image the distribution of radioactivity produced by the body penetrating radiation emitted by carbon-11, a map of functionally active monoamine oxidase activity is obtained. Clorgyline and L-deprenyl are suicide enzyme inhibitors and irreversibly inhibit monoamine oxidase. When these inhibitors are labeled with carbon-11 they provide selective probes for monoamine oxidase localization and reactivity in vivo using positron emission tomography. 2 figs.

1. Positron-alkali atom scattering

NASA Technical Reports Server (NTRS)

Mceachran, R. P.; Horbatsch, M.; Stauffer, A. D.; Ward, S. J.

1990-01-01

Positron-alkali atom scattering was recently investigated both theoretically and experimentally in the energy range from a few eV up to 100 eV. On the theoretical side calculations of the integrated elastic and excitation cross sections as well as total cross sections for Li, Na and K were based upon either the close-coupling method or the modified Glauber approximation. These theoretical results are in good agreement with experimental measurements of the total cross section for both Na and K. Resonance structures were also found in the L = 0, 1 and 2 partial waves for positron scattering from the alkalis. The structure of these resonances appears to be quite complex and, as expected, they occur in conjunction with the atomic excitation thresholds. Currently both theoretical and experimental work is in progress on positron-Rb scattering in the same energy range.

2. Binding of kinetically inert metal ions to RNA: the case of platinum(II).

PubMed

Chapman, Erich G; Hostetter, Alethia A; Osborn, Maire F; Miller, Amanda L; DeRose, Victoria J

2011-01-01

In this chapter several aspects of Pt(II) are highlighted that focus on the properties of Pt(II)-RNA adducts and the possibility that they influence RNA-based processes in cells. Cellular distribution of Pt(II) complexes results in significant platination of RNA, and localization studies find Pt(II) in the nucleus, nucleolus, and a distribution of other sites in cells. Treatment with Pt(II) compounds disrupts RNA-based processes including enzymatic processing, splicing, and translation, and this disruption may be indicative of structural changes to RNA or RNA-protein complexes. Several RNA-Pt(II) adducts have been characterized in vitro by biochemical and other methods. Evidence for Pt(II) binding in non-helical regions and for Pt(II) cross-linking of internal loops has been found. Although platinated sites have been identified, there currently exists very little in the way of detailed structural characterization of RNA-Pt(II) adducts. Some insight into the details of Pt(II) coordination to RNA, especially RNA helices, can be gained from DNA model systems. Many RNA structures, however, contain complex tertiary folds and common, purine-rich structural elements that present suitable Pt(II) nucleophiles in unique arrangements which may hold the potential for novel types of platinum-RNA adducts. Future research aimed at structural characterization of platinum-RNA adducts may provide further insights into platinum-nucleic acid binding motifs, and perhaps provide a rationale for the observed inhibition by Pt(II) complexes of splicing, translation, and enzymatic processing.

3. Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity

SciTech Connect

Du, Mao -Hua; Singh, David J.; Zhang, Lijun; Li, Yuwei; Xu, Qiaoling; Ma, Yanming; Zheng, Weitao

2016-04-19

Oxides with good p-type conductivity have been long sought after to achieve high performance all-oxide optoelectronic devices. Divalent Sn(II) based oxides are promising candidates because of their rather dispersive upper valence bands caused by the Sn-5s/O-2p anti-bonding hybridization. There are so far few known Sn(II) oxides being p-type conductive suitable for device applications. Here, we present via first-principles global optimization structure searches a material design study for a hitherto unexplored Sn(II)-based system, ternary alkaline-earth metal Sn(II) oxides in the stoichiometry of MSn2O3 (M = Mg, Ca, Sr, Ba). We identify two stable compounds of SrSn2O3 and BaSn2O3, which can be stabilized by Sn-rich conditions in phase stability diagrams. Their structures follow the Zintl behaviour and consist of basic structural motifs of SnO3 tetrahedra. Unexpectedly they show distinct electronic properties with band gaps ranging from 1.90 (BaSn2O3) to 3.15 (SrSn2O3) eV, and hole effective masses ranging from 0.87 (BaSn2O3) to above 6.0 (SrSn2O3) m0. Further exploration of metastable phases indicates a wide tunability of electronic properties controlled by the details of the bonding between the basic structural motifs. Lastly, this suggests further exploration of alkaline-earth metal Sn(II) oxides for potential applications requiring good p-type conductivity such as transparent conductors and photovoltaic absorbers.

4. Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity

DOE PAGES

Du, Mao -Hua; Singh, David J.; Zhang, Lijun; ...

2016-04-19

Oxides with good p-type conductivity have been long sought after to achieve high performance all-oxide optoelectronic devices. Divalent Sn(II) based oxides are promising candidates because of their rather dispersive upper valence bands caused by the Sn-5s/O-2p anti-bonding hybridization. There are so far few known Sn(II) oxides being p-type conductive suitable for device applications. Here, we present via first-principles global optimization structure searches a material design study for a hitherto unexplored Sn(II)-based system, ternary alkaline-earth metal Sn(II) oxides in the stoichiometry of MSn2O3 (M = Mg, Ca, Sr, Ba). We identify two stable compounds of SrSn2O3 and BaSn2O3, which can bemore » stabilized by Sn-rich conditions in phase stability diagrams. Their structures follow the Zintl behaviour and consist of basic structural motifs of SnO3 tetrahedra. Unexpectedly they show distinct electronic properties with band gaps ranging from 1.90 (BaSn2O3) to 3.15 (SrSn2O3) eV, and hole effective masses ranging from 0.87 (BaSn2O3) to above 6.0 (SrSn2O3) m0. Further exploration of metastable phases indicates a wide tunability of electronic properties controlled by the details of the bonding between the basic structural motifs. Lastly, this suggests further exploration of alkaline-earth metal Sn(II) oxides for potential applications requiring good p-type conductivity such as transparent conductors and photovoltaic absorbers.« less

5. Synthesis, characterization and anti-microbial activity of phenylurea-formaldehyde resin (PUF) and its polymer metal complexes (PUF-Mn(II)

2012-10-01

Phenylurea-formaldehyde polymer (PUF) was synthesized via polycondensation of phenylurea and formaldehyde in basic medium, its polymer-metal complexes [PUF-M(II)] were prepared with Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) ions. PUF and PUF-M(II) were characterized with magnetic moment measurements, elemental and spectral (UV-visible, FTIR, 1H-NMR, 13C-NMR and ESR) analysis. The thermal behaviors of all the synthesized polymers were carried out using thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The thermal data revealed that all of the PUF-M(II) showed higher thermal stabilities than the PUF and also ascribed that the PUF-Cu(II) showed better thermal stability than the other PUF-M(II). The kinetic parameters such as activation energy, pre-exponential factor etc., were evaluated for these polymer metal complexes using Coats-Redfern equation. In addition, the antimicrobial activity of the synthesized polymers was tested against several microorganisms using agar well diffusion methods. Among all of the PUF-M(II), the antimicrobial activity of the PUF-Cu(II) showed the highest zone of inhibition because of its higher stability constant and may be used in biomedical applications.

6. Synthesis, characterization and anti-microbial activity of phenylurea-formaldehyde resin (PUF) and its polymer metal complexes (PUF-Mn(II).

PubMed

2012-10-01

Phenylurea-formaldehyde polymer (PUF) was synthesized via polycondensation of phenylurea and formaldehyde in basic medium, its polymer-metal complexes [PUF-M(II)] were prepared with Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) ions. PUF and PUF-M(II) were characterized with magnetic moment measurements, elemental and spectral (UV-visible, FTIR, 1H-NMR, 13C-NMR and ESR) analysis. The thermal behaviors of all the synthesized polymers were carried out using thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The thermal data revealed that all of the PUF-M(II) showed higher thermal stabilities than the PUF and also ascribed that the PUF-Cu(II) showed better thermal stability than the other PUF-M(II). The kinetic parameters such as activation energy, pre-exponential factor etc., were evaluated for these polymer metal complexes using Coats-Redfern equation. In addition, the antimicrobial activity of the synthesized polymers was tested against several microorganisms using agar well diffusion methods. Among all of the PUF-M(II), the antimicrobial activity of the PUF-Cu(II) showed the highest zone of inhibition because of its higher stability constant and may be used in biomedical applications.

7. KMOS view of the Galactic Centre - II. Metallicity distribution of late-type stars

Feldmeier-Krause, A.; Kerzendorf, W.; Neumayer, N.; Schödel, R.; Nogueras-Lara, F.; Do, T.; de Zeeuw, P. T.; Kuntschner, H.

2017-01-01

Knowing the metallicity distribution of stars in the Galactic Centre has important implications for the formation history of the Milky Way nuclear star cluster. However, this distribution is not well known, and is currently based on a small sample of fewer than 100 stars. We obtained near-infrared K-band spectra of more than 700 late-type stars in the central 4 pc2 of the Milky Way nuclear star cluster with the integral-field spectrograph KMOS (VLT). We analyse the medium-resolution spectra using a full-spectral fitting method employing the Göttingen spectral library of synthetic PHOENIX spectra. The derived stellar metallicities range from metal-rich [M/H] > +0.3 dex to metal-poor [M/H] <-1.0 dex, with a fraction of 5.2^{+6.0}_{-3.1} per cent metal-poor ([M/H] ≤ -0.5 dex) stars. The metal-poor stars are distributed over the entire observed field. The origin of metal-poor stars remains unclear. They could originate from infalling globular clusters. For the metal-rich stellar population ([M/H] > 0 dex), a globular cluster origin can be ruled out. As there is only a very low fraction of metal-poor stars in the central 4 pc2 of the Galactic Centre, we believe that our data can discard a scenario in which the Milky Way nuclear star cluster is purely formed from infalling globular clusters.

8. Biological Low-pH Mn(II) Oxidation in a Manganese Deposit Influenced by Metal-Rich Groundwater

PubMed Central

Bohu, Tsing; Akob, Denise M.; Abratis, Michael; Lazar, Cassandre S.

2016-01-01

ABSTRACT The mechanisms, key organisms, and geochemical significance of biological low-pH Mn(II) oxidation are largely unexplored. Here, we investigated the structure of indigenous Mn(II)-oxidizing microbial communities in a secondary subsurface Mn oxide deposit influenced by acidic (pH 4.8) metal-rich groundwater in a former uranium mining area. Microbial diversity was highest in the Mn deposit compared to the adjacent soil layers and included the majority of known Mn(II)-oxidizing bacteria (MOB) and two genera of known Mn(II)-oxidizing fungi (MOF). Electron X-ray microanalysis showed that romanechite [(Ba,H2O)2(Mn4+,Mn3+)5O10] was conspicuously enriched in the deposit. Canonical correspondence analysis revealed that certain fungal, bacterial, and archaeal groups were firmly associated with the autochthonous Mn oxides. Eight MOB within the Proteobacteria, Actinobacteria, and Bacteroidetes and one MOF strain belonging to Ascomycota were isolated at pH 5.5 or 7.2 from the acidic Mn deposit. Soil-groundwater microcosms demonstrated 2.5-fold-faster Mn(II) depletion in the Mn deposit than adjacent soil layers. No depletion was observed in the abiotic controls, suggesting that biological contribution is the main driver for Mn(II) oxidation at low pH. The composition and species specificity of the native low-pH Mn(II) oxidizers were highly adapted to in situ conditions, and these organisms may play a central role in the fundamental biogeochemical processes (e.g., metal natural attenuation) occurring in the acidic, oligotrophic, and metalliferous subsoil ecosystems. IMPORTANCE This study provides multiple lines of evidence to show that microbes are the main drivers of Mn(II) oxidation even at acidic pH, offering new insights into Mn biogeochemical cycling. A distinct, highly adapted microbial community inhabits acidic, oligotrophic Mn deposits and mediates biological Mn oxidation. These data highlight the importance of biological processes for Mn biogeochemical cycling

9. Positron program at the Idaho Accelerator Center

SciTech Connect

Stancari, Giulio

2009-09-02

Positron physics is an important part of the research activities at the Idaho Accelerator Center (IAC). With positron annihilation spectroscopy, maps of nanodefects in materials have been obtained. For this purpose, positrons are generated by radioactive decay, photoactivation, or pair production. Preliminary tests of positron sources in the MeV range based on electron linacs have also been carried out at the IAC, and an expansion of this program is planned. A similar positron beam at Jefferson Lab would greatly improve our knowledge of the inner structure of the proton. In this paper, research with positrons at the IAC is reviewed. After a description of the Center's facilities, results from positron annihilation spectroscopy are discussed, together with future plans for testing a prototype positron source for CEBAF.

10. Particle physics. Positrons ride the wave

SciTech Connect

Piot, Philippe

2015-08-26

Here, experiments reveal that positrons — the antimatter equivalents of electrons — can be rapidly accelerated using a plasma wave. The findings pave the way to high-energy electron–positron particle colliders.

11. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. II. Application—Effect of quantum confinement and homogeneous strain on Cu conductance

SciTech Connect

Hegde, Ganesh Povolotskyi, Michael; Kubis, Tillmann; Charles, James; Klimeck, Gerhard

2014-03-28

The Semi-Empirical tight binding model developed in Part I Hegde et al. [J. Appl. Phys. 115, 123703 (2014)] is applied to metal transport problems of current relevance in Part II. A systematic study of the effect of quantum confinement, transport orientation, and homogeneous strain on electronic transport properties of Cu is carried out. It is found that quantum confinement from bulk to nanowire boundary conditions leads to significant anisotropy in conductance of Cu along different transport orientations. Compressive homogeneous strain is found to reduce resistivity by increasing the density of conducting modes in Cu. The [110] transport orientation in Cu nanowires is found to be the most favorable for mitigating conductivity degradation since it shows least reduction in conductance with confinement and responds most favorably to compressive strain.

12. A spin-canted Ni(II)4-based metal-organic framework with gas sorption properties and high adsorptive selectivity for light hydrocarbons.

PubMed

Li, Jia; Guo, Ying; Fu, Hong-Ru; Zhang, Jian; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun

2014-08-21

The reaction of nickel(II) nitrate with isonicotinic acid and 2,6-dimethyl-pyridine-3,5-dicarboxylic acid affords a novel, tetranuclear nickel(II)-based metal-organic framework that exhibits spin-canted antiferromagnetism with a canted angle of 1.65° and high adsorptive selectivity for light hydrocarbons.

13. Removal Efficiency of the Heavy Metals Zn(II), Pb(II) and Cd(II) by Saprolegnia delica and Trichoderma viride at Different pH Values and Temperature Degrees.

PubMed

Ali, Esam H; Hashem, Mohamed

2007-09-01

The removal efficiency of the heavy metals Zn, Pb and Cd by the zoosporic fungal species Saprolegnia delica and the terrestrial fungus Trichoderma viride, isolated from polluted water drainages in the Delta of Nile in Egypt, as affected by various ranges of pH values and different temperature degrees,was extensively investigated. The maximum removal efficiency of S. delica for Zn(II) and Cd(II) was obtained at pH 8 and for Pb(II) was at pH 6 whilst the removal efficiency of T. viride was found to be optimum at pH 6 for the three applied heavy metals. Regardless the median lethal doses of the three heavy metals, Zn recorded the highest bioaccumulation potency by S. delica at all pH values except at pH 4, followed by Pb whereas Cd showed the lowest removal potency by the fungal species and vice versa in case of T. viride. The optimum biomass dry weight production by S. delica was found when the fungus was grown in the medium treated with the heavy metal Pb at pH 6, followed by Zn at pH 8 and Cd at pH 8. The optimum biomass dry weight yield by T. viride amended with Zn,Pb and Cd was obtained at pH 6 for the three heavy metals with the maximum value at Zn. The highest yield of biomass dry weight was found when T. viride treated with Cd at all different pH values followed by Pb whilst Zn output was the lowest and this result was reversed in case of S. delica. The maximum removal efficiency and the biomass dry weight production for the three tested heavy metals was obtained at the incubation temperature 20℃ in case of S. delica while it was 25℃ for T. viride. Incubation of T. viride at higher temperatures (30℃ and 35℃) enhanced the removal efficiency of Pb and Cd than low temperatures (15℃ and 20℃) and vice versa in case of Zn removal. At all tested incubation temperatures, the maximum yield of biomass dry weight was attained at Zn treatment by the two tested fungal species. The bioaccumulation potency of S. delica for Zn was higher than that for Pb at all

14. Characterizing microstructural changes in ferritic steels by positron annihilation spectroscopy: Studies on modified 9Cr-1Mo steel

Hari Babu, S.; Rajkumar, K. V.; Hussain, S.; Amarendra, G.; Sundar, C. S.; Jayakumar, T.

2013-01-01

Applicability of positron annihilation spectroscopy in probing the microstructural changes in ferritic steels has been investigated with thermal treatment studies on modified 9Cr-1Mo steel, during 300-1273 K. Positron lifetime results are compared with those of ultrasonic velocity and hardness techniques with two initial microstructural conditions i.e., normalized and tempered condition as well as only normalized condition. In first case, positron lifetime is found to be sensitive to small changes in metal carbide precipitation which could not be probed by other two techniques. In later case, positron lifetime is found to be sensitive to defect annealing until 673 K and in distinguishing the growth and coarsening of metal carbide precipitation stages during 773-1073 K. The present study suggests that by combining positron lifetime, ultrasonic velocity and hardness measurements, it is possible to distinguish distinct microstructures occurring at different stages.

15. Studies of high coverage oxidation of the Cu(100) surface using low energy positrons

Fazleev, N. G.; Maddox, W. B.; Weiss, A. H.

2012-02-01

The study of oxidation of single crystal metal surfaces is important in understanding the corrosive and catalytic processes associated with thin film metal oxides. The structures formed on oxidized transition metal surfaces vary from simple adlayers of chemisorbed oxygen to more complex structures which result from the diffusion of oxygen into subsurface regions. In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. Calculations are performed for various high coverage missing row structures ranging between 0.50 and 1.50 ML oxygen coverage. The results of calculations of positron binding energy, positron work function, and annihilation characteristics of surface trapped positrons with relevant core electrons as function of oxygen coverage are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES).

16. Heavy metal pollution among autoworkers. II. Cadmium, chromium, copper, manganese, and nickel.

PubMed Central

Clausen, J; Rastogi, S C

1977-01-01

Garages and auto-repair workshops may be polluted with other heavy metals besides lead. Blood of autoworkers with high lead content was analysed for cadmium, chromium, copper manganese, nickel, ALAD activity and carboxyhaemoglobin level. Cadmium and copper levels in blood of autoworkers were comparable with those of the control subjects while chroimium and nickel levels were significantly higher (P less than 0-01 for both metals), and scattered raised values of manganese were found. There was no significant mutual correlation between levels of various heavy metals determined in whole blood. High copper levels were slightly related to decreasing ALAD activity (P less than 0-1). Nineteen per cent of autoworkers were found to have an abnormally blood level of carboxyhaemoglobin. The amount of particulate heavy metal in autoworkshop air was not related to biochemical abnormalities found in the autoworkers. Various sources of pollution of these heavy metals in autoworkshops are discussed. PMID:71915

17. Removal of Hg(II) from aqueous solution using sodium humate as heavy metal capturing agent.

PubMed

Wang, Shixiang; Liu, Yong; Fan, Qin; Zhou, Anlan; Fan, Lu; Mu, Yulan

2016-12-01

An environmental friendly and economic natural biopolymer-sodium humate (HA-Na) was used to capture Hg(II) from aqueous solutions, and the trapped Hg(II) (HA-Na-Hg) was then removed by aluminium coagulation. The best Hg(II) capturing performance (90.60%) was observed under the following conditions: initial pH of 7.0, coagulation pH of 6.0, HA-Na dosage of 5.0 g L(-1), Al2(SO4)3.18H2O dosage of 4.0 g L(-1), initial Hg(II) concentration of 50 mg L(-1) and capturing time of 30 min. The HA-Na compositions with the molecular weight beyond 70 kDa showed the most intense affinity toward Hg(II). The results showed that the reaction equilibrium was achieved within 10 min (pH 7.0), and could be well fitted by the pseudo-second-order kinetics model. The capturing process could be well described by the Langmuir isotherm model and the maximum capturing capacity of Hg(II) was high up to 9.80 mg g(-1) at 298 K (pH 7.0). The Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) analysis showed that the redox reaction between Hg(II) and HA-Na and the coordination reaction of carboxyl and hydroxy groups of HA-Na with Hg(II) were responsible for Hg(II) removal. The successive regeneration experiment showed that the capturing efficiency of humates for Hg(II) was maintained at about 51% after five capture-regeneration recycles.

18. Global properties of M31's stellar halo from the splash survey. II. Metallicity profile

SciTech Connect

Gilbert, Karoline M.; Kalirai, Jason S.; Guhathakurta, Puragra; Geha, Marla C.; Tollerud, Erik J.; Kirby, Evan N.; Bullock, James S.; Tanaka, Mikito; Chiba, Masashi

2014-12-01

We present the metallicity distribution of red giant branch (RGB) stars in M31's stellar halo, derived from photometric metallicity estimates for over 1500 spectroscopically confirmed RGB halo stars. The stellar sample comes from 38 halo fields observed with the Keck/DEIMOS spectrograph, ranging from 9 to 175 kpc in projected distance from M31's center, and includes 52 confirmed M31 halo stars beyond 100 kpc. While a wide range of metallicities is seen throughout the halo, the metal-rich peak of the metallicity distribution function becomes significantly less prominent with increasing radius. The metallicity profile of M31's stellar halo shows a continuous gradient from 9 to ∼100 kpc, with a magnitude of ∼ – 0.01 dex kpc{sup –1}. The stellar velocity distributions in each field are used to identify stars that are likely associated with tidal debris features. The removal of tidal debris features does not significantly alter the metallicity gradient in M31's halo: a gradient is maintained in fields spanning 10-90 kpc. We analyze the halo metallicity profile, as well as the relative metallicities of stars associated with tidal debris features and the underlying halo population, in the context of current simulations of stellar halo formation. We argue that the large-scale gradient in M31's halo implies M31 accreted at least one relatively massive progenitor in the past, while the field to field variation seen in the metallicity profile indicates that multiple smaller progenitors are likely to have contributed substantially to M31's outer halo.

19. Alginate and Algal-Based Beads for the Sorption of Metal Cations: Cu(II) and Pb(II)

PubMed Central

Wang, Shengye; Vincent, Thierry; Faur, Catherine; Guibal, Eric

2016-01-01

Alginate and algal-biomass (Laminaria digitata) beads were prepared by homogeneous Ca ionotropic gelation. In addition, glutaraldehyde-crosslinked poly (ethyleneimine) (PEI) was incorporated into algal beads. The three sorbents were characterized by scanning electron microscopy (SEM) coupled with energy dispersive X-ray analysis (EDX): the sorption occurs in the whole mass of the sorbents. Sorption experiments were conducted to evaluate the impact of pH, sorption isotherms, and uptake kinetics. A special attention was paid to the effect of drying (air-drying vs. freeze-drying) on the mass transfer properties. For alginate, freeze drying is required for maintaining the porosity of the hydrogel, while for algal-based sorbents the swelling of the material minimizes the impact of the drying procedure. The maximum sorption capacities observed from experiments were 415, 296 and 218 mg Pb g−1 and 112, 77 and 67 mg Cu g−1 for alginate, algal and algal/PEI beads respectively. Though the sorption capacities of algal-beads decreased slightly (compared to alginate beads), the greener and cheaper one-pot synthesis of algal beads makes this sorbent more competitive for environmental applications. PEI in algal beads decreases the sorption properties in the case of the sorption of metal cations under selected experimental conditions. PMID:27598128

20. Modification and characterization of PET fibers for fast removal of Hg(II), Cu(II) and Co(II) metal ions from aqueous solutions.

PubMed

Monier, M; Abdel-Latif, D A

2013-04-15

A new chelating fiber (PET-TSC) was prepared with PET for fast removal of Hg(2+), Cu(2+) and Co(2+) from water. Elemental analysis, SEM, BET surface area, (13)C NMR, FTIR and X-ray diffraction spectra were used to characterize PET-TSC. The higher uptake capacity of the studied metal ions was observed at higher pH values. Kinetic study indicated that the adsorption of Hg(2+), Cu(2+) and Co(2+) followed the pseudo-second-order equation, suggesting chemical sorption as the rate-limiting step of the adsorption process. The best interpretation for the equilibrium data was given by Langmuir isotherm, and the maximum adsorption capacities were 120.02, 96.81 and 78.08 mg/g for Hg(2+), Cu(2+) and Co(2+) ions, respectively. 1M HCl or 0.1M EDTA could be used as effective eluant to desorb the Hg(2+), Cu(2+) and Co(2+) adsorbed by PET-TSC, and the adsorption capacity of PET-TSC for the three heavy metal ions could still be maintained at about 90% level at the 5th cycle. Accordingly, it is expected that PET-TSC could be used as a promising adsorbent for fast removal of heavy metal ions from water, and the present work also might provide a simple and effective method to reuse the waste PET fibers.

1. Theoretical study of the Pb(II)-catechol system in dilute aqueous solution: Complex structure and metal coordination sphere determination

Lapouge, Christine; Cornard, Jean-Paul

2010-04-01

We investigated the unknown interaction of Pb(II) with catechol ligand in diluted aqueous solution by electronic spectroscopies combined with quantum chemical calculations. The aim of this work is the determination of the complete structure of the complex formed and particularly the metal coordination sphere. Three successive steps have been necessary to reach this goal: (i) the comparison of the experimental electronic absorption spectrum with theoretical spectra calculated from various hypothetical structures, (ii) complexation reaction pathways calculations in vacuum and with taking into account the solvent effects and finally (iii) the fluorescence emission wavelength calculations. All these investigations led to identify a monodentate complex with the monodeprotonated ligand, in which the Pb atom presents a coordination number of five. The formula of the complex is [Pb(Hcat)(HO)4]mono+.

2. Positron-acoustic shock waves associated with cold viscous positron fluid in superthermal electron-positron-ion plasmas

SciTech Connect

Uddin, M. J. Alam, M. S.; Mamun, A. A.

2015-06-15

A theoretical investigation is made on the positron-acoustic (PA) shock waves (SHWs) in an unmagnetized electron-positron-ion plasma containing immobile positive ions, cold mobile positrons, and hot positrons and electrons following the kappa (κ) distribution. The cold positron kinematic viscosity is taken into account, and the reductive perturbation method is used to derive the Burgers equation. It is found that the viscous force acting on cold mobile positron fluid is a source of dissipation and is responsible for the formation of the PA SHWs. It is also observed that the fundamental properties of the PA SHWs are significantly modified by the effects of different parameters associated with superthermal (κ distributed) hot positrons and electrons.

3. Defects in nitride-based semiconductors probed by positron annihilation

Uedono, A.; Sumiya, M.; Ishibashi, S.; Oshima, N.; Suzuki, R.

2014-04-01

Point defects in InxGa1-xN grown by metal organic chemical vapor deposition were studied by a monoenergetic positron beam. Measurements of Doppler broadening spectra of the annihilation radiation as a function of incident positron energy for InxGa1-xN (x = 0.08 and 0.14) showed that vacancy-type defects were introduced with increasing InN composition. From comparisons between coincidence Doppler broadening spectra and the results calculated using the projector augmented-wave method, the major defect species was identified as the complexes between a cation vacancy and nitride vacancies. The concentration of the defects was found to be suppressed by Mg doping. An effect of Mg-doping on the positron diffusion properties in GaN and InN was also discussed. The momentum distribution of electrons at the InxGa1-xN/GaN interface was close to that in defect-free GaN or InxGa1-xN, which was attributed to the localization of positrons at the interface due to the electric field caused by polarizations.

4. A curious interplay in the films of N-heterocyclic carbene PtII complexes upon deposition of alkali metals

PubMed Central

Makarova, Anna A.; Grachova, Elena V.; Niedzialek, Dorota; Solomatina, Anastasia I.; Sonntag, Simon; Fedorov, Alexander V.; Vilkov, Oleg Yu.; Neudachina, Vera S.; Laubschat, Clemens; Tunik, Sergey P.; Vyalikh, Denis V.

2016-01-01

The recently synthesized series of PtII complexes containing cyclometallating (phenylpyridine or benzoquinoline) and N-heterocyclic carbene ligands possess intriguing structures, topologies, and light emitting properties. Here, we report curious physicochemical interactions between in situ PVD-grown films of a typical representative of the aforementioned PtII complex compounds and Li, Na, K and Cs atoms. Based on a combination of detailed core-level photoelectron spectroscopy and quantum-chemical calculations at the density functional theory level, we found that the deposition of alkali atoms onto the molecular film leads to unusual redistribution of electron density: essential modification of nitrogen sites, reduction of the coordination PtII centre to Pt0 and decrease of electron density on the bromine atoms. A possible explanation for this is formation of a supramolecular system “Pt complex-alkali metal ion”; the latter is supported by restoration of the system to the initial state upon subsequent oxygen treatment. The discovered properties highlight a considerable potential of the PtII complexes for a variety of biomedical, sensing, chemical, and electronic applications. PMID:27151364

5. Spectral characterization, electrochemical and anticancer studies on some metal(II) complexes containing tridentate quinoxaline Schiff base

Chellaian, Justin Dhanaraj; Johnson, Jijo

2014-06-01

Co(II), Ni(II), Cu(II) and Zn(II) complexes of a tridentate ONO donor Schiff base ligand derived from 3-(2-aminoethylamino)quinoxalin-2(1H)-one were synthesized. The ligand and its metal complexes were characterized using elemental analysis, molar conductance, IR, 1H NMR, mass, magnetic susceptibility, electronic spectra and ESR spectral studies. Electrochemical behavior of the synthesized compounds was studied using cyclic voltammetry. The grain size of the synthesized compounds was determined by powder XRD. The Schiff base and its complexes have been screened for their antimicrobial activities against the bacterial species E. coli, K. pneumoniae, P. aeruginosa and S. aureus; fungal species include, A. niger, and C. albicans by disc diffusion method. The results show that the complexes have higher activity than the free ligand. The interaction of the complexes with calf thymus DNA (CT DNA) has been investigated by electronic absorption method. Furthermore, the DNA cleavage activity of the complexes was studied using agarose gel electrophoresis. In vitro anticancer studies of the ligand and its complexes using MTT assay was also done.

6. [Emergent treatment process for raw water polluted by heavy metal Pb (II)].

PubMed

Chu, Wen-Hai; Gao, Nai-Yun; Yao, Juan-Juan; Shang, Ya-Bo; Qin, Zhu-Qun

2008-10-01

Based on two common coagulants-polyferric sulfate (PFS) and polyaluminum chloride (PACl), some measurements and processes in the background of Pb (II) concentration sudden increase in water were studied. The removal efficiency of Pb(II) was compared between PAC and diatomite absorption with coagulation. The effect of coagulant dosage, initial concentration of Pb(II), pH value and KMnO4 preoxidation on coagulation were investigated. The results showed that using PFS was better than PACl for the removal of Pb(II). The regulating pH value up to 9 could improve the removal efficiency of Pb(II) up to 95% by coagulation under the optimum dosage of coagulant PFS of 10 mg/L. KMnO4 preoxidation could improve the removal efficacy of Pb(II) by coagulation of PACl only. The Pb(II) removal efficiency of PAC and diatomite absorption with coagulation were almost equal. Pb(II) concentration could be lowered from 402 microg/L to below 10 microg/L under the condition that dosages of PAC or diatomite were 10 mg/L or 25 mg/L by using PFS. The same effect could be got under the condition that dosages of PAC or diatomite were 20 mg/L or 50 mg/L by using PACl. KMnO4 and diatomite are dosed at the same time would weaken their function each other. Therefore, diatomite adsorption coupled with coagulation is the simplest and most effective method for removing Pb(II).

7. Isotopic studies of the metal-ligand vibrations in histamine complexes with Copper(II)

Drożdżewski, Piotr; Kordon, Ewa

2000-06-01

Two known copper complexes of the formulae Cu(hm) 2(ClO 4) 2, Cu(hm)Cl 2 and new, Cu(hm)Br 2 (hm=histamine) have been investigated in the 600-50 cm -1 far-infrared region. Assignments of vibrations related to metal-ligand bonds have been made based on metal isotope substitution, partial deuteration and halogen sensitivity. Copper-hm stretching vibrations have been localised at 420, 417 and 411 cm -1 for modes involving amine nitrogen and at 282, 270, 259 cm -1 for those of imidazole nitrogen. Vibrational coupling between some metal-ligand modes has been postulated.

8. Solid-Phase Equilibria for Metal-Silicon-Oxygen Ternary Systems. II. Sc, Y, and La

DTIC Science & Technology

1991-02-28

Organization: Regents of the University of California TECHNICAL REPORT No. 9 SOLID- PHASE EQUILIBRIA FOR METAL-SILICON-OXYGEN TERNARY SYSTEMS: 11: Sc, Y, AND La...34’ SOLID- PHASE EQUILIBRIA FOR METAL-SILICON-OXYGEN TERNARY SYSTEMS: 11: Sc, Y, AND 1a 13 0911OtiA AUTHORCS) Haojie Yuan and R. Stanley Williams lI" TV...0660te tCLhSSWI=) Solid phase equilibria for metal-silicon-oxygen ternary systems I1: Sc, Y and La Haojie Yuan and R. Stanley Williams Department of

9. Dinuclear metal(ii)-acetato complexes based on bicompartmental 4-chlorophenolate: syntheses, structures, magnetic properties, DNA interactions and phosphodiester hydrolysis.

PubMed

Massoud, Salah S; Ledet, Catherine C; Junk, Thomas; Bosch, Simone; Comba, Peter; Herchel, Radovan; Hošek, Jan; Trávníček, Zdeněk; Fischer, Roland C; Mautner, Franz A

2016-08-09

A series of dinuclear metal(ii)-acetato complexes: [Ni2(μ-L(Cl)O)(μ2-OAc)2](PF6)·3H2O (1), [Ni2(μ-L(Cl)O)(μ2-OAc)2](ClO4)·CH3COCH3 (2), [Cu2(μ-L(Cl)O)(μ2-OAc)(ClO4)](ClO4) (3), [Cu2(μ-L(Cl)O)(OAc)2](PF6)·H2O (4), [Zn2(μ-L(Cl)O)(μ2-OAc)2](PF6) (5) and [Mn2(L(Cl)-O)(μ2-OAc)2](ClO4)·H2O (6), where L(Cl)O(-) = 2,6-bis[bis(2-pyridylmethyl)aminomethyl]-4-chlorophenolate, were synthesized. The complexes were structurally characterized by spectroscopic techniques and single crystal X-ray crystallography. Six-coordinate geometries with doubly bridged acetato ligands were found in Ni(ii), Zn(ii) and Mn(ii) complexes 1, 2, 5 and 6, whereas with Cu(ii) complexes a five-coordinate species was obtained with 4, and mixed five- and six-coordinate geometries with a doubly bridged dimetal core were observed in 3. The magnetic properties of complexes 1-4 and 6 were studied at variable temperatures and revealed weak to very weak antiferromagnetic interactions in 1, 2, 4 and 6 (J = -0.55 to -9.4 cm(-1)) and ferromagnetic coupling in 3 (J = 15.4 cm(-1)). These results are consistent with DFT calculations performed at the B3LYP/def2-TZVP(-f) level of theory. Under physiological conditions, the interaction of the dinculear complexes 1-5 with supercoiled plasmid ds-DNA did not show any pronounced nuclease activity, but Ni(ii) complexes 1 and 2 revealed a strong ability to unwind the supercoiled conformation of ds-DNA. The mechanistic studies performed on the interaction of the Ni(ii) complexes with DNA demonstrated the important impact of the nickel(ii) ion in the unwinding process. In combination with the DNA study, the phosphatase activity of complexes 1, 3, and 5 was examined by the phosphodiester hydrolysis of bis(2,4-dinitrophenol)phosphate (BDNPP) in the pH range of 5.5-10.5 at 25 °C. The Michaelis-Menten kinetics performed at pH 7 and 10.7 showed that catalytic efficiencies kcat/KM (kcat = catalytic rate constant, KM = substrate binding constant) decrease in the order

10. Multi-component synthesis of 2-amino-6-(alkyllthio)pyridine-3,5-dicarbonitriles using Zn(II) and Cd(II) metal-organic frameworks (MOFs) under solvent-free conditions.

PubMed

Thimmaiah, Muralidhara; Li, Peng; Regati, Sridhar; Chen, Banglin; Zhao, John Cong-Gui

2012-09-05

Multi-component synthesis 2-amino-3,5-dicarbonitrile-6-thio-pyridines has been developed by using the reaction of aldehydes, malononitrile, and thiophenols in the presence of a Zn (II) or a Cd(II) metal-organic framework (MOF) as the heterogeneous catalyst. This protocol tolerates different functional groups on the substrates and does not require the use of any organic solvent. Moreover, the Zn(II) and Cd (II) MOF catalysts can be recovered and reused for a number of runs without loss of activity.

11. Galaxy evolution in cosmological simulations with outflows - II. Metallicities and gas fractions

Davé, Romeel; Finlator, Kristian; Oppenheimer, Benjamin D.

2011-09-01

We use cosmological hydrodynamic simulations to investigate how inflows, star formation and outflows govern the gaseous and metal content of galaxies within a hierarchical structure formation context. In our simulations, galaxy metallicities are established by a balance between inflows and outflows as governed by the mass outflow rate, implying that the mass-metallicity relation reflects how the outflow rate varies with stellar mass. Gas content, meanwhile, is set by a competition between inflow into and gas consumption within the interstellar medium, the latter being governed by the star formation law, while the former is impacted by both wind recycling and preventive feedback. Stochastic variations in the inflow rate move galaxies off the equilibrium mass-metallicity and mass-gas fraction relations in a manner correlated with the star formation rate, and the scatter is set by the time-scale to re-equilibrate. The evolution of both relations from z= 3 → 0 is slow, as individual galaxies tend to evolve mostly along the relations. Gas fractions at a given stellar mass slowly decrease with time because the cosmic inflow rate diminishes faster than the consumption rate, while metallicities slowly increase as infalling gas becomes more enriched. Observations from z˜ 3 → 0 are better matched by simulations employing momentum-driven wind scalings rather than constant wind speeds, but all models predict too low gas fractions at low masses and too high metallicities at high masses. All our models reproduce observed second-parameter trends of the mass-metallicity relation with the star formation rate and environment, indicating that these are a consequence of equilibrium and not feedback. Overall, the analytical framework of our equilibrium scenario broadly captures the relevant physics establishing the galaxy gas and metal content in simulations, which suggests that the cycle of baryonic inflows and outflows centrally governs the cosmic evolution of these properties

12. Heavy metals in urban soils of East St. Louis, IL. Part II: Leaching characteristics and modeling.

PubMed

Kaminski, M D; Landsberger, S

2000-09-01

The city of East St. Louis, IL, has a history of abundant industrial activities including smelters of ferrous and non-ferrous metals, a coal-fired power plant, companies that produced organic and inorganic chemicals, and petroleum refineries. Following a gross assessment of heavy metals in the community soils (see Part I of this two-part series), leaching tests were performed on specific soils to elucidate heavy metal-associated mineral fractions and general leachability. Leaching experiments, including the Toxicity Characteristic Leaching Procedure (TLCP) and column tests, and sequential extractions, illustrated the low leachability of metals in East St. Louis soils. The column leachate results were modeled using a formulation developed for fly ash leaching. The importance of instantaneous dissolution was evident from the model. By incorporating desorption/adsorption terms into the source term, the model was adapted very well to the time-dependent heavy metal leachate concentrations. The results demonstrate the utility of a simple model to describe heavy metal leaching from contaminated soils.

13. Heavy Metals in Urban Soils of East St. Louis, IL Part II: Leaching Characteristics and Modeling.

PubMed

Kaminski, Michael D; Landsberger, Sheldon

2000-09-01

The city of East St. Louis, IL, has a history of abundant industrial activities including smelters of ferrous and non-ferrous metals, a coal-fired power plant, companies that produced organic and inorganic chemicals, and petroleum refineries. Following a gross assessment of heavy metals in the community soils (see Part I of this two-part series), leaching tests were performed on specific soils to elucidate heavy metal-associated mineral fractions and general leachability. Leaching experiments, including the Toxicity Characteristic Leaching Procedure (TLCP) and column tests, and sequential extractions, illustrated the low leachability of metals in East St. Louis soils. The column leachate results were modeled using a formulation developed for fly ash leaching. The importance of instantaneous dissolution was evident from the model. By incorporating desorption/adsorption terms into the source term, the model was adapted very well to the time-dependent heavy metal leachate concentrations. The results demonstrate the utility of a simple model to describe heavy metal leaching from contaminated soils.

14. Positron microanalysis with high intensity beams

SciTech Connect

Hulett, L.D. Jr.; Donohue, D.L.

1990-01-01

One of the more common applications for a high intensity slow positron facility will be microanalysis of solid materials. In the first section of this paper some examples are given of procedures that can be developed. Since most of the attendees of this workshop are experts in positron spectroscopy, comprehensive descriptions will be omitted. With the exception of positron emission microscopy, most of the procedures will be based on those already in common use with broad beams. The utility of the methods have all been demonstrated, but material scientists use very few of them because positron microbeams are not generally available. A high intensity positron facility will make microbeams easier to obtain and partially alleviate this situation. All microanalysis techniques listed below will have a common requirement, which is the ability to locate the microscopic detail or area of interest and to focus the positron beam exclusively on it. The last section of this paper is a suggestion of how a high intensity positron facility might be designed so as to have this capability built in. The method will involve locating the specimen by scanning it with the microbeam of positrons and inducing a secondary electron image that will immediately reveal whether or not the positron beam is striking the proper portion of the specimen. This scanning positron microscope' will be a somewhat prosaic analog of the conventional SEM. It will, however, be an indispensable utility that will enhance the practicality of positron microanalysis techniques. 6 refs., 1 fig.

15. Slow positron beam generator for lifetime studies

NASA Technical Reports Server (NTRS)

Singh, Jag J. (Inventor); Eftekhari, Abe (Inventor); St.clair, Terry L. (Inventor)

1991-01-01

A slow positron beam generator uses a conductive source residing between two test films. Moderator pieces are placed next to the test film on the opposite side of the conductive source. A voltage potential is applied between the moderator pieces and the conductive source. Incident energetic positrons: (1) are emitted from the conductive source; (2) are passed through test film; and (3) isotropically strike moderator pieces before diffusing out of the moderator pieces as slow positrons, respectively. The slow positrons diffusing out of moderator pieces are attracted to the conductive source which is held at an appropriate potential below the moderator pieces. The slow positrons have to pass through the test films before reaching the conductive source. A voltage is adjusted so that the potential difference between the moderator pieces and the conductive source forces the positrons to stop in the test films. Measurable annihilation radiation is emitted from the test film when positrons annihilate (combine) with electrons in the test film.

16. Materials analysis using positron beam lifetime spectroscopy

SciTech Connect

Hartley, J.; Howell, R. H., Asoka-Kumar, P.; Sterne, P.; Stoeffl, W.

1998-11-12

We are using a defect analysis capabilities based on two positron beam lifetime spectrometers: the first is based on a 3 MeV electrostatic accelerator and the second on our high current linac beam. The high energy beam lifetime spectrometer is routinely used to perform positron lifetime analysis with a 3 MeV positron beam on thick sample specimens. It is being used for bulk sample analysis and analysis of samples encapsulated in controlled environments for in situ measurements. A second, low energy, microscopically focused, pulsed positron beam for defect analysis by positron lifetime spectroscopy is under development at the LLNL high current positron source. This beam will enable defect-specific, 3-dimensional maps of defect concentration with sub-micron location resolution. When coupled with first principles calculations of defect specific positron lifetimes it will enable new levels of defect concentration mapping and defect identification.

17. High intensity positron program at LLNL

SciTech Connect

Asoka-Kumar, P.; Howell, R.H.; Stoeffl, W.

1998-09-23

Lawrence Livermore National Laboratory (LLNL) is the home of the world's highest current beam of keV positrons. The potential for establishing a national center for materials analysis using positron annihilation techniques around this capability is being actively pursued. The high LLNL beam current will enable investigations in several new areas. We are developing a positron microprobe that will produce a pulsed, focused positron beam for 3-dimensional scans of defect size and concentration with submicron resolution. Below we summarize the important design features of this microprobe. Several experimental end stations will be available that can utilize the high current beam with a time distribution determined by the electron linac pulse structure, quasi-continuous, or bunched at 20 MHz, and can operate in an electrostatic or (and) magnetostatic environment. Some of the planned early experiments are: two-dimensional angular correlation of annihilation radiation of thin films and buried interfaces, positron diffraction holography, positron induced desorption, and positron induced Auger spectra.

18. Spin polarized low-energy positron source

Petrov, V. N.; Samarin, S. N.; Sudarshan, K.; Pravica, L.; Guagliardo, P.; Williams, J. F.

2015-06-01

This paper presents an investigation of spin polarization of positrons from a source based on the decay of 22Na isotopes. Positrons are moderated by transmission through a tungsten film and electrostatically focussed and transported through a 90 deg deflector to produce a slow positron beam with polarization vector normal to the linear momentum. The polarization of the beam was determined to be about 10% by comparison with polarized electron scattering asymmetries from a thin Fe film on W(110) at 10-10 Torr. Low energy electron emission from Fe layer on W(100) surfaces under positron impact is explored. It is shown that the intensity asymmetry of the electron emission as a function of the incident positron energy can be used to estimate the polarization of the positron beam. Also several materials with long mean free paths for spin relaxation are considered as possible moderators with increased polarization of the emergent positrons.

19. Synthesis, crystal structure and magnetic characterization of metal(II) coordination polymers based on 2-carboxyethylphosphonic acid and 1,10-phenanthroline (metal=Cu, Co, Cd)

SciTech Connect

Fernandez-Zapico, Eva; Montejo-Bernardo, Jose Manuel; D'Vries, Richard; Garcia, Jose R.; Garcia-Granda, Santiago; Rodriguez Fernandez, Jesus; Pedro, Imanol de; Blanco, Jesus A.

2011-12-15

Three non-isostructural metal(II) coordination polymers (metal=copper, cobalt, cadmium) were synthesized under the same mild hydrothermal conditions (T=408 K) by mixture of the corresponding metal acetate with 2-carboxyethylphosphonic acid and 1,10-phenanthroline (1:1:1 M ratio) and their structures were determined by single-crystal X-ray diffraction. Cu{sub 2}(HO{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2}){sub 2}(H{sub 2}O){sub 2} and Cd{sub 2}(HO{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2}){sub 2} are triclinic (space group P-1) with a=7.908(5) A, b=10.373(5) A, c=11.515(5) A, {alpha}=111.683(5) Degree-Sign , {beta}=95.801(5) Degree-Sign , {gamma}=110.212(5) Degree-Sign (T=120 K), and a=8.162(5) A, b=9.500(5) A, c=11.148(5) A, {alpha}=102.623(5) Degree-Sign , {beta}=98.607(5) Degree-Sign , {gamma}=113.004(5) Degree-Sign (T=293 K), respectively. In contrast, [Co{sub 2}(HO{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2}){sub 2}({mu}-OH{sub 2})](H{sub 2}O) is orthorhombic (space group Pbcn) with a=21.1057(2) A, b=9.8231(1) A, c=15.4251(1) A (T=120 K). For these three compounds, structural features, including H-bond network and the {pi}-{pi} stacking interactions, and thermal stability are reported and discussed. None of the materials present a long-range magnetic order in the range of temperatures investigated from 300 K down to 1.8 K. - Graphical abstract: In same synthetic conditions, both the chemical and structural features of three transition metal(II) coordination polymers based on 2-carboxyethylphosphonate and 1-10 Prime -phenanthroline are influenced by the metal cation characteristics, leading to non-homologous materials with different properties, which show the high chemical versatility of this interesting system. Highlights: Black-Right-Pointing-Pointer Non-isostructural metal coordination polymers were synthesized under mild hydrothermal conditions. Black-Right-Pointing-Pointer Ligand's flexibility

20. Gastrointestinal transit of undigestible solids measured by metal detector EAS II.

PubMed

Ewe, K; Press, A G; Dederer, W

1989-06-01

A new method was developed to measure gastrointestinal transit: a metal particle is followed on its way through the gastrointestinal tract by means of a portable metal detector. Deviation of measured localization of the metal particle from the exact site was 0.5-1.0 cm depending on its size and distance from the search probe. A metal sphere of 6 mm diameter can be located accurately in the body at a distance of 2-12 cm from the abdominal surface. Emptying of a metal particle from the stomach, its arrival at the caecal area and its passage through the colon into the rectum can be registered and hence, gastric residence time, small intestinal transit and transit through different parts of the colon were determined. Gastric residence time at the interdigestive phase was (mean +/- SD) 67 +/- 52 min in 20 persons with a range of 9-185 min. When gastric emptying was recorded by pH sensitive radiotelemetering capsule in 10 persons, correlation of both methods was r = 0.99. Small intestinal transit averaged 110 +/- 56 min in six healthy volunteers when breakfast was eaten after the marker had left the stomach. It was delayed to 218 +/- 34 min (P less than 0.01) when fasting was continued. Large intestinal transit of the metal marker was compared to whole body transit of radio-opaque ('Hinton') markers. In nine normal persons, 70% of the Hinton markers were excreted together with the metal particle. It is concluded that this new method is suitable for studying a large variety of physiological, pathophysiological and pharmacological questions concerning gastrointestinal transit.(ABSTRACT TRUNCATED AT 250 WORDS)

1. The Abundance Scatter in M33 from H II Regions: Is There Any Evidence for Azimuthal Metallicity Variations?

Bresolin, Fabio

2011-04-01

Optical spectra of 25 H II regions in the inner 2 kpc of the M33 disk have been obtained with the Gemini Multi-Object Spectrograph at the Gemini North telescope. The oxygen abundance gradient measured from the detection of the [O III] λ4363 auroral line displays a scatter of approximately 0.06 dex, a much smaller value than recently reported by Rosolowsky & Simon in this galaxy. The analysis of the abundances for a large sample of H II regions derived from the R 23 strong-line indicator confirms that the scatter is small over the full disk of M33, consistent with the measuring uncertainties, and comparable to what is observed in other spiral galaxies. No evidence is therefore found for significant azimuthal variations in the present-day metallicity of the interstellar medium in this galaxy on spatial scales from ~100 pc to a few kpc. A considerable fraction of M33 H II regions with auroral line detections show spectral features revealing sources of hard ionizing radiation (such as He II emission and large [Ne III], [O III] line fluxes). Since R 23 is shown to severely underestimate the oxygen abundances in such cases, care must be taken in chemical abundance studies of extragalactic H II regions based on this strong-line indicator. Based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the Science and Technology Facilities Council (United Kingdom), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministério da Ciência e Tecnologia (Brazil) and Ministerio de Ciencia, Tecnología e Innovación Productiva (Argentina).

2. Synthesis, spectroscopic characterization, electrochemistry and biological evaluation of some metal (II) complexes with ONO donor ligand containing benzo[b]thiophene and coumarin moieties

Mahendra Raj, K.; Mruthyunjayaswamy, B. H. M.

2014-09-01

Schiff base ligand 3-chloro-N‧-((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzo[b]thiophene-2-carbohydrazide and its Cu(II), Co(II), Ni(II) and Zn(II) complexes were synthesized, characterized by elemental analysis and various physico-chemical techniques like, IR, 1H NMR, ESI-mass, UV-Visible, thermogravimetry - differential thermal analysis, magnetic measurements and molar conductance. Spectral analysis indicates octahedral geometry for all the complexes. Cu(II) complex have 1:1 stoichiometry of the type [M(L)(Cl)(H2O)2], whereas Co(II), Ni(II) and Zn(II) complexes have 1:2 stoichiometric ratio of the type [M(L)2]. The bonding sites are the oxygen atom of amide carbonyl, nitrogen of azomethine function and phenolic oxygen of the Schiff base ligand via deprotonation. The thermogravimetry - differential thermal analysis studies gave evidence for the presence of coordinated water molecules in the composition of Cu(II) complex which was further supported by IR measurements. All the complexes were investigated for their electrochemical activity, but only the Cu(II) complex showed the redox property. In order to evaluate the effect of antimicrobial potency of metal ions upon chelation, ligand and its metal complexes along with their respective metal chlorides were screened for their antibacterial and antifungal activities by minimum inhibitory concentration (MIC) method. The results showed that the metal complexes were found to be more active than free ligand. Ligand and its complexes were screened for free radical scavenging activity by DPPH method and DNA cleavage activity using Calf-thymus DNA (Cat. No-105850).

3. Gas adsorption and structural diversity in a family of Cu(II) pyridyl-isophthalate metal-organic framework materials

Gould, Jamie A.; Athwal, Harprit Singh; Blake, Alexander J.; Lewis, William; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin

2017-01-01

4. Confinement of a bioinspired nonheme Fe(II) complex in 2D hexagonal mesoporous silica with metal site isolation.

PubMed

Jollet, Véronique; Albela, Belén; Sénéchal-David, Katell; Jégou, Pascale; Kolodziej, Emilie; Sainton, Joëlle; Bonneviot, Laurent; Banse, Frédéric

2013-08-28

A mixed amine pyridine polydentate Fe(II) complex was covalently tethered in hexagonal mesoporous silica of the MCM-41 type. Metal site isolation was generated using adsorbed tetramethylammonium cations acting as a patterned silanol protecting mask and trimethylsilylazane as a capping agent. Then, the amine/pyridine ligand bearing a tethering triethoxysilane group was either grafted to such a pretreated silica surface prior to or after complexation to Fe(II). These two synthetic routes, denoted as two-step and one-step, respectively, were also applied to fumed silica for comparison, except that the silanol groups were capped after tethering the metal unit. The coordination of the targeted complex was monitored using UV-visible spectrophotometry and, according to XPS, the best control was achieved inside the channels of the mesoporous silica for the two-step route. For the solid prepared according to the one-step route, tethering of the complex occurred mainly at the entrance of the channel.

5. Infrared Multiple-Photon Dissociation spectroscopy of group II metal complexes with salicylate

SciTech Connect

Ryan P. Dain; Gary Gresham; Gary S. Groenewold; Jeffrey D. Steill; Jos Oomens; Michael J. van Stipdonk

2011-07-01

Ion-trap tandem mass spectrometry with collision-induced dissociation, and the combination of infrared multiple-photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations were used to characterize singly-charged, 1:1 complexes of Ca2+, Sr2+ and Ba2+ with salicylate. For each metal-salicylate complex, the CID pathways are: (a) elimination of CO2 and (b) formation of [MOH]+ where M=Ca2+, Sr2+ or Ba2+. DFT calculations predict three minima for the cation-salicylate complexes which differ in the mode of metal binding. In the first, the metal ion is coordinated by O atoms of the (neutral) phenol and carboxylate groups of salicylate. In the second, the cation is coordinated by phenoxide and (neutral) carboxylic acid groups. The third mode involves coordination by the carboxylate group alone. The infrared spectrum for the metal-salicylate complexes contains a number of absorptions between 1000 – 1650 cm-1, and the best correlation between theoretical and experimental spectra for the structure that features coordination of the metal ion by phenoxide and the carbonyl group of the carboxylic acid group, consistent with calculated energies for the respective species.

6. Effect of heavy metals on the stabilization of mercury(II) by DTCR in desulfurization solutions.

PubMed

Hou, Jiaai; Lu, Rongjie; Sun, Mingyang; Baig, Shams Ali; Tang, Tingmei; Cheng, Lihua; Xu, Xinhua

2012-05-30

Several heavy metals, including Cu(2+), Ni(2+), Pb(2+), and Zn(2+), were investigated in simulated desulfurization solutions to evaluate their interferences with Hg(2+) during the reaction with dithiocarbamate type chelating resin (DTCR). Appropriate DTCR dosage and the effect of pH were also explored with respect to restoration of high Hg(2+) precipitation efficiency and reduction of mercury concentrations. The experimental results suggested that increasing heavy metal concentration inhibited Hg(2+) precipitation efficiency to a considerable extent and the inhibition order of the four heavy metals was Cu(2+)>Ni(2+)>Pb(2+)>Zn(2+). However, the coordination ability was closely related to the configuration and the orbital hybridization of each metal. In the cases of Cu(2+) and Pb(2+), increased DTCR dosage was beneficial to Hg(2+) precipitation, which could lay the foundation of practical applications of DTCR dosage for industrial wastewater treatment. The enhanced Hg(2+) precipitation performance seen for increasing pH might have come from the deprotonation of sulfur atoms on the DTCR functional groups and the formation of metal hydroxides (M(OH)(2), M=Cu, Pb, Hg).

7. Iron metal production in silicate melts through the direct reduction of Fe/II/ by Ti/III/, Cr/II/, and Eu/II/. [in lunar basalts

NASA Technical Reports Server (NTRS)

Schreiber, H. D.; Balazs, G. B.; Shaffer, A. P.; Jamison, P. L.

1982-01-01

The production of metallic iron in silicate melts by chemical reactions of Ti(3+), Cr(2+), and Eu(2+) with Fe(2+) is demonstrated under experimental conditions in a simplified basaltic liquid. These reactions form a basis for interpreting the role of isochemical valency exchange models in explanations for the reduced nature of lunar basalts. The redox couples are individually investigated in the silicate melt to ascertain reference redox ratios that are independent of mutual interactions. These studies also provide calibrations of spectral absorptions of the Fe(2+) and Ti(2+) species in these glasses. Subsequent spectrophotometric analyses of Fe(2+) and Ti(2+) in glasses doped with both iron and titanium and of Fe(2+) in glasses doped with either iron and chromium or iron and europium ascertain the degree of mutual interactions in these dual-doped glasses.

8. Influence of group II metals on Radium-226 concentration ratios in the native green plum (Buchanania obovata) from the Alligator Rivers Region, Northern Territory, Australia.

PubMed

Medley, Peter; Bollhöfer, Andreas

2016-01-01

In this study, uptake of Ra from soil, and the influence of group II metals on Ra uptake, into the stones and edible flesh of the fruit of the wild green plum, Buchanania obovata, was investigated. Selective extraction of the exchangeable fraction of the soil samples was undertaken but was not shown to more reliably predict Ra uptake than total soil Ra activity concentration. Comparison of the group II metal to Ca ratios (i.e. Sr/Ca, Ba/Ca, Ra/Ca) in the flesh with exchangeable Ca shows that Ca outcompetes group II metals for root uptake and that the uptake pathway discriminated against group II metals relative to ionic radius, with uptake of Ca > Sr > Ba > Ra. Flesh and stone analysis showed that movement of group II metals to these components of the plant, after root uptake, was strongly related. This supports the hypothesis that Sr, Ba and Ra are being taken up as analogue elements, and follow the same uptake and translocation pathways, with Ca. Comparison with previously reported data from a native passion fruit supports the use of total soil CRs on natural, undisturbed sites. As exchangeable CRs for Ra reach a saturation value it may be possible to make more precise predictions using selective extraction techniques for contaminated or disturbed sites.

9. Metallicity of the Intergalactic Medium Using Pixel Statistics. II. The Distribution of Metals as Traced by C IV

Schaye, Joop; Aguirre, Anthony; Kim, Tae-Sun; Theuns, Tom; Rauch, Michael; Sargent, Wallace L. W.

2003-10-01

We measure the distribution of carbon in the intergalactic medium as a function of redshift z and overdensity δ. Using a hydrodynamical simulation to link the H I absorption to the density and temperature of the absorbing gas, and a model for the UV background radiation, we convert ratios of C IV to H I pixel optical depths into carbon abundances. For the median metallicity this technique was described and tested in Paper I of this series. Here we generalize it to reconstruct the full probability distribution of the carbon abundance and apply it to 19 high-quality quasar absorption spectra. We find that the carbon abundance is spatially highly inhomogeneous and is well described by a lognormal distribution for fixed δ and z. Using data in the range logδ=-0.5-1.8 and z=1.8-4.1, and a renormalized version of the 2001 Haardt & Madau model for the UV background radiation from galaxies and quasars, we measure a median metallicity of [C/H]=-3.47+0.07-0.06+0.08+0.09-0.10(z-3)+0.65+0.10-0.14(logδ-0.5) and a lognormal scatter of σ([C/H])=0.76+0.05-0.08+0.02+0.08-0.12(z-3)-0.23+0.09-0.07(logδ-0.5). Thus, we find significant trends with overdensity but no evidence for evolution. These measurements imply that gas in this density range accounts for a cosmic carbon abundance of [C/H]=-2.80+/-0.13 (ΩC~2×10-7), with no evidence for evolution. The dominant source of systematic error is the spectral shape of the UV background, with harder spectra yielding higher carbon abundances. While the systematic errors due to uncertainties in the spectral hardness may exceed the quoted statistical errors for δ<10, we stress that UV backgrounds that differ significantly from our fiducial model give unphysical results. The measured lognormal scatter is strictly independent of the spectral shape, provided the background radiation is uniform. We also present measurements of the C III/C IV ratio (which rule out temperatures high enough for collisional ionization to be important for the

10. Ecological Risk Assessment of a Metal-Contaminated Area in the Tropics. Tier II: Detailed Assessment.

PubMed

Niemeyer, Júlia Carina; Moreira-Santos, Matilde; Ribeiro, Rui; Rutgers, Michiel; Nogueira, Marco Antonio; da Silva, Eduardo Mendes; Sousa, José Paulo

2015-01-01

This study presents data on the detailed evaluation (tier 2) of a site-specific ecological risk assessment (ssERA) in a former smelter area contaminated with metals (Santo Amaro, Bahia, Brazil). Combining information from three lines of evidence (LoE), chemical (ChemLoE), ecotoxicological (EcotoxLoE) and ecological (EcoLoE), in the Triad approach, integrated risk values were calculated to rank sites and confirm the potential risk disclosed with tier 1. Risk values were calculated for the habitat and for the retention functions in each sampling point. Habitat function included the ChemLoE calculated from total metal concentrations. The EcotoxLoE was based on reproduction tests with terrestrial invertebrates (Folsomia candida, Enchytraeus crypticus, Eisenia andrei), shoot length and plant biomass (Avena sativa, Brassica rapa). For the EcoLoE, ecological parameters (microbial parameters, soil invertebrate community, litter breakdown) were used to derive risk values. Retention function included the ChemLoE, calculated from extractable metal concentrations, and the EcotoxLoE based on eluate tests with aquatic organisms (Daphnia magna reproduction and Pseudokirchneriella subcapitata growth). Results related to the habitat function indicated that the metal residues are sufficient to cause risk to biota, while the low metal levels in extracts and the general lack of toxicity in aquatic tests indicated a high soil retention capacity in most sampling points. Integrated risk of tier 2 showed the same trend of tier 1, suggesting the need to proceed with remediation actions. The high risk levels were related to direct toxicity to organisms and indirect effects, such as failure in the establishment of vegetation and the consequent loss of habitat quality for microorganisms and soil fauna. This study shed some light on the selection of tools for the tier 2 of an ssERA in tropical metal-contaminated sites, focusing on ecological receptors at risk and using available chemical

11. Ecological Risk Assessment of a Metal-Contaminated Area in the Tropics. Tier II: Detailed Assessment

PubMed Central

Niemeyer, Júlia Carina; Moreira-Santos, Matilde; Ribeiro, Rui; Rutgers, Michiel; Nogueira, Marco Antonio; da Silva, Eduardo Mendes; Sousa, José Paulo

2015-01-01

This study presents data on the detailed evaluation (tier 2) of a site-specific ecological risk assessment (ssERA) in a former smelter area contaminated with metals (Santo Amaro, Bahia, Brazil). Combining information from three lines of evidence (LoE), chemical (ChemLoE), ecotoxicological (EcotoxLoE) and ecological (EcoLoE), in the Triad approach, integrated risk values were calculated to rank sites and confirm the potential risk disclosed with tier 1. Risk values were calculated for the habitat and for the retention functions in each sampling point. Habitat function included the ChemLoE calculated from total metal concentrations. The EcotoxLoE was based on reproduction tests with terrestrial invertebrates (Folsomia candida, Enchytraeus crypticus, Eisenia andrei), shoot length and plant biomass (Avena sativa, Brassica rapa). For the EcoLoE, ecological parameters (microbial parameters, soil invertebrate community, litter breakdown) were used to derive risk values. Retention function included the ChemLoE, calculated from extractable metal concentrations, and the EcotoxLoE based on eluate tests with aquatic organisms (Daphnia magna reproduction and Pseudokirchneriella subcapitata growth). Results related to the habitat function indicated that the metal residues are sufficient to cause risk to biota, while the low metal levels in extracts and the general lack of toxicity in aquatic tests indicated a high soil retention capacity in most sampling points. Integrated risk of tier 2 showed the same trend of tier 1, suggesting the need to proceed with remediation actions. The high risk levels were related to direct toxicity to organisms and indirect effects, such as failure in the establishment of vegetation and the consequent loss of habitat quality for microorganisms and soil fauna. This study shed some light on the selection of tools for the tier 2 of an ssERA in tropical metal-contaminated sites, focusing on ecological receptors at risk and using available chemical

12. Sonochemical synthesis and structural determination of novel the nano-card house Cu(II) metal-organic coordination system.

PubMed

Mojtabazade, Faeze; Mirtamizdoust, Babak; Morsali, Ali; Talemi, Pejman

2017-03-01

A sonochemical method by using various time and concentrations of initial reagents and power of irradiation, was used to synthesize nano-card house of a new copper(II) metal-organic coordination system, {[Cu2(p-2yeinh)2Cl2]·(H2O)}n (1), where p-2yeinh=pyridin-2-yl ethylidene-isonicotinohydrazide. The compound was characterized by scanning electron microscopy (SEM), elemental analysis, IR spectroscopy, X-ray powder diffraction (XPRD), and single crystal X-ray analysis. The X-ray structure revealed that the Cu(II) atom is coordinated by one oxygen and three nitrogen atoms from two p-2yeinh ligands and one chloride anion with a CuN3OCl donor set with square pyramid geometry. This arrangement produces a large quadric nuclear square ring composed of four square pyramid Cu(II) moieties linked together by two p-2yeinh units (M4L4). The adjacent frameworks connected by strong hydrogen bonding interactions of methanol molecules that interact together and with the rings and π-π interactions of adjacent aromatic rings of p-2yeinh and other weak interactions. Consequently, the labile interactions also allow the discrete structure to form a 3D metal-organic coordination network. CuO nanoparticles were obtained by thermolysis of 1 at 180°C with oleic acid as a surfactant. The average diameter of the nanoparticles was estimated by XPRD to be 38nm. The morphology and size of the prepared CuO nanoparticles were further studied using SEM.

13. Capture and polarization of positrons in a proposed NLC polarized positron source

SciTech Connect

Batygin, Yuri K

2003-05-28

A proposed NLC polarized positron source utilizes a 150 GeV electron beam passing through a helical undulator. The resulting flux of polarized photons is converted in a thin positron production target. Spin polarized positrons are captured using a high field flux concentrator followed by an accelerator section immersed in a solenoidal field. Positron tracking through the accelerating and focusing systems is done together with integration of spin precession. Optimization of the collection system is performed to insure high positron yield into the 6-dimensional acceptance of the subsequent pre-damping ring while keeping the high value of positron beam polarization.

14. Coordination of two high-affinity hexamer peptides to copper(II) and palladium(II) models of the peptide-metal chelation site on IMAC resins

SciTech Connect

Chen, Y.; Pasquinelli, R.; Ataai, M.; Koepsel, R.R.; Kortes, R.A.; Shepherd, R.E.

2000-03-20

The coordination of peptides Ser-Pro-His-His-Gly-Gly (SPHHGG) and (His){sub 6} (HHHHHH) to [Pd{sup II}(mida)(D{sub 2}O)] (mida{sup 2{minus}} = N-methyliminodiacetate) was studied by {sup 1}H NMR as model reactions for Cu{sup II}(iminodiacetate)-immobilized metal affinity chromatography (IMAC) sites. This is the first direct physical description of peptide coordination for IMAC. A three-site coordination is observed which involves the first, third, and fourth residues along the peptide chain. The presence of proline in position 2 of SPHHGG achieves the best molecular mechanics and bonding angles in the coordinated peptide and enhances the interaction of the serine amino nitrogen. Histidine coordination of H{sub 1}, H{sub 3}, and H{sub 4} of (His){sub 6} and H{sub 3} and H{sub 4} of SPHHGG was detected by {sup 1}H NMR contact shifts and H/D exchange of histidyl protons. The EPR spectra of SPHHGG and HHHHHH attached to the [Cu{sup II}(mida)] unit were obtained for additional modeling of IMAC sites. EPR parameters of the parent [Cu(mida)(H{sub 2}O){sub 2}] complex are representative: g{sub zz} = 2.31; g{sub yy} = 2.086; g{sub xx} = 2.053; A{sub {vert_bar}{vert_bar}} = 161 G; A{sub N} = 19G (three line, one N coupling). Increased rhombic distortion is detected relative to the starting aqua complex in the order of [Cu(mida)L] for distortion of HHHHHH > SPHHGG > (H{sub 2}O){sub 2}. The lowering of symmetry is also seen in the decrease in the N-shf coupling, presumably to the imino nitrogen of mida{sup 2{minus}} in the order 19 G (H{sub 2}O), 16 G (SPHHGG) and 11 G (HHHHHH). Visible spectra of the [Cu(mida)(SPHHGG)] and [Cu(mida)(HHHHHH)] as a function of pH indicate coordination of one histidyl donor at ca. 4.5, two in the range of pH 5--7, and two chelate ring attachments involving the terminal amino donor for SPHHGG or another histidyl donor of HHHHHH in the pH domain of 7--8 in agreement with the [Pd{sup II}(mida)L] derivatives which form the two

15. Subcellular compartmentalization of Cd and Zn in two bivalves. II. Significance of trophically available metal (TAM)

USGS Publications Warehouse

Wallace, W.G.; Luoma, S.N.

2003-01-01

This paper examines how the subcellular partitioning of Cd and Zn in the bivalves Macoma balthica and Potamocorbula amurensis may affect the trophic transfer of metal to predators. Results show that the partitioning of metals to organelles, 'enzymes' and metallothioneins (MT) comprise a subcellular compartment containing trophically available metal (TAM; i.e. metal trophically available to predators), and that because this partitioning varies with species, animal size and metal, TAM is similarly influenced. Clams from San Francisco Bay, California, were exposed for 14 d to 3.5 ??g 1-1 Cd and 20.5 ??g 1-1 Zn, including 109Cd and 65Zn as radiotracers, and were used in feeding experiments with grass shrimp Palaemon macrodatylus, or used to investigate the subcellular partitioning of metal. Grass shrimp fed Cd-contaminated P. amurensis absorbed ???60% of ingested Cd, which was in accordance with the partitioning of Cd to the bivalve's TAM compartment (i.e. Cd associated with organelles, 'enzymes' and MT); a similar relationship was found in previous studies with grass shrimp fed Cd-contaminated oligochaetes. Thus, TAM may be used as a tool to predict the trophic transfer of at least Cd. Subcellular fractionation revealed that ???34% of both the Cd and Zn accumulated by M. balthica was associated with TAM, while partitioning to TAM in P. amurensis was metal-dependent (???60% for TAM-Cd%, ???73% for TAM-Zn%). The greater TAM-Cd% of P. amurensis than M. balthica is due to preferential binding of Cd to MT and 'enzymes', while enhanced TAM-Zn% of P. amurensis results from a greater binding of Zn to organelles. TAM for most species-metal combinations was size-dependent, decreasing with increased clam size. Based on field data, it is estimated that of the 2 bivalves, P. amurensis poses the greater threat of Cd exposure to predators because of higher tissue concentrations and greater partitioning as TAM; exposure of Zn to predators would be similar between these species.

16. Structural and magnetic properties of layered copper(II) coordination polymers intercalating s and f metal ions.

PubMed

Navarro, Jorge A R; Barea, Elisa; Salas, Juan M; Masciocchi, Norberto; Galli, Simona; Sironi, Angelo

2007-04-16

The nanoporous coordination polymer [Cu(pyrimidin-2-olate-N1,N3)2]n (1C) of the sodalite zeotype sorbs a variety of metal nitrates [M(NO3)m, M = Na+, K+, Rb+, Tl+, Ca2+, Sr2+, Ba2+, Pb2+, La3+, Nd3+, Gd3+, Er3+] from H2O/MeOH solutions, with a concomitant structural change to a layered [Cu(pyrimidin-2-olate-N1,N3)2]n.[M(NO3)m]n/2 (MNO3@1L) coordination framework. Single-crystal X-ray diffraction analyses revealed that the layers are based on Cu4(pyrimidin-2-olate-N1,N3)4 square grids of copper(II) ions bridged by N1,N3 exobidentate ligands, displaying a structural motif of the metallacalix[4]arene type in pinched cone conformation. The interlayer space is occupied by the guest metal nitrates, each metal being coordinated by (at least) the four oxygen atoms of a metallacalix[4]arene. Magnetic measurements on the MNO3@1L series denoted a weak ferromagnetic ordering taking place below the Néel temperatures (typically close to 35 K), arising from spin-canting phenomena of the antiferromagnetically coupled copper centers. When M = Nd3+, Gd3+, or Er3+, additional magnetic ordering is observed at lower temperatures, which, on the basis of static and dynamic magnetic susceptibility measurements, can be attributed to copper- lanthanide interactions.

17. Positron confinement in embedded lithium nanoclusters

van Huis, M. A.; van Veen, A.; Schut, H.; Falub, C. V.; Eijt, S. W.; Mijnarends, P. E.; Kuriplach, J.

2002-02-01

Quantum confinement of positrons in nanoclusters offers the opportunity to obtain detailed information on the electronic structure of nanoclusters by application of positron annihilation spectroscopy techniques. In this work, positron confinement is investigated in lithium nanoclusters embedded in monocrystalline MgO. These nanoclusters were created by means of ion implantation and subsequent annealing. It was found from the results of Doppler broadening positron beam analysis that approximately 92% of the implanted positrons annihilate in lithium nanoclusters rather than in the embedding MgO, while the local fraction of lithium at the implantation depth is only 1.3 at. %. The results of two-dimensional angular correlation of annihilation radiation confirm the presence of crystalline bulk lithium. The confinement of positrons is ascribed to the difference in positron affinity between lithium and MgO. The nanocluster acts as a potential well for positrons, where the depth of the potential well is equal to the difference in the positron affinities of lithium and MgO. These affinities were calculated using the linear muffin-tin orbital atomic sphere approximation method. This yields a positronic potential step at the MgO||Li interface of 1.8 eV using the generalized gradient approximation and 2.8 eV using the insulator model.

18. Investigation of simultaneous biosorption of copper(II) and chromium(VI) on dried Chlorella vulgaris from binary metal mixtures: Application of multicomponent adsorption isotherms

SciTech Connect

Aksu, Z.; Acikel, U.; Kutsal, T.

1999-02-01

Although the biosorption of single metal ions to various kinds of microorganisms has been extensively studied and the adsorption isotherms have been developed for only the single metal ion situation, very little attention has been given to the bioremoval and expression of adsorption isotherms of multimetal ions systems. In this study the simultaneous biosorption of copper(II) and chromium(VI) to Chlorella vulgaris from a binary metal mixture was studied and compared with the single metal ion situation in a batch stirred system. The effects of pH and single- and dual-metal ion concentrations on the equilibrium uptakes were investigated. In previous studies the optimum biosorption pH had been determined as 4.0 for copper(II) and as 2.0 for chromium(VI). Multimetal ion biosorption studies were performed at these two pH values. It was observed that the equilibrium uptakes of copper(II) or chromium(VI) ions were changed due to the biosorption pH and the presence of other metal ions. Adsorption isotherms were developed for both single- and dual-metal ions systems at these two pH values, and expressed by the mono- and multicomponent Langmuir and Freundlich adsorption models. Model parameters were estimated by nonlinear regression. It was seen that the adsorption equilibrium data fitted very well to the competitive Freundlich model in the concentration ranges studied.

19. Intervening Metal Systems in GRB and QSO Sight Lines: The Mg II and C IV Question

Sudilovsky, Vladimir; Savaglio, Sandra; Vreeswijk, Paul; Ledoux, Cédric; Smette, Alain; Greiner, Jochen

2007-11-01

Prochter and coworkers recently found that the number density of strong intervening 0.5II absorbers detected in gamma-ray burst (GRB) afterglow spectra is nearly 4 times larger than those in QSO spectra. We have conducted a similar study using C IV absorbers. Our C IV sample, consisting of a total of 19 systems, is drawn from three high-resolution and high to moderate signal-to-noise ratio VLT UVES spectra of three long-duration GRB afterglows, covering the redshift interval 1.6II absorbers and conclude that a higher dust extinction in the Mg II QSO samples studied up to now would give the most straightforward solution. However, this effect is only important for the strong Mg II absorbers. Regardless of the reasons for this discrepancy, this result confirms once more that GRBs can be used to detect a side of the universe that was unknown before, not necessarily connected with GRBs themselves, providing an alternative and fundamental investigative tool of the cosmic evolution of the universe. Based on observations collected at the European Southern Observatory, Chile; proposals 75.A-0385, 75.A-0603, and 77.D-0661.

20. Abundance correlations in mildly metal-poor stars. II. Light elements (C to Ca)

Decauwer, H.; Jehin, E.; Parmentier, G.; Magain, P.

2005-04-01

Accurate relative abundances have been obtained for carbon, oxygen, sodium, aluminium, silicon, and calcium in a sample of mildly metal-poor stars. This analysis complements a previous study carried out by Jehin et al. ([CITE], A&A, 341, 241), which provided the basis for the EASE scenario. This scenario postulates that field metal-poor stars were born in self-enriched proto-globular cluster clouds. By further investigating the correlations between the different α-element abundances, we propose a modified scenario for the formation of intermediate metallicity stars, in which the stars exhibiting lower than average α/Fe abundance ratios would form in low mass clouds, unable to sustain the formation of very massive stars (M ⪆ 30~M_⊙). Moreover, the carbon-to-iron ratio is found to decrease as one climbs the so-called Population IIb branch, i.e. when the s-element abundance increases. In the framework of the EASE scenario, we interpret this anticorrelation between the carbon and the s-element abundances as a signature of a hot bottom burning process in the metal-poor AGB stars which expelled the matter subsequently accreted by our Population IIb stars. Based on observations collected at the European Southern Observatory, La Silla, Chile (ESO Programmes 56.E-0384, 57.E-0400 and 59.E-0257).

1. Low-metallicity Star Formation and Pop III-II Transition

Omukai, Kazuyuki

2010-10-01

The first stars in the universe were typically very massive, but those near us are not. The metallicity in the star-forming gas is thought to have played a key role in this transition of characteristic stellar mass scale. By studying the evolution of low-metallicity star-forming clouds up to the formation of protostars by way of radiation hydrodynamics with spherical symmetry, we discuss their fragmentation mass scales. The critical metallicity for low-mass fragmentation is in the range of Zcr = 10-6-10-5Zsolar. Although the exact value is still unknown due to uncertain dust nature in the early universe, the small value of Zcr means that low-mass star formation begun just after the first episode of metal enrichment. We also evaluate the upper limit on the stellar mass by the stellar feedback. Owing to the higher density in the envelope and thus higher protostellar accretion rate, the upper limit of stellar mass increases toward lower matallicity.

2. [Studies on the mechanism of the interaction between hydrazide-podophyllic Ni(II), Co(II), Zn(II) metal complexes and DNA].

PubMed

Wang, Ping-Hong; Zhang, Qi; Yuan, Wen-Bing; Wang, Liu-Fang; Song, Yu-Min; Liu, Hui-Hong

2006-07-01

The mechanism of the interaction between hydrazide-podophyllic (HDPP) metal (Me) complexes and calf thymus (ct) DNA in Tris buffer (pH 7.08) was studied by viscosity measurements, electronic absorption, gel electrophoresis, and ethidium bromide (EB) fluorescence spectroscopy. The results from varied experiments show that the intensity of the maximal absorption peaks from absorption spectra is weakened in the presence of DNA compared with that in the absence of DNA. Meanwhile, DNA can remarkably quench the emission intensity of the complex Me-HDPP system. The Me-HDPP complexes can increase the viscosity of ct DNA slightly and catalyze the cleavage of super coiled pBR322 DNA to the nicked form. The complexes of Ni-HDPP and Co-HDPP can be bound to ct DNA mainly by interaction, while the partial interaction of Zn-HDPP and ct DNA is the major modes. The binding constant of Me-HDPP complexes with ct DNA was determined.

3. Bruno Touschek: From Betatrons to Electron-Positron Colliders

Bernardini, Carlo; Pancheri, Giulia; Pellegrini, Claudio

Bruno Touschek's life as a physicist spanned the period from World War II to the 1970s. He was a key figure in the developments of electron-positron colliders and storage rings, and made important contributions to theoretical high energy physics. Storage rings, initially developed for high energy physics, are being widely used in many countries as synchrotron radiation sources and are a tool for research in physics, chemistry, biology, environmental sciences and cultural heritage studies. We describe Touschek's life in Austria, where he was born, in Germany, where he participated in the construction of a betatron during WWII, and in Italy, where he proposed and led to completion the first electron-positron storage ring in 1960, in Frascati. We highlight how his central European culture influenced his lifestyle and work, and his main contributions to physics, such as the discovery of the Touschek effect and beam instabilities in the larger storage ring ADONE.

4. Bruno Touschek: From Betatrons to Electron-Positron Colliders

Bernardini, Carlo; Pancheri, Giulia; Pellegrini, Claudio

Bruno Touschek’s life as a physicist spanned the period from World War II to the 1970s. He was a key figure in the developments of electron-positron colliders and storage rings, and made important contributions to theoretical high energy physics. Storage rings, initially developed for high energy physics, are being widely used in many countries as synchrotron radiation sources and are a tool for research in physics, chemistry, biology, environmental sciences and cultural heritage studies. We describe Touschek’s life in Austria, where he was born, in Germany, where he participated in the construction of a betatron during WWII, and in Italy, where he proposed and led to completion the first electron-positron storage ring in 1960, in Frascati. We highlight how his central European culture influenced his lifestyle and work, and his main contributions to physics, such as the discovery of the Touschek effect and beam instabilities in the larger storage ring ADONE.

5. Positron-annihilation 2D-ACAR studies of disordered and defected alloys

SciTech Connect

Bansil, A.; Prasad, R.; Smedskjaer, L.C.; Benedek, R.; Mijnarends, P.E.

1987-09-01

Theoretical and experimental progess in connection with 2D-ACAR positron annihilation studies of ordered, disordered, and defected alloys is discussed. We present, in particular, some of the recent developments concerning the electronic structure of disordered alloys, and the work in the area of annihilation from positrons trapped at vacancy-type defects in metals and alloys. The electronic structure and properties of a number of compounds are also discussed briefly; we comment specifically on high T/sub c/ ceramic superconductors, Heusler alloys, and transition-metal aluminides. 58 refs., 116 figs.

6. Detection of metal residues on bone using SEM-EDS--part II: Sharp force injury.

PubMed

Gibelli, D; Mazzarelli, D; Porta, D; Rizzi, A; Cattaneo, C

2012-11-30

Scanning electron microscopy coupled with X-ray energy dispersive spectrometry (SEM-EDS) is extensively seen in the literature for the improvement of the macroscopic analysis of sharp lesions, but very few indications concerning its real potential in the forensic context, particularly in forensic anthropology, are at the moment available. This paper represents a pilot study for the analysis of the behaviour of metallic residues found on bone after sharp force injury. Fourteen lesions were made on human bone (radius), cleaned of all soft tissues, with seven different sharp tools (three metal instruments, three metal saws and a baked-clay knife). Tools and lesions underwent SEM-EDS. From 3 to 18 particles were detected on each lesion, whose diameter was included between 0.5 and 150 μm. In 58% of cases, particle composition was concordant with the instrument used. The results seem to suggest that sharp force injury frequently leaves relatively few residues on bone, particularly in the case of common types of metal. Saws showed slightly more contamination with other residues than knives, which may be explained by the capability of the saw's teeth to retain the residues of previously encountered material. In addition, metal residues related to the tool used to cut the bone were located on the edges/walls of lesions in the case of saw marks, whereas they were more frequently found on the kerf floor in the case of knives/scissors, with the exception of the baked clay knife which when it leaves residues at all, seemed to leave them equally divided between the floor, the edges and the surrounding bone.

7. Spectral, mechanical, thermal, optical and solid state parameters, of metal-organic bis(hydrogenmaleate)-CO(II) tetrahydrate crystal

SciTech Connect

Chandran, Senthilkumar; Jagan, R.; Paulraj, Rajesh; Ramasamy, P.

2015-10-15

Metal-organic bis(hydrogenmaleate)-Co(II) tetrahydrate single crystals have been grown by slow evaporation solution growth technique at room temperature. The crystal structure and the unit cell parameters were analyzed from the X-ray diffraction studies. Single-crystal X-ray diffraction analyses reveal that the grown crystal belongs to triclinic system with the space group P-1. Functional groups in bis(hydrogenmaleate)-Co(II) tetrahydrate were identified by Fourier transform infrared spectral analysis. The peak observed at 663 cm{sup −1} is assigned to the (Co–O) stretching vibrations. The optical transmission of the crystal was studied by UV–vis–NIR spectral analysis. The photoluminescence emission studies were carried out for the title compound in a wide wavelength range between 350 nm and 550 nm at 303 K. Mechanical strength was tested by Vickers microhardness test. The laser damage threshold value has been determined using Nd:YAG laser operating at 1064 nm. At various frequencies and temperatures the dielectric behavior of the material was investigated. Solid state parameters such as plasma energy, Penn gap, Fermi energy and electronic polarizability were evaluated. Photoconductivity measurements were carried out for the grown crystal in the presence of DC electric field at room temperature. Thermal stability and decomposition of the crystal were studied by TG–DTA. The weight loss of the title compound occurs in different steps. - Graphical abstract: Molecular structure of the bis(hydrogenmaleate)-Co(II) tetrahydrate drawn at 40% ellipsoid probability level. - Highlights: • Bis(hydrogenmaleate)-Co(II) tetrahydrate single crystal is grown by slow evaporation method. • Structural and optical properties were discussed. • The title complex crystal is thermally stable up to 91 °C. • Plasma energy, Fermi energy and electronic polarizability are evaluated. • It exhibits positive photoconductivity.

8. High-resolution spectroscopy of extremely metal-poor stars from SDSS/Segue. II. Binary fraction

SciTech Connect

Aoki, Wako; Suda, Takuma; Beers, Timothy C.; Honda, Satoshi E-mail: takuma.suda@nao.ac.jp E-mail: honda@nhao.jp

2015-02-01

The fraction of binary systems in various stellar populations of the Galaxy and the distribution of their orbital parameters are important but not well-determined factors in studies of star formation, stellar evolution, and Galactic chemical evolution. While observational studies have been carried out for a large sample of nearby stars, including some metal-poor Population II stars, almost no constraints on the binary nature for extremely metal-poor (EMP; [Fe/H] <−3.0) stars have yet been obtained. Here we investigate the fraction of double-lined spectroscopic binaries and carbon-enhanced metal-poor (CEMP) stars, many of which could have formed as pairs of low-mass and intermediate-mass stars, to estimate the lower limit of the fraction of binary systems having short periods. The estimate is based on a sample of very metal-poor stars selected from the Sloan Digital Sky Survey and observed at high spectral resolution in a previous study by Aoki et al. That survey reported 3 double-lined spectroscopic binaries and 11 CEMP stars, which we consider along with a sample of EMP stars from the literature compiled in the SAGA database. We have conducted measurements of the velocity components for stacked absorption features of different spectral lines for each double-lined spectroscopic binary. Our estimate indicates that the fraction of binary stars having orbital periods shorter than 1000 days is at least 10%, and possibly as high as 20% if the majority of CEMP stars are formed in such short-period binaries. This result suggests that the period distribution of EMP binary systems is biased toward short periods, unless the binary fraction of low-mass EMP stars is significantly higher than that of other nearby stars.

9. Synthesis and photodynamic activity of unsymmetrical A3B tetraarylporphyrins functionalized with l-glutamate and their Zn(II) and Cu(II) metal complex derivatives.

PubMed

Arredondo-Espinoza, Eder U; López-Cortina, Susana T; Ramírez-Cabrera, Mónica A; Balderas-Rentería, Isaías

2016-08-01

Four novel unsymmetrical A3B porphyrins 1, 2, 3 and 4 were synthesized following Lindsey procedure. Porphyrins 3 and 4 include one and three l-glutamate groups, respectively, and all porphyrins were metallated with Zn(II) (1a-4a) or Cu(II) (1b-4b). Porphyrins and metalloporphyrins presented values of singlet oxygen quantum yields (ΦD) ranging from 0.21 to 0.67. The tetraaryl derivatives in this study showed phototoxicity in SiHa cells with IC50 values ranging from <0.01 to 6.56±0.11μM, the metalloporphyrin 4a showed the lowest IC50 value. Comparing the phototoxic activity between all porphyrins, functionalization of porphyrins with glutamate increased 100 times phototoxic activity (1 (IC50 4.81±0.34μM) vs. 3 (IC50 0.04±0.02μM) and 2 (IC50 5.19±0.42μM) vs. 4 (IC50 0.05±0.01μM)). This increased activity could be attributed to reduced hydrophobicity and increased ΦΔ, given by functionalization with l-glutamate. Metalloporphyrins 3a (IC50 0.04±0.01μM) and 4a (IC50<0.01μM) presented the best values ​​of phototoxic activity. Therefore, functionalization and zinc metalation increased the phototoxic activity. SiHa cells treated with porphyrins 3, 4, 3a and 4a at a final concentration of 10μM, showed increased activity of caspase-3 enzyme compared to the negative control; indicating the induction of apoptosis. Differential gene expression pattern in SiHa cells was determined; treatments with metalloporphyrins 4a and 4b were performed, respectively, comparing the expression with untreated control. Treatments in both cases showed similar gene expression pattern in upregulated genes, since they share about 25 biological pathways and a large number of genes. According to the new photophysical properties related to the structural improvement and phototoxic activity, these molecules may have the potential application as photosensitizers in the photodynamic therapy.

10. Nonplanar positron-acoustic Gardner solitary waves in electron-positron-ion plasmas with superthermal electrons and positrons

Uddin, M. J.; Alam, M. S.; Mamun, A. A.

2015-02-01

Nonplanar (cylindrical and spherical) positron-acoustic (PA) Gardner solitary waves (SWs) in an unmagnetized plasma system consisting of immobile positive ions, mobile cold positrons, and superthermal (kappa distributed) hot positrons and electrons are investigated. The modified Gardner equation is derived by using the reductive perturbation technique. The effects of cylindrical and spherical geometries, superthermal parameter of hot positrons and electrons, relative temperature ratios, and relative number density ratios on the PA Gardner SWs are studied by using the numerical simulations. The implications of our results in various space and laboratory plasma environments are briefly discussed.

11. Nonplanar positron-acoustic Gardner solitary waves in electron-positron-ion plasmas with superthermal electrons and positrons

SciTech Connect

Uddin, M. J. Alam, M. S.; Mamun, A. A.

2015-02-15

Nonplanar (cylindrical and spherical) positron-acoustic (PA) Gardner solitary waves (SWs) in an unmagnetized plasma system consisting of immobile positive ions, mobile cold positrons, and superthermal (kappa distributed) hot positrons and electrons are investigated. The modified Gardner equation is derived by using the reductive perturbation technique. The effects of cylindrical and spherical geometries, superthermal parameter of hot positrons and electrons, relative temperature ratios, and relative number density ratios on the PA Gardner SWs are studied by using the numerical simulations. The implications of our results in various space and laboratory plasma environments are briefly discussed.

12. Positron annihilation induced Auger electron spectroscopy

NASA Technical Reports Server (NTRS)

Weiss, Alex; Koymen, A. R.; Mehl, David; Jensen, K. O.; Lei, Chun; Lee, K. H.

1990-01-01

Recently, Weiss et al. have demonstrated that it is possible to excite Auger transitions by annihilating core electrons using a low energy (less than 30eV) beam of positrons. This mechanism makes possible a new electron spectroscopy, Positron annihilation induced Auger Electron Spectroscopy (PAES). The probability of exciting an Auger transition is proportional to the overlap of the positron wavefunction with atomic core levels. Since the Auger electron energy provides a signature of the atomic species making the transition, PAES makes it possible to determine the overlap of the positron wavefunction with a particular element. PAES may therefore provide a means of detecting positron-atom complexes. Measurements of PAES intensities from clean and adsorbate covered Cu surfaces are presented which indicate that approx. 5 percent of positrons injected into CU at 25eV produce core annihilations that result in Auger transitions.

13. Positron annihilation in the interstellar medium

NASA Technical Reports Server (NTRS)

Guessoum, Nidhal; Ramaty, Reuven; Lingenfelter, Richard E.

1991-01-01

Positronium formation and annihilation are studied in a model for the interstellar medium consisting of cold cloud cores, warm partially ionized cloud envelopes, and hot intercloud gas. The gamma-ray spectra resulting from positron annihilation in these components of the interstellar medium are calculated. The spectra from the individual components are then combined, using two limiting assumptions for the propagation of the positrons, namely, that the positrons propagate freely throughout the interstellar medium, and that the positrons are excluded from the cold cloud cores. In the first case, the bulk of the positrons annihilate in the cloud cores and the annihilation line exhibits broad wings resulting from the annihilation of positronium formed by charge exchange in flight. In the second case, the positrons annihilate mainly in the warm envelopes, and the line wings are suppressed.

14. Metallation of ethylenediamine based Schiff base with biologically active Cu(II), Ni(II) and Zn(II) ions: synthesis, spectroscopic characterization, electrochemical behaviour, DNA binding, photonuclease activity and in vitro antimicrobial efficacy.

PubMed

Raman, N; Selvan, A; Sudharsan, S

2011-09-01

A new ligand [C28H20N6O8] (L2) has been synthesized by the condensation reaction of 3-hydroxy-4-nitrobenzaldehydenephenylhydrazine (L1) with diethyloxalate. This ligand L2 is allowed to react with bis(ethylenediamine)Cu(II)/Ni(II)/Zn(II) complexes. It affords [(L2)Cu(en)2]Cl2(1)/[(L2)Ni(en)2]Cl2(2)/[(L2)Zn(en)2]Cl2(3) complexes, respectively. These complexes (1-3) have been characterized by the spectral and analytical techniques. The interaction of these complexes with calf thymus (CT) DNA is characterized by the absorption spectra which exhibit a slight red shift with hypochromic effect. Electrochemical analyses and viscosity measurements have also been carried out to determine the mode of binding. The shift in ΔEp, E1/2 and Ipc values explores the interaction of CT DNA with the above metal complexes. The slight increase in the viscosity of CT DNA indicates that these complexes bind to CT DNA through a partial non-classical intercalative mode. Cleavage experiments using pBR322 DNA in presence of H2O2 indicate that these complexes behave as efficient artificial chemical nucleases in the order of 1>2>3. Moreover, the antibacterial and antifungal studies reveal that complex 1 is highly active against the bacterial and fungal growth.

15. Perylenetetracarboxylic-metal assemblies and anisotropic charge transport in a CuII assembly

Bai, Linyi; Xia, Youyi; Jana, Avijit; Ang, Chung Yen; Zhao, Lingzhi; Fan, Zhi; Zhao, Yanli

2016-04-01

Structural diversity and uniformity of nanomaterials are usually prerequisites for many practical applications involving the oriented fabrication of various devices with full control over their desired physiochemical properties. Particularly in the optoelectronic field, ordered assembly inside cells is required not only for obtaining attractive configurations but also for playing an important role in the characteristics of photoconduction and conductivity. Here, we present a synergetic self-assembly driven by coordination and intermolecular interactions for the construction of organic-inorganic hybrids with multi-morphologies and tunable physical properties. 3,4,9,10-Perylenetetracarboxylic dianhydride was treated with base to produce various assemblies by coordination with metal ions, showing morphologies of nanowires, nanosheets, nanoribbons and nanorods. The organic π-spacer affords an extension in different directions through the suitable incorporation of metal ions with different coordination modes for the formation of metal-ligand complexes. Interestingly, the obtained nanorods were twisted rods with obvious screw threads on the rod wall, supporting the synergetic self-assembly. Then, anisotropic mobility measurements of the obtained Cu2+-ligand assembly were carried out to show the importance of the size- and shape-confined synthesis of the hybrids. By presenting a series of ordered metal-ligand complex superstructures driven by synergetic self-assembly, this work is expected to pave the way for future anisotropic measurements of complex assemblies.Structural diversity and uniformity of nanomaterials are usually prerequisites for many practical applications involving the oriented fabrication of various devices with full control over their desired physiochemical properties. Particularly in the optoelectronic field, ordered assembly inside cells is required not only for obtaining attractive configurations but also for playing an important role in the

16. Analysis of metal-matrix composite structures. I - Micromechanics constitutive theory. II - Laminate analyses

NASA Technical Reports Server (NTRS)

Arenburg, R. T.; Reddy, J. N.

1991-01-01

The micromechanical constitutive theory is used to examine the nonlinear behavior of continuous-fiber-reinforced metal-matrix composite structures. Effective lamina constitutive relations based on the Abouli micromechanics theory are presented. The inelastic matrix behavior is modeled by the unified viscoplasticity theory of Bodner and Partom. The laminate constitutive relations are incorporated into a first-order deformation plate theory. The resulting boundary value problem is solved by utilizing the finite element method. Attention is also given to computational aspects of the numerical solution, including the temporal integration of the inelastic strains and the spatial integration of bending moments. Numerical results the nonlinear response of metal matrix composites subjected to extensional and bending loads are presented.

17. Palladium(II)-catalyzed direct alkoxylation of arenes: evidence for solvent-assisted concerted metalation deprotonation.

PubMed

Anand, Megha; Sunoj, Raghavan B

2011-09-16

Density functional theory investigations on the mechanism of palladium acetate catalyzed direct alkoxylation of N-methoxybenzamide in methanol reveal that the key steps involve solvent-assisted N-H as well as C-H bond activations. The transition state for the critical palladium-carbon bond formation through a concerted metalation deprotonation (CMD) process leading to a palladacycle intermediate has been found to be more stable in the methanol-assisted pathway as compared to an unassisted route.

18. Bright Metal-Poor Stars from the Hamburg/ESO Survey. II. A Chemodynamical Analysis

Beers, Timothy C.; Placco, Vinicius M.; Carollo, Daniela; Rossi, Silvia; Lee, Young Sun; Frebel, Anna; Norris, John E.; Dietz, Sarah; Masseron, Thomas

2017-01-01

We obtain estimates of stellar atmospheric parameters for a previously published sample of 1777 relatively bright (9< B< 14) metal-poor candidates from the Hamburg/ESO Survey. The original Frebel et al. analysis of these stars was able to derive estimates of [Fe/H] and [C/Fe] only for a subset of the sample, due to limitations in the methodology then available. A new spectroscopic analysis pipeline has been used to obtain estimates of {T}{eff}, {log} g, [Fe/H], and [C/Fe] for almost the entire data set. This sample is very local—about 90% of the stars are located within 0.5 kpc of the Sun. We consider the chemodynamical properties of these stars in concert with a similarly local sample of stars from a recent analysis of the Bidelman and MacConnell “weak metal” candidates by Beers et al. We use this combined sample to identify possible members of the halo stream of stars suggested by Helmi et al. and Chiba & Beers, as well as stars that may be associated with stripped debris from the putative parent dwarf of the globular cluster Omega Centauri, suggested to exist by previous authors. We identify a clear increase in the cumulative frequency of carbon-enhanced metal-poor (CEMP) stars with declining metallicity, as well as an increase in the fraction of CEMP stars with distance from the Galactic plane, consistent with previous results. We also identify a relatively large number of CEMP stars with kinematics consistent with the metal-weak thick-disk population, with possible implications for its origin.

19. Metallic nanoparticles and their medicinal potential. Part II: aluminosilicates, nanobiomagnets, quantum dots and cochleates.

PubMed

Loomba, Leena; Scarabelli, Tiziano

2013-09-01

Metallic miniaturization techniques have taken metals to nanoscale size where they can display fascinating properties and their potential applications in medicine. In recent years, metal nanoparticles such as aluminium, silicon, iron, cadmium, selenium, indium and calcium, which find their presence in aluminosilicates, nanobiomagnets, quantum dots (Q-dots) and cochleates, have caught attention of medical industries. The increasing impact of metallic nanoparticles in life sciences has significantly advanced the production techniques for these nanoparticles. In this Review, the various methods for the synthesis of nanoparticles are outlined, followed by their physicochemical properties, some recent applications in wound healing, diagnostic imaging, biosensing, assay labeling, antimicrobial activity, cancer therapy and drug delivery are listed, and finally their toxicological impacts are revised. The first half of this article describes the medicinal uses of two noble nanoparticles - gold and silver. This Review provides further information on the ability of aluminum, silicon, iron, selenium, indium, calcium and zinc to be used as nanoparticles in biomedical sciences. Aluminosilicates find their utility in wound healing and antibacterial growth. Iron-oxide nanoparticles enhance the properties of MRI contrast agents and are also used as biomagnets. Cadmium, selenium, tellurium and indium form the core nanostructures of tiny Q-dots used in cellular assay labeling, high-resolution cell imaging and biosensing. Cochleates have the bivalent nano ions calcium, magnesium or zinc imbedded in their structures and are considered to be highly effective agents for drug and gene delivery. The aluminosilicates, nanobiomagnets, Q-dots and cochleates are discussed in the light of their properties, synthesis and utility.

20. Crystal structure of nonadentate tricompartmental ligand derived from pyridine-2,6-dicarboxylic acid: Spectroscopic, electrochemical and thermal investigations of its transition metal(II) complexes

Vadavi, Ramesh S.; Shenoy, Rashmi V.; Badiger, Dayananda S.; Gudasi, Kalagouda B.; Devi, L. Gomathi; Nethaji, Munirathinam

2011-07-01

The coordinating behavior of a new dihydrazone ligand, 2,6-bis[(3-methoxysalicylidene)hydrazinocarbonyl]pyridine towards manganese(II), cobalt(II), nickel(II), copper(II), zinc(II) and cadmium(II) has been described. The metal complexes were characterized by magnetic moments, conductivity measurements, spectral (IR, NMR, UV-Vis, FAB-Mass and EPR) and thermal studies. The ligand crystallizes in triclinic system, space group P-1, with α = 98.491(10)°, β = 110.820(10)° and γ = 92.228(10)°. The cell dimensions are a = 10.196(7) Å, b = 10.814(7) Å, c = 10.017(7) Å, Z = 2 and V = 1117.4(12). IR spectral studies reveal the nonadentate behavior of the ligand. All the complexes are neutral in nature and possess six-coordinate geometry around each metal center. The X-band EPR spectra of copper(II) complex at both room temperature and liquid nitrogen temperature showed unresolved broad signals with giso = 2.106. Cyclic voltametric studies of copper(II) complex at different scan rates reveal that all the reaction occurring are irreversible.

1. Application of zeolite prepared from Egyptian kaolin for the removal of heavy metals: II. Isotherm models.

PubMed

Ibrahim, Hanan S; Jamil, Tarek S; Hegazy, Eman Z

2010-10-15

In this study, the adsorption behavior of zeolites A and X, which are prepared from very cheap local Egyptian clay (kaolin), with respect to Cu(2+), Cd(+2), Cr(+2), Ni(+2) and Zn(2+) has been studied. The batch method has been employed, using metal solutions ranging from 100 to 400 mg/L. The distribution coefficients (K(d)) and adsorption percent were determined for the adsorption system as a function of sorbate concentration. In the uptake evaluation part of the study, adsorption ratios of metal cations on zeolites A and X match to Langmuir, Freundlich, and Dubinin-Kaganer-Radushkevich (DKR) adsorption isotherm data. Also, every cation exchange capacity for metals has been calculated. According to the equilibrium studies, the selectivity sequence can be given as Pb(2+)>Cd(2+)>Cu(2+)>Zn(2+)>Ni(2+). It was found that the uptake depend on hydrated ion diameter. This study may attract more interest due to the presence of large reservoirs of very cheap kaolin in Egypt from which both zeolite types were prepared.

2. Pollutants in harp seals (Phoca groenlandica). II. Heavy metals and selenium.

PubMed

Ronald, K; Frank, R J; Dougan, J; Frank, R; Braun, H E

1984-09-01

Between 1976 and 1978, 249 harp seals were sampled from five locations in the Northwest Atlantic and Arctic for heavy metal and selenium residue analyses in tissue. Significant loading was apparent only in blood, brain, kidney, liver and muscle. Samples were analysed for mercury (Hg), selenium (Se), copper (Cu), cadmium (Cd) and lead (Pb). The seals carried higher levels of Cd than of the other metals. Residue levels of Cd were highest in kidney tissue; levels of other metals were highest in liver. Both males and females bioaccumulated Cd, Hg and Se. Cd, Hg, Se and Cu residues were detected in tissue from neonatal seals, indicating that transplacental and transmammary transfer of these elements had occurred. Despite the passage of residues from mother to pup, females bore significantly higher levels of Hg and Cd than males. Conversely, levels of Cu, Se or Pb did not appear to differ significantly between sexes. There was considerable individual variation in residue levels. This, coupled with the extensive annual migration undergone by these animals, made it difficult to arrive at definite conclusions regarding geographic accumulation patterns.

3. Positron study of annealing of gallium arsenide

SciTech Connect

Rice-Evans, P.C.; Smith, D.L.; Evans, H.E.; Gledhill, G.A. )

1991-02-01

A positron beam has been used to investigate the sub-surface changes in semi-insulating gallium arsenide which had been annealed to a range of temperatures. The variations of the Doppler S parameter as a function of positron implantation energy, when subjected to a diffusion analysis, indicate variations in positron trapping at different depths. The results indicate the changes in the type of point defect that accompany the annealing.

4. Impact of Lewis base on chemical reactivity and separation efficiency for hydrated fourth-row transition metal (II) complexes: an ONIOM DFT/MM study.

PubMed

He, Dingsheng; Ma, Ming

2014-04-24

In this paper, two-layer ONIOM combinations of high-level quantum mechanics (QM) and inexpensive molecular mechanics (MM) are successfully used to investigate the structural characters of metal (M, all the transition metals in the fourth period)-H2O-Lewis base (A(-)) complexes. Global and local descriptors of chemical reactivity and selectivity from conceptual density functional theory are employed to show the properties of the active complexes of M(H2O)2A2 and to study the effect of the Lewis base for the separation of transition metal ions. It is shown that chemical potential, hardness, electrophilicity, as well as the dual and multiphilic descriptors are adequate for characterizing the global and local reactivity trends of the M(H2O)2A2 complex. It is found that the reactivity is well localized at the metallic center in M(H2O)2A2 and the dual descriptor (ΔfM(r)) can also be used to characterize the directional attack of the electrophile and nucleophile except for the selectivity of the reaction. On the basis of the values of ωM and Δsk, and the sign of ΔfM(r), the selectivity of the nucleophilic reagent (R(-)) for M(II) in M(H2O)2A2 (from high to low) follows this order: Cu(II) > Ni(II) > Co(II) > Fe(II) ≫ Mn(II) > Zn(II) > Cr(II). The Lewis base (A(-)) improves chemical reactivity and selectivity because of changing the reaction path and forming an intermediate, which possesses the higher antibonding character and the larger HOMO/LUMO gap. NBO or AIMALL analysis and Frontier orbital theory results presented here provided more theoretical support for the above reactivity and selectivity studies.

5. Globular Cluster Abundances from High-resolution, Integrated-light Spectroscopy. II. Expanding the Metallicity Range for Old Clusters and Updated Analysis Techniques

Colucci, Janet E.; Bernstein, Rebecca A.; McWilliam, Andrew

2017-01-01

We present abundances of globular clusters (GCs) in the Milky Way and Fornax from integrated-light (IL) spectra. Our goal is to evaluate the consistency of the IL analysis relative to standard abundance analysis for individual stars in those same clusters. This sample includes an updated analysis of seven clusters from our previous publications and results for five new clusters that expand the metallicity range over which our technique has been tested. We find that the [Fe/H] measured from IL spectra agrees to ∼0.1 dex for GCs with metallicities as high as [Fe/H] = ‑0.3, but the abundances measured for more metal-rich clusters may be underestimated. In addition we systematically evaluate the accuracy of abundance ratios, [X/Fe], for Na i, Mg i, Al i, Si i, Ca i, Ti i, Ti ii, Sc ii, V i, Cr i, Mn i, Co i, Ni i, Cu i, Y ii, Zr i, Ba ii, La ii, Nd ii, and Eu ii. The elements for which the IL analysis gives results that are most similar to analysis of individual stellar spectra are Fe i, Ca i, Si i, Ni i, and Ba ii. The elements that show the greatest differences include Mg i and Zr i. Some elements show good agreement only over a limited range in metallicity. More stellar abundance data in these clusters would enable more complete evaluation of the IL results for other important elements. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

6. Synthesis, characterization and biological relevance of some metal (II) complexes with oxygen, nitrogen and oxygen (ONO) donor Schiff base ligand derived from thiazole and 2-hydroxy-1-naphthaldehyde

Nagesh, G. Y.; Mruthyunjayaswamy, B. H. M.

2015-04-01

The novel Schiff base ligand 2-((2-hydroxynaphthalen-1-yl)methylene)-N-(4-phenylthiazol-2-yl)hydrazinecarboxamide (L) obtained by the condensation of N-(4-phenylthiazol-2-yl)hydrazinecarboxamide with 2-hydroxy-1-naphthaldehyde and its newly synthesized Cu(II), Co(II), Ni(II), Zn(II) and Cd(II) complexes have been characterized by microanalysis, molar conductance, IR, 1H NMR, ESI-mass, UV-Visible, TGA/DTA, ESR and powder X-ray diffraction data to explicate their structures. The IR results confirmed the tridentate binding of the ligand involving oxygen atom of amide carbonyl, azomethine nitrogen and naphthol oxygen. 1H NMR spectral data of the ligand (L) and its Zn(II) complex agreed well with the proposed structures. Thermogravimetric studies for Cu(II) and Ni(II) complexes indicated the presence of coordinated water molecules and the final product is the metal oxide. In order to appraise the effect of antimicrobial activity of metal ions upon chelation, the newly synthesized ligand and its metal complexes were screened for their antimicrobial activity by minimum inhibitory concentration (MIC) method. The DNA cleavage activities were studied using plasmid DNA pBR322 (Bangal re Genei, Bengaluru, Cat. No 105850) as a target molecule by agarose gel electrophoresis method. The brine shrimp bioassay was also carried out to study the in vitro cytotoxicity properties against Artemia salina. Furthermore, the antioxidant activity were determined in vitro by reduction of 1,1-diphenyl-2-picryl hydrazyl (DPPH). The ligand exhibited better in vitro-antioxidant activity than its metal complexes.

7. Unexpected metal ion-assisted transformations leading to unexplored bridging ligands in Ni(II) coordination chemistry: the case of PO3F(2-) group.

PubMed

Dermitzaki, Despina; Raptopoulou, Catherine P; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P; Stamatatos, Theocharis C

2014-10-21

The initial 'accidental', metal ion-assisted hydrolysis of PF6(-) to PO3F(2-) has been evolved in a systematic investigation of the bridging affinity of the latter group in Ni(II)/oximate chemistry; mono-, di- and trinuclear complexes have been prepared and confirmed both the rich reactivity of PO3F(2-) and its potential for further use as bridging ligand in high-nuclearity 3d-metal cluster chemistry.

8. Performance Oriented Packaging Requirements of Wirebound Box for Small Caliber Ammunition Packed in PA108 Metal Container for Packing Group II Solid Hazardous Materials

DTIC Science & Technology

1993-11-05

amunition. This wirebound box contains two PA108 metal containers containing 5.56= mall caliber wmuiticx for Squad Automatic Weapons . Tests were...REQUIREMENTS OF WIREBOUND BOX FOR SMALL CALIBER AMMUNITION PACKED IN PA108 METAL CONTAINER =0 QUALCTYI"’D 5 FOR Acl For PACKING GROUP II OTNC TAB...Squad Automatic Weapon . This box contains a maximum gross weight of 54 kg. POP tests were conducted using additional weight(62 kg test weight) to insure

9. Initial results of positron ionization mass spectrometry

NASA Technical Reports Server (NTRS)

Donohue, D. L.; Hulett, L. D., Jr.; Mcluckey, S. A.; Glish, G. L.; Eckenrode, B. A.

1990-01-01

The use of monoenergetic positrons for the ionization of organic molecules in the gas phase is described. The ionic products are analyzed with a time-of-flight mass spectrometer and detected to produce a mass spectrum. The ionization mechanisms which can be studied in this way include positron impact at energies above the ionization limit of the target molecules, positronium formation in the Ore gap energy range, and positron attachment at energies less than 1eV. The technique of positron ionization mass spectrometry (PIMS) may have analytical utility in that chemical selectivity is observed for one or more of these processes.

10. Applications and advances of positron beam spectroscopy

SciTech Connect

Howell, R., LLNL

1998-03-18

Over 50 scientists from DOE-DP, DOE-ER, the national laboratories, academia and industry attended a workshop held on November 5-7, 1997 at Lawrence Livermore National Laboratory. Workshop participants were charged to address two questions: Is there a need for a national center for materials analysis using positron techniques and can the capabilities at Lawrence Livermore National Laboratory serve this need. To demonstrate the need for a national center, the workshop participants discussed the technical advantages enabled by high positron currents and advanced measurement techniques, the role that these techniques would play in materials analysis and the demand for the data. Livermore now leads the world in materials analysis capabilities by positrons due to developments in response to demands of stockpile stewardship. The Livermore facilities now include the worlds highest current beam of keV positrons, a scanning pulsed positron microprobe under development capable of three dimensional maps of defect size and concentration, an MeV positron beam for defect analysis of large samples, and electron momentum spectroscopy by positrons. It was concluded that the positron microprobe under development at LLNL and other new instruments that would be relocated at LLNL at the high current keV source are an exciting step forward in providing results for the positron technique. These new data will impact a wide variety of applications.

11. Nonvolatile Memory Effect in Indium Gallium Arsenide-Based Metal-Oxide-Semiconductor Devices Using II-VI Tunnel Insulators

Chan, P.-Y.; Gogna, M.; Suarez, E.; Karmakar, S.; Al-Amoody, F.; Miller, B. I.; Jain, F. C.

2011-08-01

This paper reports the successful use of ZnSe/ZnS/ZnMgS/ZnS/ZnSe as a gate insulator stack for an InGaAs-based metal-oxide-semiconductor (MOS) device, and demonstrates the threshold voltage shift required in nonvolatile memory devices using a floating gate quantum dot layer. An InGaAs-based nonvolatile memory MOS device was fabricated using a high- κ II-VI tunnel insulator stack and self-assembled GeO x -cladded Ge quantum dots as the charge storage units. A Si3N4 layer was used as the control gate insulator. Capacitance-voltage data showed that, after applying a positive voltage to the gate of a MOS device, charges were being stored in the quantum dots. This was shown by the shift in the flat-band/threshold voltage, simulating the write process of a nonvolatile memory device.

12. High-z QSO Absorption Systems: Metal-Poor Cold Flows and Mg II Absorber Host Galaxies

Cooper, Thomas; Simcoe, R. A.; Cooksey, K.; O'Meara, J.

2014-01-01

Cosmological simulations have suggested a new model for gas accretion in young galaxies, in which baryons flow into the star-forming disk along filamentary streams without shock heating at the dark matter halo virial radius. Observationally, these cold flows manifest as Lyman Limit Systems with low heavy element abundances. To search for cold flows in the early Universe, we have obtained echellette-resolution spectra of an HI-selected sample of LLS at z>3.5 from the Sloan Digital Sky Survey. The sightlines were selected to exhibit no heavy element absorption at the resolution afforded by SDSS, and the higher resolution data provides metallicity measurements precise enough to determine if they exhibit cold flow accretion characteristics. In a parallel program, we use the Magellan Telescopes and HST/WFC-3 to investigate the connection between Mg II absorbers and proximate galaxies at 3, extending fruitful studies of the circumgalactic medium to larger redshift.

13. Unusual composition dependence of magnetic relaxation for Co(II)(1-x)Ni(II)(x) chain-based metal-organic frameworks.

PubMed

Wang, Yan-Qin; Cheng, Ai-Ling; Liu, Pei-Pei; Gao, En-Qing

2013-08-11

A series of isomorphous 3D Co(II)(1-x)Ni(II)(x) MOFs based on ferromagnetic chains show SCM-type slow relaxation and the Co-rich system can exhibit a higher blocking temperature than both Co(II) and Ni(II) parent materials.

14. Metal-ion mutagenesis: conversion of a purple acid phosphatase from sweet potato to a neutral phosphatase with the formation of an unprecedented catalytically competent Mn(II)Mn(II) active site.

PubMed

Mitić, Natasa; Noble, Christopher J; Gahan, Lawrence R; Hanson, Graeme R; Schenk, Gerhard

2009-06-17

The currently accepted paradigm is that the purple acid phosphatases (PAPs) require a heterovalent, dinuclear metal-ion center for catalysis. It is believed that this is an essential feature for these enzymes in order for them to operate under acidic conditions. A PAP from sweet potato is unusual in that it appears to have a specific requirement for manganese, forming a unique Fe(III)-mu-(O)-Mn(II) center under catalytically optimal conditions (Schenk et al. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 273). Herein, we demonstrate, with detailed electron paramagnetic resonance (EPR) spectroscopic and kinetic studies, that in this enzyme the chromophoric Fe(III) can be replaced by Mn(II), forming a catalytically active, unprecedented antiferromagnetically coupled homodivalent Mn(II)-mu-(H)OH-mu-carboxylato-Mn(II) center in a PAP. However, although the enzyme is still active, it no longer functions as an acid phosphatase, having optimal activity at neutral pH. Thus, PAPs may have evolved from distantly related divalent dinuclear metallohydrolases that operate under pH neutral conditions by stabilization of a trivalent-divalent metal-ion core. The present Mn(II)-Mn(II) system models these distant relatives, and the results herein make a significant contribution to our understanding of the role of the chromophoric metal ion as an activator of the nucleophile. In addition, the detailed analysis of strain broadened EPR spectra from exchange-coupled dinuclear Mn(II)-Mn(II) centers described herein provides the basis for the full interpretation of the EPR spectra from other dinuclear Mn metalloenzymes.

15. PHASE-FIELD SIMULATION OF IRRADIATED METALS: PART II: GAS BUBBLE KINETICS

SciTech Connect

Paul C Millett; Anter El-Azab

2011-01-01

We present a phase-field model for inert gas bubble formation and evolution in irradiated metals. The model evolves vacancy, self-interstitial, and fission gas atoms through a coupled set of Cahn-Hilliard and Allen-Cahn equations, capturing the processes of defect generation, recombination, annihilation at GB sinks, as well as intragranular and intergranular bubble nucleation and growth in polycrystalline microstructures. Illustrative results are presented that characterize bubble growth and shrinkage, as well as the bubble density, size and nucleation rate as a function of varying irradiation conditions. Finally, intergranular bubble characteristics such as shape, pinning energy on GB motion, and bubble density are investigated.

16. A compendium of sources of fracture toughness and fatigue crack growth data for metallic alloys. II

NASA Technical Reports Server (NTRS)

Hudson, C. M.; Seward, S. K.

1982-01-01

A compendium is presented of sources for metallic alloy fracture toughness and fatigue crack growth data, which concentrates on technical reports as the primary source of references and updates the previous Hudson and Seward (1978) compendium references on technical journals. Where available, the accession numbers which are used as code numbers for the ordering of the reports from their publishers are given. The sources of these reports include the AIAA Technical Information Service, the Defense Technical Information Center, the National Technical Information Service, and NASA.

17. Ternary complexes metal [Co(II), Ni(II), Cu(II) and Zn(II)]--ortho-iodohippurate (I-hip)--acyclovir. X-ray characterization of isostructural [(Co, Ni or Zn)(I-hip)(2)(ACV)(H(2)O)(3)] with stacking as a recognition factor.

PubMed

Barceló-Oliver, M; Terrón, A; García-Raso, A; Fiol, J J; Molins, E; Miravitlles, C

2004-11-01

Four ternary metal--ortho-iodohippurate (I-hip)--acyclovir (ACV) complexes, [M(I-hip)(2)(ACV)(H(2)O)(3)] where M is Co(II) (1), Ni(II) (2), Cu (3) and Zn(II) have been obtained by reaction between the corresponding binary complexes M(II)(I-hip)(2)xnH(2)O and ACV. Three ternary complexes (M=Co, Ni and Zn) and the corresponding Zn(II)--ortho-iodohippurate binary derivative have been structurally characterized by X-ray diffraction: The studies show these three ternary complexes are isostructural and present, in solid state, an interesting stacking between the nucleobase and the aryl ring of the hippurate moiety, which probably promotes the formation of ternary complexes. Moreover, the two different ligands interact between them by means of ancillary hydrogen bonds with water molecules coordinated to the metal ion. It must be mentioned that these two recognition factors, hydrogen bonds plus stacking, could explain the reason for the isostructurality of these ternary derivatives with so different three metal ions, with diverses trends in coordination numbers and geometries. In solid state, there are two enantiomeric molecules that are related by an inversion center as the crystal-building unit (as a translational motif) for the ternary complexes.

18. Temperature dependence of probability of absorption of. gamma. -quanta by Sn(II)-containing complexes of transition metals

SciTech Connect

Yurchenko, E.N.; Kuznetsov, v.I.; Burgina, E.B.

1985-09-01

A study has been made of the relationship f'(T) (T = 77-300/sup 0/K) for platinum-group metal complexes containing Sn(II)-X (X= F, Cl, Br); these data have been used to determine the mean-square amplitudes of vibrations of the Sn atom in the anions and together with the anion, and their temperature dependences have been found. The observed relationships at f'(T) depend to a considerable degree on the vibrations of the first type, i.e., on the rigidity of the bonds between the Sn and the immediate environment. The different Sn-X ligands have their own characteristic relationships f'(T), so that they can be used for identification of types of Sn(II)-containing complexes. The normal vibrations of the different complexes have been calculated, and it has been established that the observed changes in their f'(T) in the series of halides can be explained by the increase in the number of low-frequency vibrations in the series Br > Cl > F and by their effective inclusion in the absorption of the recoil energy given up by the Sn atom. Within the framework of the analysis, an explanation has been found for the increase in f' of the complexes when they are supported on the surface of substances containing acidic OH groups.

19. Proton conduction and long-range ferrimagnetic ordering in two isostructural Copper(II) mesoxalate metal-organic frameworks.

PubMed

Gil-Hernández, Beatriz; Savvin, Stanislav; Makhloufi, Gamall; Núñez, Pedro; Janiak, Christoph; Sanchiz, Joaquín

2015-02-16

Two compounds of formula {(H3O)[Cu7(Hmesox)5(H2O)7]·9H2O}n (1a) and {(NH4)0.6(H3O)0.4[Cu7(Hmesox)5(H2O)7]·11H2O}n (1b) were prepared and structurally characterized by single-crystal X-ray diffraction (H4mesox = mesoxalic acid, 2-dihydroxymalonic acid). The compounds are crystalline functional metal-organic frameworks exhibiting proton conduction and magnetic ordering. Variable-temperature magnetic susceptibility measurements reveal that the copper(II) ions are strongly ferro- and antiferromagnetically coupled by the alkoxide and carboxylate bridges of the mesoxalate linker to yield long-range magnetic ordering with a Tc of 17.6 K, which is reached by a rare mechanism known as topologic ferrimagnetism. Electric conductivity, measured by impedance methods, shows values as high as 6.5 × 10(-5) S cm(-1) and occurs by proton exchange among the hydronium/ammonium and water molecules of crystallization, which fill the voids left by the three-dimensional copper(II) mesoxalate anionic network.

20. Mercury (II) reduction and co-precipitation of metallic mercury on hydrous ferric oxide in contaminated groundwater.

PubMed

Richard, Jan-Helge; Bischoff, Cornelia; Ahrens, Christian G M; Biester, Harald

2016-01-01

Mercury (Hg) speciation and sorption analyses in contaminated aquifers are useful for understanding transformation, retention, and mobility of Hg in groundwater. In most aquifers hydrous ferric oxides (HFOs) are among the most important sorbents for trace metals; however, their role in sorption or mobilization of Hg in aquifers has been rarely analyzed. In this study, we investigated Hg chemistry and Hg sorption to HFO under changing redox conditions in a highly HgCl2-contaminated aquifer (up to 870μgL(-1) Hg). Results from aqueous and solid phase Hg measurements were compared to modeled (PHREEQC) data. Speciation analyses of dissolved mercury indicated that Hg(II) forms were reduced to Hg(0) under anoxic conditions, and adsorbed to or co-precipitated with HFO. Solid phase Hg thermo-desorption measurements revealed that between 55 and 93% of Hg bound to HFO was elemental Hg (Hg(0)). Hg concentrations in precipitates reached more than 4 weight %, up to 7000 times higher than predicted by geochemical models that do not consider unspecific sorption to and co-precipitation of elemental Hg with HFO. The observed process of Hg(II) reduction and Hg(0) formation, and its retention and co-precipitation by HFO is thought to be crucial in HgCl2-contaminated aquifers with variable redox-conditions regarding the related decrease in Hg solubility (factor of ~10(6)), and retention of Hg in the aquifer.

1. Spectral, mechanical, thermal, optical and solid state parameters, of metal-organic bis(hydrogenmaleate)-CO(II) tetrahydrate crystal

Chandran, Senthilkumar; Jagan, R.; Paulraj, Rajesh; Ramasamy, P.

2015-10-01

Metal-organic bis(hydrogenmaleate)-Co(II) tetrahydrate single crystals have been grown by slow evaporation solution growth technique at room temperature. The crystal structure and the unit cell parameters were analyzed from the X-ray diffraction studies. Single-crystal X-ray diffraction analyses reveal that the grown crystal belongs to triclinic system with the space group P-1. Functional groups in bis(hydrogenmaleate)-Co(II) tetrahydrate were identified by Fourier transform infrared spectral analysis. The peak observed at 663 cm-1 is assigned to the (Co-O) stretching vibrations. The optical transmission of the crystal was studied by UV-vis-NIR spectral analysis. The photoluminescence emission studies were carried out for the title compound in a wide wavelength range between 350 nm and 550 nm at 303 K. Mechanical strength was tested by Vickers microhardness test. The laser damage threshold value has been determined using Nd:YAG laser operating at 1064 nm. At various frequencies and temperatures the dielectric behavior of the material was investigated. Solid state parameters such as plasma energy, Penn gap, Fermi energy and electronic polarizability were evaluated. Photoconductivity measurements were carried out for the grown crystal in the presence of DC electric field at room temperature. Thermal stability and decomposition of the crystal were studied by TG-DTA. The weight loss of the title compound occurs in different steps.

2. Unbound position II in MXCXXC metallochaperone model peptides impacts metal binding mode and reactivity: Distinct similarities to whole proteins.

PubMed

Shoshan, Michal S; Dekel, Noa; Goch, Wojciech; Shalev, Deborah E; Danieli, Tsafi; Lebendiker, Mario; Bal, Wojciech; Tshuva, Edit Y

2016-06-01

The effect of position II in the binding sequence of copper metallochaperones, which varies between Thr and His, was investigated through structural analysis and affinity and oxidation kinetic studies of model peptides. A first Cys-Cu(I)-Cys model obtained for the His peptide at acidic and neutral pH, correlated with higher affinity and more rapid oxidation of its complex; in contrast, the Thr peptide with the Cys-Cu(I)-Met coordination under neutral conditions demonstrated weaker and pH dependent binding. Studies with human antioxidant protein 1 (Atox1) and three of its mutants where S residues were replaced with Ala suggested that (a) the binding affinity is influenced more by the binding sequence than by the protein fold (b) pH may play a role in binding reactivity, and (c) mutating the Met impacted the affinity and oxidation rate more drastically than did mutating one of the Cys, supporting its important role in protein function. Position II thus plays a dominant role in metal binding and transport.

3. The intra-annular acylamide chelate-coordinated compound: The keto-tautomer of metal (II) milrinone complex

Gong, Yun; Liu, Jinzhi; Tang, Wang; Hu, Changwen

2008-03-01

In the presence of N, N'-dimethyllformamide (DMF), two isostructural metal (II)-milrinone complexes formulated as M(C 12H 8N 3O) 2 (M = Co 1 and Ni 2) have been synthesized and characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. The two compounds crystallize in the tetragonal system, chiral space group P4 32 12. They exhibit similar two dimensional (2D) square grid-like framework, in which milrinone acts as a ditopic ligand with its terminal pyridine and intra-annular acylamide groups covalently bridging different metal centers. The intra-annular acylamide ligand shows a chelate-coordinated mode. Compounds 1 and 2 are stable under 200 °C. Compound 3 formulated as (C 12H 9N 3O) 4·H 2O was obtained in the presence of water, the water molecule in the structure leads to the racemization of compound 3 and it crystallizes in the monoclinic system, non-chiral space group P2 1/ c. Milrinone exhibits a keto-form in the three compounds and compounds 1- 3 exhibit different photoluminescence properties.

4. Platinum(II) metal complexes as potential anti-Trypanosoma cruzi agents.

PubMed

Vieites, Marisol; Otero, Lucía; Santos, Diego; Toloza, Jeannette; Figueroa, Roberto; Norambuena, Ester; Olea-Azar, Claudio; Aguirre, Gabriela; Cerecetto, Hugo; González, Mercedes; Morello, Antonio; Maya, Juan Diego; Garat, Beatriz; Gambino, Dinorah

2008-01-01

In the search for new therapeutic tools against Chagas' disease (American Trypanosomiasis) two series of new platinum(II) complexes with bioactive 5-nitrofuryl containing thiosemicarbazones as ligands were synthesized, characterized and in vitro evaluated. Most of the complexes showed IC50 values in the muM range against two different strains of Trypanosoma cruzi, causative agent of the disease, being as active as the anti-trypanosomal drug Nifurtimox. In particular, the coordination of L3 (4-ethyl-1-(5-nitrofurfurylidene)thiosemicarbazide) to Pt(II) forming [Pt(L3)2] lead to almost a five-fold activity increase in respect to the free ligand. Trying to get an insight into the trypanocidal mechanism of action of these compounds, DNA and redox metabolism (intra-parasite free radical production) were evaluated as potential parasite targets. Results suggest that the complexes could inhibit parasite growth through a dual mechanism of action involving production of toxic free radicals by bioreduction and DNA interaction.

5. Transition metal(II) complexes of vitamin B13 with monodentate orotate(1-) ligands

Köse, Dursun Ali; Zümreoglu-Karan, Birgül; Şahin, Onur; Büyükgüngör, Orhan

2006-05-01

The formation of bisorotate(1-) complexes of the type [M(C 5H 3N 2O 4) 2(H 2O) 4]· nH 2O (M=Co, Ni, Zn and n=2, 4) was achieved by the reaction of ammonium orotate with the corresponding M(II) ions. The crystal structure of [Co(C 5H 3N 2O 4) 2(H 2O) 4]·2H 2O was determined by single crystal X-ray diffraction analysis. Each Co(II) ion in the monomeric Co(C 5H 3N 2O 4) 2(H 2O) 4 units adapts a slightly distorted octahedral geometry comprised of two monodentate orotate anions and four H 2O ligands. Columnar packing of pyrimidine rings along the c axis leads to the formation of layers that propagate parallel to the b axis and the adjacent layers are linked by hydrogen bonds forming a 3D lattice. Complexes of nickel and zinc were assumed to contain monodentate bound orotate ligands as well on the basis of physical and spectroscopic data.

6. Design of Lead(II) Metal-Organic Frameworks Based on Covalent and Tetrel Bonding.

PubMed

Servati Gargari, Masoumeh; Stilinović, Vladimir; Bauzá, Antonio; Frontera, Antonio; McArdle, Patrick; Van Derveer, Donald; Ng, Seik Weng; Mahmoudi, Ghodrat

2015-12-01

Three solid materials, [Pb(HL)(SCN)2 ]⋅CH3 OH (1), [Pb(HL)(SCN)2 ] (2), and [Pb(L)(SCN)]n (3), were obtained from Pb(SCN)2 and an unsymmetrical bis-pyridyl hydrazone ligand that can act both as a bridging and as a chelating ligand. In all three the lead center is hemidirectionally coordinated and is thus sterically optimal for participation in tetrel bonding. In the crystal structures of all three compounds, the lead atoms participate in short contacts with thiocyanate sulfur or nitrogen atoms. These contacts are shorter than the sums of the van der Waals radii (3.04-3.47 Å for Pb⋅⋅⋅S and 3.54 Å for Pb⋅⋅⋅N) and interconnect the covalently bonded units (monomers, dimers, and 2D polymers) into supramolecular assemblies (chains and 3D structures). DFT calculations showed these contacts to be tetrel bonds of considerable energy (6.5-10.5 kcal mol(-1) for Pb⋅⋅⋅S and 16.5 kcal mol(-1) for Pb⋅⋅⋅N). A survey of structures in the CSD showed that similar contacts often appear in crystals of Pb(II) complexes with regular geometries, which leads to the conclusion that tetrel bonding plays a significant role in the supramolecular chemistry of Pb(II) .

7. Cylindrical Wire Electrical Discharge Machining of Metal Bond Diamond Wheels- Part II: Wheel Wear Mechanism

SciTech Connect

2002-01-22

The use of stereo scanning Electron Microscopy (SEM) to investigate the wear mechanism of the wire EDM true metal bond diamond wheel for ceramic grinding is presented. On the grinding wheel, a wedge-shape removal part was machined to enable the examination and measurement of the worn wheel surfaces using the stereo SEM. The stereo SEM was calibrated by comparing results of depth profile of a wear groove with the profilometer measurements. On the surface of the grinding wheel after wire EDM truing and before grinding, the diamond protruding heights were measured in the level of 35 {micro}m, comparing to the 54 {micro}m average size of the diamond in the grinding wheel. The gap between the EDM wire and rotating grinding wheel is estimated to be about 35 to 40 {micro}m. This observation indicates that, during the wire EDM, electrical sparks occur between the metal bond and EDM wire, which leaves the diamond protruding in the gap between the wire and wheel. The protruding diamond is immediately fractured at the start of the grinding process, even under a light grinding condition. After heavy grinding, the grinding wheel surface and the diamond protrusion heights are also investigated using the stereo SEM. The height of diamond protrusion was estimated in the 5 to 15 {micro}m range. This study has demonstrated the use of stereo SEM as a metrology tool to study the grinding wheel surface.

8. A novel route for the removal of bodily heavy metal lead (II)

Huang, Weirong; Zhang, Penghua; Xu, Hui; Chang, Shengli; He, Yongju; Wang, Fei; Liang, Gaowei

2015-09-01

9. Effects of metallic or translucent matrices for Class II composite restorations: 4-year clinical follow-up findings.

PubMed

Demarco, Flávio Fernando; Pereira-Cenci, Tatiana; de Almeida André, Dárvi; de Sousa Barbosa, Renata Pereira; Piva, Evandro; Cenci, Maximiliano Sérgio

2011-02-01

This study evaluated the performance of composite restorations placed with two matrix and wedge systems 4 years after placement. In a split-mouth design, 23 patients were selected and received at least two class II restorations, one with metallic matrix and wooden wedge and the other with polyester matrix and reflective wedge. One dentist placed the 109 restorations, and all cavities were restored using Single Bond and P-60 (3M ESPE) according to the manufacturer's instructions. Polymerization was performed through occlusal (metallic matrices) or through the reflective wedge (polyester matrices). Restorations were evaluated and categorized as alpha (A), bravo (B), charlie (C), and delta (D; modified United States Public Health System criteria) at baseline and 4 years after placement. Both clinical aspects and interproximal radiographs were considered in the evaluation. Data were analyzed with Mann-Whitney and Friedman tests (α = 0.05). Fifteen subjects (78 teeth/102 proximal surfaces) were reassessed after 4 years. Considering comparisons within matrices in different evaluation time points, no significant differences were observed (p > 0.05). Comparing 4-year to baseline results, the quality of marginal adaptation (40% and 40.4 %, score A), marginal staining (31.3% and 28.8%, score A), and roughness (56% and 46.2%, score A) decreased for metallic and translucent matrices, respectively (p < 0.05), while color match (9.6%, score A), occlusal contacts (75%, score A), and proximal contacts (71.7%, score A) also decreased in quality for translucent matrices (p < 0.001). Although the matrix and wedge systems evaluated showed similar clinical performance, there was clinical quality loss after 4 years, with most of the restorations being still acceptable, and no intervention was necessary.

10. Copper (II) and zinc (ii) metal-based salicyl-, furanyl-, thienyl- and pyrrolyl-derived ONNO, NNNO, ONNS & NNNS donor asymmetrically mixed schiff-bases with antibacterial and antifungal potentials.

PubMed

Chohan, Zahid H; Arif, M; Rashid, A

2008-12-01

A new series of asymmetric salicyl-, furanyl-, thienyl- and pyrrolyl-derived ONNO, NNNO, ONNS & NNNS donor antibacterial and antifungal Schiff-bases and their copper(II) and zinc(II) metal complexes have been synthesized and characterized. IR spectra indicated the ligands to act as quartdentate towards divalent metal ions via two azomethine-N, deprotonated-O of salicyl, furanyl-O, thienyl-S and/or pyrrolyl-N. The magnetic moments and electronic spectral data suggest octahedral geometry for Cu(II) and Zn(II) complexes. NMR spectral data of the ligands and their diamagnetic zinc(II) complexes well-define their proposed structures/geometries. Elemental analyses data of the ligands and metal complexes agree with their proposed structures/geometries. The synthesized ligands, along with their metal complexes were screened for their antibacterial activity against B. cereus, C. diphtheriae, E. coli, K. pneumoniae, P. mirabilis, P. aeruginosa, S. typhi, S. dysenteriae and S. aureus strains and for in-vitro antifungal activity against T. schoenleinii, C. glabrata, P. boydii, C. albicans, A. niger, M. canis and T. mentagrophytes. The results of these studies show the metal complexes to be more antibacterial/antifungal against one or more species as compared to the uncomplexed ligands. The brine shrimp bioassay was also carried out to study their in-vitro cytotoxic properties. Eight compounds, L(4), (1), (7), (8), (11), (17), (19) and (23) displayed potent cytotoxic activity with LD(50) = 1.445 x 10(- 3), 1.021 x 10(- 3), 7.478 x 10(- 4), 8.566 x 10(- 4), 1.028 x 10(- 3), 9.943 x 10(- 4), 8.730 x 10(- 4) and 1.124 x 10(- 3) M respectively, against Artemia salina.

11. Matrix Isolation Spectroscopy Applied to Positron Moderatioin in Cryogenic Solids

DTIC Science & Technology

2011-07-01

nanoseconds. Positrons that reach a free surface of the moderator before annihilating with an electron may escape into vacuum where they can be...0324. 3 • The positron (e+) is the antiparticle to the electron (e-). • Positrons are stable, but annihilate with electrons to produce γ-rays...Current Positron Applications • 2-γ decay exploited in Positron Emission Tomography (PET) scanners. • Positrons localize & annihilate preferentially at

12. Proton/metal-ligand stability constants of complexes of Ni(II), Cu(II), and Co(II) with diethyl 4-(substituted-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate in 70% dioxane-water mixture

2015-12-01

Physico-chemical properties viz proton-ligand and metal-ligand stability constants of complexes of diethyl 4-(substituted-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate with Ni(II), Cu(II), and Co(II) were determined in mixed solvents (70% dioxane). Presence of OH/NH group(s) in these compounds was confirmed at 0.1 M ionic strength in 70% dioxane-water mixture pH-metrically. It is observed that Ni(II), Cu(II), and Co(II) metal ions formed 1: 1 and 1: 2 complex with all the three ligands. The results show that the ratio of log K 1/log K 2 is positive in all cases. This implies that there is little or no steric hindrance to the addition of secondary molecules.

13. Enhancement of chitosan-graphene oxide SPR sensor with a multi-metallic layers of Au-Ag-Au nanostructure for lead(II) ion detection

Kamaruddin, Nur Hasiba; Bakar, Ahmad Ashrif A.; Yaacob, Mohd Hanif; Mahdi, Mohd Adzir; Zan, Mohd Saiful Dzulkefly; Shaari, Sahbudin

2016-01-01

We demonstrate the enhancement of surface plasmon resonance (SPR) technique by implementing a multi-metallic layers of Au-Ag-Au nanostructure in the chitosan-graphene oxide (CS-GO) SPR sensor for lead(II) ion detection. The performance of the sensor is analyzed via SPR measurements, from which the sensitivity, signal-to-noise ratio and repeatability are determined. The nanostructure layers are characterized using field emission scanning electron microscopy (FESEM), atomic force microscopy (AFM), X-ray diffraction (XRD), Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). We showed that the proposed structure has increased the shift in the SPR angle up to 3.5° within the range of 0.1-1 ppm due to the enhanced evanescent field at the sensing layer-analyte interface. This sensor also exhibits great repeatability which benefits from the stable multi-metallic nanostructure. The SNR value of 0.92 for 5 ppm lead(II) ion solution and reasonable linearity range up to that concentration shows that the tri-metallic CS-GO SPR sensor gives a good response towards the lead(II) ion solution. The CS-GO SPR sensor is also sensitive to at least a 10-5 change in the refractive index. The results prove that our proposed tri-metallic CS-GO SPR sensor demonstrates a strong performance and reliability for lead(II) ion detection in accordance with the standardized lead safety level for wastewater.

14. Synthesis and characterization of a series of transition metal complexes with a new symmetrical polyoxaaza macroacyclic Schiff base ligand: X-ray crystal structure of cobalt(II) and nickel(II) complexes and their antibacterial properties

Keypour, Hassan; Shayesteh, Maryam; Rezaeivala, Majid; Chalabian, Firoozeh; Valencia, Laura

2013-01-01

A new symmetrical [N4O2] hexadentate Schiff base ligand, (E)-N-(pyridin-2-ylmethylene)-2-(3-(2-((E)-pyridin-2-lmethyleneamino)phenoxy)naphthalen-2-yloxy)benzenamine, abbreviated to L, and its complexes of Ni(II), Cu(II), Zn(II), Co(II), Cd(II) and Mn(II) have been synthesized in the presence of metal ions. The complexes were structurally characterized by elemental analyses, IR, UV-Vis, NMR and molar conductivity. The crystal structures of two complexes, [NiL(ONO2)2]·2H2O and [CoLCl2]CH3OH·0.5H2O, have been determined by a single crystal X-ray diffraction study. In these complexes, the ligand is coordinated in a neutral form via pyridine and azomethine nitrogen atoms. The metal ions complete their six coordination with two coordinated nitrate or chloride ions, forming a distorted octahedral geometry. The synthesized compounds have antibacterial activity against the three Gram-positive bacteria: Enterococcus faecalis, Bacillus cereus and Staphylococcus epid and also against the three Gram-negative bacteria: Citrobacter freundii, Enterobacter aerogenes and Salmonella typhi. The activity data show that the complexes are more potent antibacterials than the parent Schiff base.

15. Synthesis and characterization of a series of transition metal complexes with a new symmetrical polyoxaaza macroacyclic Schiff base ligand: X-ray crystal structure of cobalt(II) and nickel(II) complexes and their antibacterial properties.

PubMed

Keypour, Hassan; Shayesteh, Maryam; Rezaeivala, Majid; Chalabian, Firoozeh; Valencia, Laura

2013-01-15

A new symmetrical [N4O2] hexadentate Schiff base ligand, (E)-N-(pyridin-2-ylmethylene)-2-(3-(2-((E)-pyridin-2-lmethyleneamino)phenoxy)naphthalen-2-yloxy)benzenamine, abbreviated to L, and its complexes of Ni(II), Cu(II), Zn(II), Co(II), Cd(II) and Mn(II) have been synthesized in the presence of metal ions. The complexes were structurally characterized by elemental analyses, IR, UV-Vis, NMR and molar conductivity. The crystal structures of two complexes, [NiL(ONO2)2]·2H2O and [CoLCl2]CH3OH·0.5H2O, have been determined by a single crystal X-ray diffraction study. In these complexes, the ligand is coordinated in a neutral form via pyridine and azomethine nitrogen atoms. The metal ions complete their six coordination with two coordinated nitrate or chloride ions, forming a distorted octahedral geometry. The synthesized compounds have antibacterial activity against the three Gram-positive bacteria: Enterococcus faecalis, Bacillus cereus and Staphylococcus epid and also against the three Gram-negative bacteria: Citrobacter freundii, Enterobacter aerogenes and Salmonella typhi. The activity data show that the complexes are more potent antibacterials than the parent Schiff base.

16. Ca II K line - A new metallicity indicator for RR Lyrae stars

SciTech Connect

Clementini, G.; Tosi, M.; Merighi, R. )

1991-06-01

CCD spectra, which cover wavelengths between 3900 and 4400 A at a dispersion of 43 A/mm, are obtained for 26 field RR Lyrae variables of Bailey type ab to verify Preston's delta-S calibration scale. The width of the Ca II K line is found to correlate very well with the direct Fe/H values, particularly when Fe/H = 0.53 W-prime(K) - 3.08, where W-prime(K) is the width of the K line corrected for interstellar contribution. The K line equivalent is shown to be a reliable method for deriving the Fe/H abundance from low resolution spectra taken from these stars. 47 refs.

17. Beat Cepheids as Probes of Stellar and Galactic Metallicity. II. Opacities with the AGS Mixture

Buchler, J. Robert

2008-06-01

It is well known that the mere location of a beat Cepheid model in a period ratio versus period diagram (Petersen diagram) puts constraints on its metallicity Z. But these bounds are sensitive to the mixture of elements that are lumped into the parameter Z. In this short paper we update the previous results that were based on the Grevesse-Noels solar mixture to the recent, revised Asplund, Grevesse, & Sauval (AGS) solar mixture. We also examine the effect of the envelope depth on the accuracy of the computed pulsation periods. We find that for low-period Cepheids with high Z the customary approximation of envelope pulsation breaks down. It is necessary to compute stellar models that extend to the center and to include burning and composition inhomogeneities in the modeling. Fortunately, however, most beat Cepheids that have been observed so far seem to avoid that regime.

18. Alkaline-earth metal hydrides as novel host lattices for Eu(II) luminescence.

PubMed

Kunkel, Nathalie; Kohlmann, Holger; Sayede, Adlane; Springborg, Michael

2011-07-04

Luminescence of divalent europium has been investigated for the first time in metal hydrides. A complete solid-solution series was found for the pseudobinary system Eu(x)Sr(1-x)H(2) [a = 637.6(1) pm -12.1(3)x pm, b = 387.0(1)-6.5(2)x pm, c = 732.2(2)-10.1(4)x pm]. Europium-doped alkaline-earth hydrides Eu(x)M(1-x)H(2) (M = Ca, Sr, Ba) with a small europium concentration (x = 0.005) exhibit luminescence with maximum emission wavelengths of 764 nm (M = Ca), 728 nm (M = Sr), and 750 nm (M = Ba); i.e., the emission energy of divalent europium shows an extremely large red shift compared to the emission energies of fluorides or oxides. Theoretical calculations (LDA+U) confirm decreasing band gaps with increasing europium content of the solid solutions.

19. On the method of positron lifetime measurement

NASA Technical Reports Server (NTRS)

Nishiyama, F.; Shizuma, K.; Nasai, H.; Nishi, M.

1983-01-01

A fast-slow coincidence system was constructed for the measurement of positron lifetimes in material. The time resolution of this system was 270 ps for the (60)Co gamma rays. Positron lifetime spectra for 14 kinds of alkali halides were measured with this system. Two lifetime components and their intensities were derived from analyses of the lifetime spectra.

20. Descriptions of positron defect analysis capabilities

SciTech Connect

Howell, R.H.

1994-10-01

A series of descriptive papers and graphics appropriate for distribution to potential collaborators has been assembled. These describe the capabilities for defect analysis using positron annihilation spectroscopy. The application of positrons to problems in the polymer and semiconductor industries is addressed.

1. 21 CFR 892.1110 - Positron camera.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Positron camera. 892.1110 Section 892.1110 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1110 Positron camera. (a) Identification. A...

2. 21 CFR 892.1110 - Positron camera.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Positron camera. 892.1110 Section 892.1110 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1110 Positron camera. (a) Identification. A...

3. 21 CFR 892.1110 - Positron camera.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Positron camera. 892.1110 Section 892.1110 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1110 Positron camera. (a) Identification. A...

4. 21 CFR 892.1110 - Positron camera.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Positron camera. 892.1110 Section 892.1110 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1110 Positron camera. (a) Identification. A...

5. 21 CFR 892.1110 - Positron camera.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Positron camera. 892.1110 Section 892.1110 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1110 Positron camera. (a) Identification. A...

6. Ionisation of atomic hydrogen by positron impact

NASA Technical Reports Server (NTRS)

Spicher, Gottfried; Olsson, Bjorn; Raith, Wilhelm; Sinapius, Guenther; Sperber, Wolfgang

1990-01-01

With the crossed beam apparatus the relative impact-ionization cross section of atomic hydrogen by positron impact was measured. A layout of the scattering region is given. The first measurements on the ionization of atomic hydrogen by positron impact are also given.

7. Electron and Positron Stopping Powers of Materials

National Institute of Standards and Technology Data Gateway

SRD 7 NIST Electron and Positron Stopping Powers of Materials (PC database for purchase)   The EPSTAR database provides rapid calculations of stopping powers (collisional, radiative, and total), CSDA ranges, radiation yields and density effect corrections for incident electrons or positrons with kinetic energies from 1 keV to 10 GeV, and for any chemically defined target material.

PubMed

Gourni, Eleni; Henriksen, Gjermund

2017-03-24

Prostate cancer is one of the most common malignancies for which great progress has been made in identifying appropriate molecular targets that would enable efficient in vivo targeting for imaging and therapy. The type II integral membrane protein, prostate specific membrane antigen (PSMA) is overexpressed on prostate cancer cells in proportion to the stage and grade of the tumor progression, especially in androgen-independent, advanced and metastatic disease, rendering it a promising diagnostic and/or therapeutic target. From the perspective of nuclear medicine, PSMA-based radioligands may significantly impact the management of patients who suffer from prostate cancer. For that purpose, chelating-based PSMA-specific ligands have been labeled with various diagnostic and/or therapeutic radiometals for single-photon-emission tomography (SPECT), positron-emission-tomography (PET), radionuclide targeted therapy as well as intraoperative applications. This review focuses on the development and further applications of metal-based PSMA radioligands.

9. Positronic complexes with unnatural parity

SciTech Connect

Bromley, M. W. J.; Mitroy, J.; Varga, K.

2007-06-15

The structure of the unnatural parity states of PsH, LiPs, NaPs, and KPs are investigated with the configuration interaction and stochastic variational methods. The binding energies (in hartree) are found to be 8.17x10{sup -4}, 4.42x10{sup -4}, 15.14x10{sup -4}, and 21.80x10{sup -4}, respectively. These states are constructed by first coupling the two electrons into a configuration which is predominantly {sup 3}P{sup e}, and then adding a p-wave positron. All the active particles are in states in which the relative angular momentum between any pair of particles is at least L=1. The LiPs state is Borromean since there are no three-body bound subsystems (of the correct symmetry) of the (Li{sup +}, e{sup -}, e{sup -}, e{sup +}) particles that make up the system. The dominant decay mode of these states will be radiative decay into a configuration that autoionizes or undergoes positron annihilation.

10. Determination of trace cobalt(II) by adsorptive stripping voltammetry on disposable microfabricated electrochemical cells with integrated planar metal-film electrodes.

PubMed

Kokkinos, Christos; Economou, Anastasios; Koupparis, Michael

2009-01-15

This work reports the determination of trace Co(II) by adsorptive stripping voltammetry on disposable three-electrode cells with on-chip metal-film electrodes. The heart of the sensors was a bismuth-film electrode (BiFE) with Ag and Pt planar strips serving as the reference and counter electrodes, respectively. Metals were deposited on a silicon chip by sputtering while the areas of the electrodes were patterned via a metal mask. Co(II) was determined by square wave adsorptive stripping voltammetry (SWAdSV) after complexation with dimethylglyoxime (DMG). The experimental variables (the DMG concentration, the preconcentration potential, the accumulation time and the SW parameters), as well as potential interferences, were investigated. Using the selected conditions, the 3 sigma limit of detection was 0.09 microg l(-1) of Co(II) (for 90s of preconcentration) and the relative standard deviation for Co(II) was 3.8% at the 2 microg l(-1) level (n=8). The method was applied to the determination of Co(II) in a certified river water sample. These mercury-free electrochemical devices present increased scope for field analysis and mu-TAS applications.

11. Coordination mode of pentadentate ligand derivative of 5-amino-1,3,4-thiadiazole-2-thiol with nickel(II) and copper(II) metal ions: Synthesis, spectroscopic characterization, molecular modeling and fungicidal study

Chandra, Sulekh; Gautam, Seema; Kumar, Amit; Madan, Molly

2015-02-01

Complexes of nickel(II), and copper(II) were synthesized with pantadentate ligand i.e. 3,3‧-thiodipropionicacid-bis(5-amino-1,3,4-thiadiazole-2-thiol) (L). The ligand was synthesized by the condensation of thiodipropionic acid and 5-amino-1,3,4-thiadiazole-2-thiol in 1:2 ratio, respectively. Synthesized ligand was characterized by elemental analysis, mass, 1H NMR, IR, and molecular modeling. All the complexes were characterized by elemental analysis, molar conductance, magnetic moment, IR, electronic spectra, ESR, and molecular modeling. The newly synthesized complexes possessed general composition [M(L)X2] where M = Ni(II), Cu(II), L = pantadentate ligand and X = Cl-, CH3COO-. The IR spectral data indicated that the ligand behaved as a pantadentate ligand and coordinated to the metal ion through N2S3 donor atoms. The molar conductance value of Ni(II), and Cu(II) complexes in DMSO corresponded to their electrolytic behavior. On the basis of spectral study, octahedral and tetragonal geometry was assigned for Ni(II) and Cu(II) complexes, respectively. In vitro fungicidal study of ligand and its complexes was investigated against fungi Candida albicans, Candida parapsilosis, Candidia krusei, and Candida tropicalis by means of well diffusion method.

12. Coordination mode of pentadentate ligand derivative of 5-amino-1,3,4-thiadiazole-2-thiol with nickel(II) and copper(II) metal ions: synthesis, spectroscopic characterization, molecular modeling and fungicidal study.

PubMed

Chandra, Sulekh; Gautam, Seema; Kumar, Amit; Madan, Molly

2015-02-05

Complexes of nickel(II), and copper(II) were synthesized with pantadentate ligand i.e. 3,3'-thiodipropionicacid-bis(5-amino-1,3,4-thiadiazole-2-thiol) (L). The ligand was synthesized by the condensation of thiodipropionic acid and 5-amino-1,3,4-thiadiazole-2-thiol in 1:2 ratio, respectively. Synthesized ligand was characterized by elemental analysis, mass, (1)H NMR, IR, and molecular modeling. All the complexes were characterized by elemental analysis, molar conductance, magnetic moment, IR, electronic spectra, ESR, and molecular modeling. The newly synthesized complexes possessed general composition [M(L)X2] where M = Ni(II), Cu(II), L = pantadentate ligand and X = Cl(-), CH3COO(-). The IR spectral data indicated that the ligand behaved as a pantadentate ligand and coordinated to the metal ion through N2S3 donor atoms. The molar conductance value of Ni(II), and Cu(II) complexes in DMSO corresponded to their electrolytic behavior. On the basis of spectral study, octahedral and tetragonal geometry was assigned for Ni(II) and Cu(II) complexes, respectively. In vitro fungicidal study of ligand and its complexes was investigated against fungi Candida albicans, Candida parapsilosis, Candidia krusei, and Candida tropicalis by means of well diffusion method.

13. Positron beam studies of transients in semiconductors

Beling, C. D.; Ling, C. C.; Cheung, C. K.; Naik, P. S.; Zhang, J. D.; Fung, S.

2006-02-01

Vacancy-sensing positron deep level transient spectroscopy (PDLTS) is a positron beam-based technique that seeks to provide information on the electronic ionization levels of vacancy defects probed by the positron through the monitoring of thermal transients. The experimental discoveries leading to the concept of vacancy-sensing PDLTS are first reviewed. The major problem associated with this technique is discussed, namely the strong electric fields establish in the near surface region of the sample during the thermal transient which tend to sweep positrons into the contact with negligible defect trapping. New simulations are presented which suggest that under certain conditions a sufficient fraction of positrons may be trapped into ionizing defects rendering PDLTS technique workable. Some suggestions are made for techniques that might avoid the problematic electric field problem, such as optical-PDLTS where deep levels are populated using light and the use of high forward bias currents for trap filling.

14. Measuring positron-atom binding energies through laser-assisted photo-recombination

Surko, C. M.; Danielson, J. R.; Continetti, R. E.; Gribakin, G. F.

2013-05-01

Trap-based positron beams are important for a range of atomic physics experiments. They have, for example, enabled the measurement of positron binding energies for over 60 molecules to date. However, in spite of numerous, accurate theoretical predictions, there have been no experiments to study positron attachment to atoms, due primarily to the difficulty of forming these attached states in two-body collisions. Described here is the proposal for an experiment to use laser-assisted photo-recombination (LAPR) of positrons and metal atoms in the vapor phase to study positron binding to atoms. This experiment relies on the development of a new hot-cell apparatus to provide a collision chamber for metal vapors. Signal rates are estimated for zinc atoms using 0 . 35 eV photons. Important facets of the design of the experiment are based upon experience studying resonant annihilation spectra of molecules using a trapped based beam. Work supported by NSF grant PHY 10-68023.

15. Metalloprotein-inhibitor binding: Human carbonic anhydrase II as a model for probing metal-ligand interactions in a metalloprotein active site

PubMed Central

Martin, David P.; Hann, Zachary S.; Cohen, Seth M.

2013-01-01

An ever increasing number of metalloproteins are being discovered that play essential roles in physiological processes. Inhibitors of these proteins have significant potential for the treatment of human disease, but clinical success of these compounds has been limited. Herein, Zn(II)-dependent metalloprotein inhibitors in clinical use are reviewed, and the potential for using novel metal-binding groups (MBGs) in the design of these inhibitors is discussed. By using human carbonic anhydrase II (hCAII) as a model system, the nuances of MBG-metal interactions in the context of a protein environment can be probed. Understanding how metal coordination influences inhibitor binding may help in the design new therapeutics targeting metalloproteins. PMID:23706138

16. Sonochemical temperature controlled synthesis of pellet-, laminate- and rice grain-like morphologies of a Cu(II) porous metal-organic framework nano-structures.

PubMed

Mehrani, Azadeh; Morsali, Ali; Hanifehpour, Younes; Joo, Sang Woo

2014-07-01

Nano-structures of the Cu(II) metal-organic framework, {Cu(BDT)(DMF)·CH3OH·0.25DMF}n (1), which BDT(2-) is 1,4-benzeneditetrazolate, have been synthesized by the reaction of H2BDT with Cu(NO3)2·6H2O via ultrasonic irradiation in three different temperatures, which causes different morphologies. The products were characterized by IR spectroscopy, elemental analysis, scanning electron microscopy and X-ray powder diffraction. This study demonstrates that sonochemistry is a suitable method for preparation of metal-organic framework nano-structures and temperature is an effective parameter on morphologies of Cu(II) metal-organic framework nano-structures.

17. Positron Annihilation Ratio Spectroscopy (PsARS) Applied to Positronium Formation Studies

DTIC Science & Technology

2010-03-01

experimentation within the chemical hood, and Lt. Nick Herr for sharing his hard earned expertise on the AFM machine. I would also like to especially...Positrons in Metals. Hodges , Stott. 1, s.l. : Physical Review B, Vol. 7. 21. Experimental studies on positronium negative ions. Nagashima. s.l

18. Next Generation Metallic Iron Nodule Technology in Electric Arc Steelmaking - Phase II

SciTech Connect

Donald R. Fosnacht; Iwao Iwasaki; Richard F. Kiesel; David J. Englund; David W. Hendrickson; Rodney L. Bleifuss

2010-12-22

The current trend in the steel industry is a gradual decline in conventional steelmaking from taconite pellets in blast furnaces, and an increasing number of alternative processes using metallic scrap iron, pig iron and metallized iron ore products. Currently, iron ores from Minnesota and Michigan are pelletized and shipped to the lower Great Lakes ports as blast furnace feed. The existing transportation system and infrastructure is geared to handling these bulk materials. In order to expand the opportunities for the existing iron ore mines beyond their blast furnace customer base, a new material is needed to satisfy the needs of the emerging steel industry while utilizing the existing infrastructure and materials handling. A recent commercial installation employing Kobe Steel’s ITmk3 process, was installed in Northeastern Minnesota. The basic process uses a moving hearth furnace to directly reduce iron oxides to metallic iron from a mixture of iron ore, coals and additives. The resulting products can be shipped using the existing infrastructure for use in various steelmaking processes. The technology reportedly saves energy by 30% over the current integrated steelmaking process and reduces emissions by more than 40%. A similar large-scale pilot plant campaign is also currently in progress using JFE Steel’s Hi-QIP process in Japan. The objective of this proposal is to build upon and improve the technology demonstrated by Kobe Steel and JFE, by further reducing cost, improving quality and creating added incentive for commercial development. This project expands previous research conducted at the University of Minnesota Duluth’s Natural Resources Research Institute and that reported by Kobe and JFE Steel. Three major issues have been identified and are addressed in this project for producing high-quality nodular reduced iron (NRI) at low cost: (1) reduce the processing temperature, (2) control the furnace gas atmosphere over the NRI, and (3) effectively use sub

19. Structure-based differences between the metal ion selectivity of two siderophores desferrioxamine B (DFB) and desferricoprogen (DFC): why DFC is much better Pb(II) sequestering agent than DFB?

PubMed

Farkas, Etelka; Bátka, Dávid; Kremper, Georgina; Pócsi, István

2008-08-01

Complexation of desferrioxamine B (DFB) and desferricoprogen (DFC) with Cd(II) and Pb(II) toxic ions as well as complexation of DFC with Ca(II) and Mg(II) essential metals have been investigated and the results have been compared to those with other metal ions. The two siderophores have moderate Cd(II)-binding ability, but both, and especially DFC, bind Pb(II) in high stability complexes. Surprisingly, significant differences exist between Pb(II)-complexation of DFB and DFC. Namely, a maximum of two hydroxamate groups of a DFB coordinate to a Pb(II) ion, the third one binds to another metal ion with high preference and the formation of a trinuclear species, [Pb(3)(DFBH)(2)](2+), is predominant even at 1:1 metal to ligand ratio in this system. On the contrary, DFC forms mononuclear complex, [ML], with much higher stability and the formation of the trinuclear complex is negligible compared to DFB. The 6s(2) electron-pair of Pb(II), which remains always inert during complexation with hydroxamic acids and also with DFB, seems to become active in the DFC complexes (due to the effect of the double bonds in beta-position to each hydroxamate), what, at least in some extent, allows the coordination of all the three hydroxamates of DFC to the same Pb(II) ion. This way of interaction (unique with a hydroxamate-based compound) results in significant stability increase, and, as a consequence, DFC is much better Pb(II)-chelating agent than DFB. Although DFC forms unexpectedly high stability complexes with Mg(II) compared to Ca(II), but even Mg(II), compared to many other metals, is not an efficient DFC-binding metal. Therefore, any sequestration of this biologically very important metal is not likely from a living organism by DFC.

20. Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.

PubMed

Mahmudov, Kamran T; Kopylovich, Maximilian N; Sabbatini, Alessandra; Drew, Michael G B; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J L

2014-09-15

New (E/Z)-2-(2-(1-cyano-2-methoxy-2-oxoethylidene)hydrazinyl)benzoic acid (H2L(4)) and known sodium 2-(2-(dicyanomethylene)hydrazinyl)benzenesulfonate (NaHL(1)), 2-(2-(dicyano-methylene)hydrazinyl)benzoic acid (H2L(2)), and sodium (E/Z)-2-(2-(1-cyano-2-methoxy-2-oxoethylidene)hydrazinyl)benzenesulfonate (NaHL(3)) were used in the template synthesis of a series of Cu(II) and Co(II) complexes [Cu(H2O)2L(1a)]·H2O (1), [Cu(H2O)(3-pyon)L(1b)]·H2O (2), [Cu(H2O)(4-pyon)L(1b)] (3), [Co(H2O)((CH3)2NCHO)(μ-L(2a))]2·(CH3)2NCHO (4), [Cu3(μ3-OH)(NO3)(CH3OH)(μ2-X)3(μ2-HL(3))] (5), [Cu(H2O)(py)L(3)]·H2O (6), [Cu(H2O)2(μ-L(4))]6·6H2O (7), [Cu(2-cnpy(b))2(L(1b))2]·2H2O (8), [Cu(2-cnpy(a))2(L(1a))2]·2H2O (9), and [Cu(H2O)(4-cnpy)(L(1a))2] (10), where 3-pyon = 1-(pyridin-3-yl)ethanone, 4-pyon = 1-(pyridin-4-yl)ethanone, py = pyridine, HX = syn-2-pyridinealdoxime, 4-cnpy = 4-cyanopyridine; 2-cnpy(a), 2-cnpy(b), L(1a), L(1b), L(2a) are the ligands derived from nucleophilic attack of methanol (a) or water (b) on a cyano group of 2-cyanopyridine (2-cnpy), L(1) or L(2), respectively, giving the corresponding iminoesters (2-cnpy(a), L(1a) or L(2a)) or carboxamides (2-cnpy(b) or L(1b)). An auxiliary ligand, namely syn-2-pyridinealdoxime or pyridine, acting cooperatively with the metal ion (Cu(II) in this case), induced an E/Z isomerization of the H2L(4) ligand; the E- and Z-isomers were isolated separately and fully characterized (compounds 9 and 10, respectively). A one-pot activation of nitrile groups in different molecules was achieved in the syntheses of 8 and 9. Complexes 1-10 are catalyst precursors for the solvent-free microwave (MW)-assisted selective oxidation of secondary alcohols to the corresponding ketones, with typical yields in the 29-99% range (TOFs up to 4.94 × 10(3) h(-1)) after 30 min of MW irradiation.

1. A novel three-dimensional CdII metal-organic framework based on [Cd6(malonate)6] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-μ3-malonato-cadmium(II)].

PubMed

Yuan, Shuai; Liu, Mei-Jiao; Xie, Han-Yi; Xu, Meng-Zhen; Sun, Di

2012-03-01

A novel Cd(II) metal-organic framework, [Cd(C(3)H(2)O(4))(NH(3))](n), was synthesized by liquid diffusion conducted in the presence of ammonia. The Cd(II) atom has seven-coordinate O(6)N pentagonal-bipyramidal geometry. Six Cd(II) centers are joined by six malonate ligands to form an S(6)-symmetric [Cd(6)(malonate)(6)] metallomacrocycle, which is further extended through a side-on chelating malonate ligand to form a three-dimensional network. Topologically, each Cd(II) center is connected to four others to yield an infinite three-periodic four-coordinated SOD (sodalite) network with point symbol {4(2)·6(4)}. The overall network structure in the crystal is maintained and stabilized by the presence of N-H...O hydrogen bonds.

2. Spectral and thermal studies of solid-phase thermochromism of Co(II) double metal complexes

AL-Sha'alan, Noura H.

2007-09-01

Tetrahedral solid state structures of the blue potassium tris(aryloxo)cobaltate(II)-tetrahydrofurane complexes of the formula KCo(OAr) 3·2thf (OAr = o-chloro-, o-bromo-, m-chloro-, p-bromo, 2,6-dichloro-, 2,4-dichloro- or 2,4-dimethylphenoxide) undergo solid-phase thermal tetrahedral to octahedral transformation accompanied by change in their colours from blue to rose (one-step thermochromism). Magnetic moments, electronic and infrared spectral studies supported these results. Thermal treatment of theses complexes leads to the loss of the crystallized thf molecule yielding also blue tetrahedral complexes. However, further heating leads to the loss of the coordinated thf molecule and the formation of rose octahedral trimeric products. TG-DTA results showed that the, two solvated thf molecules were eliminated in two steps. Mass spectral studies and IR intensity measurements confirmed the trimeric behaviour of the rose octahedral geometry of thermal products. Conductance measurements of solutions of these complexes in thf indicated that they behave as non-electrolytes.

3. Tunable anisotropic thermal expansion of a porous zinc(II) metal-organic framework.

PubMed

Grobler, Ilne; Smith, Vincent J; Bhatt, Prashant M; Herbert, Simon A; Barbour, Leonard J

2013-05-01

A novel three-dimensional metal-organic framework (MOF) that displays anisotropic thermal expansion has been prepared and characterized by single-crystal X-ray diffraction (SCD) and thermal analysis. The as-prepared MOF has one-dimensional channels containing guest molecules that can be removed and/or exchanged for other guest molecules in a single-crystal to single-crystal fashion. When the original guest molecules are replaced there is a noticeable effect on the host mechanics, altering the thermal expansion properties of the material. This study of the thermal expansion coefficients of different inclusion complexes of the host MOF involved systematic alteration of guest size, i.e., methanol, ethanol, n-propanol, and isopropanol, showing that fine control over the thermal expansion coefficients can be achieved and that the coefficients can be correlated with the size of the guest. As a proof of concept, this study demonstrates the realizable principle that a single-crystal material with an exchangeable guest component (as opposed to a composite) may be used to achieve a tunable thermal expansion coefficient. In addition, this study demonstrates that greater variance in the absolute dimensions of a crystal can be achieved when one has two variables that affect it, i.e., the host-guest interactions and temperature.

4. Synthesis, characterization and in vitro inhibition of metal complexes of pyrazole based sulfonamide on human erythrocyte carbonic anhydrase isozymes I and II.

PubMed

Büyükkıdan, Nurgün; Büyükkıdan, Bülent; Bülbül, Metin; Kasımoğulları, Rahmi; Mert, Samet

2017-12-01

Sulfonamides represent an important class of biologically active compounds. A sulfonamide possessing carbonic anhydrase (CA) inhibitory properties obtained from a pyrazole based sulfonamide, ethyl 1-(3-nitrophenyl)-5-phenyl-3-((5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl)-1H-pyrazole-4-carboxylate (1), and its metal complexes with the Ni(II) for (2), Cu(II) for (3) and Zn(II) for (4) have been synthesized. The structures of metal complexes (2-4) were established on the basis of their elemental analysis, (1)H NMR, IR, UV-Vis and MS spectral data. The inhibition of two human carbonic anhydrase (hCA, EC 4.2.1.1) isoenzymes I and II, with 1 and synthesized complexes (2-4) and acetazolamide (AAZ) as a control compound was investigated in vitro by using the hydratase and esterase assays. The complexes 2, 3 and 4 showed inhibition constant in the range 0.1460-0.3930 µM for hCA-I and 0.0740-0.0980 µM for hCA-II, and they had effective more inhibitory activity on hCA-I and hCA-II than corresponding free ligand 1 and than AAZ.

5. Evidence for a significant mixture of electron/positron pairs in FRII jets constrained by cocoon dynamics

Kawakatu, Nozomu; Kino, Motoki; Takahara, Fumio

2016-03-01

We examine the plasma composition of relativistic jets in four Fanaroff-Riley type II (FRII) radio galaxies by analysing the total cocoon pressure in terms of partial pressures of thermal and non-thermal electrons/positrons and protons. The total cocoon pressure is determined by cocoon dynamics via comparison of theoretical model with the observed cocoon shape. By inserting the observed number density of non-thermal electrons/positrons and the upper limit of thermal electron/positron number density into the equation of state, the number density of protons is constrained. We apply this method to four FRII radio galaxies (Cygnus A, 3C 219, 3C 223 and 3C 284), for which the total cocoon pressures have been already evaluated. We find that the positron-free plasma comprising protons and electrons is ruled out, when we consider plausible particle distribution functions. In other words, the mixture of positrons is required for all four FRII radio galaxies; the number density ratio of electrons/positrons to protons is larger than 2. Thus, we find that the plasma composition is independent of the jet power and the size of cocoons. We also investigate the additional contribution of thermal electrons/positrons and protons on the cocoon dynamics. When thermal electrons/positrons are absent, the cocoon is supported by the electron/proton plasma pressure, while both electron/positron pressure supported and electron/proton plasma pressure supported cocoons are allowed if the number density of thermal electrons/positrons is about 10 times larger than that of non-thermal ones.

6. Bio-sensitive activities of coordination compounds containing 1,10-phenanthroline as co-ligand: Synthesis, structural elucidation and DNA binding properties of metal(II) complexes

Raman, Natarajan; Mahalakshmi, Rajkumar; Mitu, Liviu

2014-10-01

Present work reports the DNA binding and cleavage characteristics of a series of mixed-ligand complexes having the composition [M(L)(phen)2]Cl2 (where M = Cu(II), Ni(II), Co(II) and Zn(II) and phen as co-ligand) in detail. Their structural features and other properties have been deduced from their elemental analyses, magnetic susceptibility and molar conductivity as well as from IR, UV-Vis, 1H NMR and EPR spectral studies. The UV-Vis, magnetic susceptibility and EPR spectral data of metal complexes suggest an octahedral geometry. The binding properties of these complexes with calf thymus DNA (CT-DNA) have been explored using electronic absorption spectroscopy, viscosity measurement, cyclic voltammetry and differential pulse voltammetry. The DNA-binding constants for Cu(II), Ni(II), Co(II), and Zn(II) complexes are 6.14 × 105 M-1, 1.8 × 105 M-1, 6.7 × 104 M-1 and 2.5 × 104 M-1 respectively. Detailed analysis reveals that these complexes interact with DNA through intercalation binding. Nuclease activity has also been investigated by gel electrophoresis. Moreover, the synthesized Schiff base and its mixed-ligand complexes have been screened for antibacterial and antifungal activities. The data reveal that the complexes exhibit higher activity than the parent ligand.

7. Bio-sensitive activities of coordination compounds containing 1,10-phenanthroline as co-ligand: synthesis, structural elucidation and dna binding properties of metal(II) complexes.

PubMed

Raman, Natarajan; Mahalakshmi, Rajkumar; Mitu, Liviu

2014-10-15

Present work reports the DNA binding and cleavage characteristics of a series of mixed-ligand complexes having the composition [M(L)(phen)2]Cl2 (where M=Cu(II), Ni(II), Co(II) and Zn(II) and phen as co-ligand) in detail. Their structural features and other properties have been deduced from their elemental analyses, magnetic susceptibility and molar conductivity as well as from IR, UV-Vis, (1)H NMR and EPR spectral studies. The UV-Vis, magnetic susceptibility and EPR spectral data of metal complexes suggest an octahedral geometry. The binding properties of these complexes with calf thymus DNA (CT-DNA) have been explored using electronic absorption spectroscopy, viscosity measurement, cyclic voltammetry and differential pulse voltammetry. The DNA-binding constants for Cu(II), Ni(II), Co(II), and Zn(II) complexes are 6.14×10(5)M(-1), 1.8×10(5)M(-1), 6.7×10(4)M(-1) and 2.5×10(4)M(-1) respectively. Detailed analysis reveals that these complexes interact with DNA through intercalation binding. Nuclease activity has also been investigated by gel electrophoresis. Moreover, the synthesized Schiff base and its mixed-ligand complexes have been screened for antibacterial and antifungal activities. The data reveal that the complexes exhibit higher activity than the parent ligand.

8. Spin Forming Aluminum Crew Module (CM) Metallic Aft Pressure Vessel Bulkhead (APVBH) - Phase II

NASA Technical Reports Server (NTRS)

Hoffman, Eric K.; Domack, Marcia S.; Torres, Pablo D.; McGill, Preston B.; Tayon, Wesley A.; Bennett, Jay E.; Murphy, Joseph T.

2015-01-01

9. Spin Forming Aluminum Crew Module (CM) Metallic Aft Pressure Vessel Bulkhead (APVBH) - Phase II

NASA Technical Reports Server (NTRS)

Hoffman, Eric K.; Domack, Marcia S.; Torres, Pablo D.; McGill, Preston B.; Tayon, Wesley A.; Bennett, Jay E.; Murphy, Joseph T.

2015-01-01

10. Land application of chemically treated sewage sludge. II. Effects on soil and plant heavy metal content

SciTech Connect

Soon, Y.K.; Bates, T.E.; Moyer, J.R.

1980-07-01

Anaerobically digested sewage sludges resulting from treatment of sewage with Ca(OH)/sub 2/, Al/sub 2/(SO/sub 4/)/sub 3/, or FeCl/sub 3/ for phosphorus precipitation were applied to corn (Zea mays L.) and bromegrass (Bromus inermis Leyess) grown on a soil having an initial pH of 7.3. Rates of sludge supplied 200, 400, 800, and and 1,600 kg N/ha each year for 5 years. Treatments with NH/sub 4/NO/sub 3/ supplying 0, 100, 20, and 400 kg N/ha were included for comparison. Plant tissue was analyzed for Cu, Zn, Mn, Cd, Ni, Cr, and Pb. No toxicity or deficiency symptoms were noted. Soil Zn, Cd, and Ni extracted by NTA (nitrilotriacetic acid) were increased by continued sludge application. The NTA-extractable Zn and Cd were positively correlated with the Zn and Cd concentrations in corn stover. Soil pH was reduced by the Fe-sludge application, slightly affected by the Al-sludge, and increased by the Ca-sludge. Increases in Cu concentrations in bromegrass and corn stover were associated with increases in the N content rather than the source of N, and plant Cu concentrations remained relatively constant across years. Sewage sludge application increased Zn, Cd, and Ni concentrations in bromegrass and corn stover, and Zn and Ni concentrations in corn grain, particularly at the higher metal loadings from sludge application. Zinc and Cd concentrations, especially in corn stover, increased with continued sludge application during the 5-year period. The inclusion of soil pH as a factor, in addition to cummulative amounts of Zn or Cd added as a constituent of sludge, improved the regression equations predicting Zn or Cd uptake.

11. A liquid metal-based structurally embedded vascular antenna: II. Multiobjective and parameterized design exploration

Hartl, D. J.; Frank, G. J.; Malak, R. J.; Baur, J. W.

2017-02-01

Research on the structurally embedded vascular antenna concept leverages past efforts on liquid metal (LM) reconfigurable electronics, microvascular composites, and structurally integrated and reconfigurable antennas. Such a concept has potential for reducing system weight or volume while simultaneously allowing in situ adjustment of resonant frequencies and/or changes in antenna directivity. This work considers a microvascular pattern embedded in a laminated composite and filled with LM. The conductive liquid provides radio frequency (RF) functionality while also allowing self-cooling. Models describing RF propagation and heat transfer, in addition to the structural effects of both the inclusion of channels and changes in temperature, were described in part 1 of this two-part work. In this part 2, the engineering models developed and demonstrated in part 1 toward the initial exploration of design trends are implemented into multiple optimization frameworks for more detailed design studies, one of which being novel and particularly applicable to this class of problem. The computational expense associated with the coupled multiphysical analysis of the structurally embedded LM transmitting antenna motivates the consideration of surrogate-based optimization methods. Both static and adaptive approaches are explored; it is shown that iteratively correcting the surrogate leads to more accurate optimized design predictions. The expected strong dependence of antenna performance on thermal environment motivates the consideration of a novel ‘parameterized’ optimization approach that simultaneously calculates whole families of optimal designs based on changes in design or operational variables generally beyond the control of the designer. The change in Pareto-optimal response with evolution in operating conditions is clearly demonstrated.

12. Communication: Photoactivation of nucleobase bound platinum{sup II} metal complexes: Probing the influence of the nucleobase

SciTech Connect

Sen, Ananya; Dessent, Caroline E. H.

2014-12-28

We present UV laser action spectra (220-300 nm) of isolated nucleobase-bound Pt{sup II}(CN){sub 4}{sup 2−} complexes, i.e., Pt(CN){sub 4}{sup 2−}⋅M, where M = uracil, thymine, cytosine, and adenine. These metal complex-nucleobase clusters represent model systems for identifying the fundamental photophysical and photochemical processes occurring in photodynamic platinum (II) drug therapies that target DNA. This is the first study to explore the specific role of the nucleobase in the photophysics of the aggregate complex. Each of the complexes studied displays a broadly similar absorption spectra, with a strong λ{sub max} ∼ 4.7 eV absorption band (nucleobase localized chromophore) and a subsequent increase in the absorption intensity towards higher spectral-energy (Pt(CN){sub 4}{sup 2−} localized chromophore). However, strikingly different band widths are observed across the series of complexes, decreasing in the order Pt(CN){sub 4}{sup 2−}⋅Thymine > Pt(CN){sub 4}{sup 2−}⋅Uracil > Pt(CN){sub 4}{sup 2−}⋅Adenine > Pt(CN){sub 4}{sup 2−}⋅Cytosine. Changes in the bandwidth of the ∼4.7 eV band are accompanied by distinctive changes in the photofragment product ions observed following photoexcitation, with the narrower-bandwidth complexes showing a greater propensity to decay via electron detachment decay. We discuss these observations in the context of the distinctive nucleobase-dependent excited state lifetimes.

13. Application of mechanosynthesized azine-decorated zinc(II) metal-organic frameworks for highly efficient removal and extraction of some heavy-metal ions from aqueous samples: a comparative study.

PubMed

2015-01-20

The three zinc(II) metal-organic frameworks [Zn2(oba)2(4-bpdb)]·(DMF)x (TMU-4), [Zn(oba)(4-bpdh)0.5]n·(DMF)y (TMU-5), and [Zn(oba)(4-bpmb)0.5]n·(DMF)z (TMU-6) [DMF = dimethylformamide, H2oba = 4,4'-oxybisbenzoic acid, 4-bpdb = 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene, 4-bpdh = 2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene, and 4-bpmb = N(1),N(4)-bis((pyridin-4-yl)methylene)benzene-1,4-diamine], which contain azine-functionalized pores, have been successfully synthesized by mechanosynthesis as a convenient, rapid, low-cost, solventless, and green process. These MOFs were studied for the removal and extraction of some heavy-metal ions from aqueous samples, and the effects of the basicity and void space of these MOFs on adsorption efficiency were evaluated. The results showed that, for trace amounts of metal ions, the basicity of the N-donor ligands in the MOFs determines the adsorption efficiency of the MOFs for the metal ions. In contrast, at high concentrations of metal ions, the void space of the MOFs plays a main role in the adsorption process. The studies conducted revealed that, among the three MOFs, TMU-6 had a lower adsorption efficiency for metal ions than the other two MOFs. This result can be attributed to the greater basicity of the azine groups on the TMU-4 and TMU-5 pore walls as compared to the imine groups on the N-donor ligands on the TMU-6 pore walls. Subsequently, TMU-5 was chosen as an efficient sorbent for the extraction and preconcentration of trace amounts of some heavy-metal ions including Cd(II), Co(II), Cr(III), Cu(II), and Pb(II), followed by their determination by flow injection inductively coupled plasma optical emission spectrometry. Several variables affecting the extraction efficiency of the analytes were investigated and optimized. The optimized methodology exhibits a good linearity between 0.05 and 100 μg L(-1) (R(2) > 0.9935) and detection limits in the range of 0.01-1.0 μg L(-1). The method has enhancement factors between 42

14. Positron emission tomography: An overview

PubMed Central

Shukla, A. K.; Kumar, Utham

2006-01-01

The rate of glucose utilization in tumor cells is significantly enhanced as compared to normal cells and this biochemical characteristic is utilized in PET imaging using FDG as a major workhorse. The PET systems as well as cyclotrons producing positron emitting radiopharmaceuticals have undergone continuous technological refinements. While PET (CT) systems enable fusion images as well as precise attenuation correction, the self-shielded cyclotrons developed provide dedicated systems for in-house production of a large number of PET radiopharmaceuticals. The application of PET images in oncology includes those of pulmonary, colorectal, breast, lymphoma, head & neck, bone, ovarian and GI cancers. The PET has been recognized as promising diagnostic tool to predict biological and physiological changes at the molecular level and hence offer a potential area for future applications including Stem Cell research. PMID:21206635

15. Positron emission tomography wrist detector

DOEpatents

Schlyer, David J.; O'Connor, Paul; Woody, Craig; Junnarkar, Sachin Shrirang; Radeka, Veljko; Vaska, Paul; Pratte, Jean-Francois

2006-08-15

A method of serially transferring annihilation information in a compact positron emission tomography (PET) scanner includes generating a time signal representing a time-of-occurrence of an annihilation event, generating an address signal representing a channel detecting the annihilation event, and generating a channel signal including the time and address signals. The method also includes generating a composite signal including the channel signal and another similarly generated channel signal concerning another annihilation event. An apparatus that serially transfers annihilation information includes a time signal generator, address signal generator, channel signal generator, and composite signal generator. The time signal is asynchronous and the address signal is synchronous to a clock signal. A PET scanner includes a scintillation array, detection array, front-end array, and a serial encoder. The serial encoders include the time signal generator, address signal generator, channel signal generator, and composite signal generator.

16. Discrete Silver(I)-Palladium(II)-Oxo Nanoclusters, {Ag4 Pd13 } and {Ag5 Pd15 }, and the Role of Metal-Metal Bonding Induced by Cation Confinement.

PubMed

Yang, Peng; Xiang, Yixian; Lin, Zhengguo; Lang, Zhongling; Jiménez-Lozano, Pablo; Carbó, Jorge J; Poblet, Josep M; Fan, Linyuan; Hu, Changwen; Kortz, Ulrich

2016-12-19

We introduce the class of discrete silver(I)-palladium(II)-oxo nanoclusters with the preparation of {Ag4 Pd13 } and {Ag5 Pd15 }. Both polyanions represent the first examples of noble metal-capped polyoxo-noble-metalates in a fully inorganic assembly, featuring an unprecedented host-guest mode containing hetero- and homometallic Ag-Pd and Ag-Ag bonding interactions. Comprehensive theoretical calculations suggest that the Ag-Pd metallic bonds originate partially from surface confinement of Ag(I) guest ions onto the anionic polyoxopalladate host that is induced by strong electrostatic forces. This work opens the field of fully inorganic silver-palladium-oxo nanoclusters, which can be considered as discrete mixed noble metal precursors for the formation of monodisperse core-shell nanoparticles, with high relevance for catalysis.

17. Visible and dark matter genesis and cosmic positron and electron excesses

SciTech Connect

Gu Peihong; Sarkar, Utpal; Zhang Xinmin

2009-10-01

Dark and baryonic matter contribute comparable energy density to the present universe. The dark matter may also be responsible for the cosmic positron and electron excesses. We connect these phenomena with the Dirac seesaw for neutrino masses. In our model (i) the dark matter relic density is a dark matter asymmetry generated simultaneously with the baryon asymmetry so that we can naturally understand the coincidence between the dark and baryonic matter and (ii) the dark matter mostly decays into the leptons so that its decay can interpret the anomalous cosmic rays with positron and electron excesses.

18. Multimode vibrational couplings in resonant positron annihilation.

PubMed

d'A Sanchez, Sergio; Lima, Marco A P; Varella, Márcio T do N

2011-09-02

The mechanisms for multimode vibrational couplings in resonant positron annihilation are not well understood. We show that these resonances can arise from positron-induced distortions of the potential energy surface (target response to the positron field). Though these distortions can transfer energy into single- and multiquantum vibrations, they have so far been disregarded as a pathway to resonant annihilation. We also compare the existing annihilation theories and show that the currently accepted model can be cast as a special case of the Feshbach annihilation theory.

19. Prototyping of the ILC Baseline Positron Target

SciTech Connect

Gronberg, J; Brooksby, C; Piggott, T; Abbott, R; Javedani, J; Cook, E

2012-02-29

The ILC positron system uses novel helical undulators to create a powerful photon beam from the main electron beam. This beam is passed through a titanium target to convert it into electron-positron pairs. The target is constructed as a 1 m diameter wheel spinning at 2000 RPM to smear the 1 ms ILC pulse train over 10 cm. A pulsed flux concentrating magnet is used to increase the positron capture efficiency. It is cooled to liquid nitrogen temperatures to maximize the flatness of the magnetic field over the 1 ms ILC pulse train. We report on prototyping effort on this system.

20. Role of the crystal field stabilization energy in the formation of metal(II) formate mixed crystals

Balarew, Christo; Stoilova, Donka; Vassileva, Violeta

A relationship between the distribution coefficient values and the factors determining the isomorphous substitution of some metal(II) formates (Mg, Mn, Fe, Co, Ni, Cu, Zn, Cd) has been found, given by D=[exp⁡{aṡf[ΔR/R]+bṡϕ(Δɛ)+cṡψ(Δs)}/{RT}, where Δ R/R is the relative difference in the ionic radii of the intersubstituting ions, Δɛ is the difference in the Me sbnd O bond energy, Δ s is the difference in the crystal field stabilization energy. The pre-exponential term represents the balance in bonding factors between the ions in the crystal and in the aqueous solution, in the case of ideally mixing in the solid state. The exponential term takes into account the enthalpy of mixing in the solid state. For the isostructural formate salts in which the substitution of a given cation by another one occurs in equivalent octahedral positions, the difference in the crystal field stabilization energy exerts the most important influence on the enthalpy of mixing.

1. Supergiants and the Galactic metallicity gradient. II - Spectroscopic abundances for 64 distant F- to M-type supergiants

Luck, R. Earle; Bond, Howard E.

1989-11-01

The metallicity gradient in the Galactic disk from in situ stars with visual magnitude ranging from 6 to 10 is analyzed. Atmospheric parameters and detailed chemical abundances for 64 Population I supergiants of spectral types F through M and luminosity classes Ia through II have been determined. The derived Fe/H ratios ranging from -0.5 to + 0.7 show a mean value of +0.13 with an estimated uncertainty of + or - 0.2. A subset of 25 supergiants fainter than 7th magnitude lying in the direction of the Galactic center shows a Fe/H mean of +0.18 + or - 0.04, while a similar sample of 15 faint supergiants lying in the direction of the Galactic anticenter shows a lower Fe/H mean of +0.07 + or - 0.06. For a sample of bright supergiants analyzed by Luck and Lambert (1985), the mean abundance pattern for all 64 stars showed the following: deficient C and O along with enhancement of N, indicating mixing of CNO-cycled material to the stellar surfaces; an apparent Sr enhancement attributed to departures from LTE; and an essentially solar pattern of other chemical elements.

2. The Buffer-Gas Positron Accumulator and Resonances in Positron-Molecule Interactions

NASA Technical Reports Server (NTRS)

Surko, C.M.

2007-01-01

This is a personal account of the development of our buffer-gas positron trap and the new generation of cold beams that these traps enabled. Dick Drachman provided much appreciated advice to us from the time we started the project. The physics underlying trap operation is related to resonances (or apparent resonances) in positron-molecule interactions. Amusingly, experiments enabled by the trap allowed us to understand these processes. The positron-resonance "box score" to date is one resounding "yes," namely vibrational Feshbach resonances in positron annihilation on hydrocarbons; a "probably" for positron-impact electronic excitation of CO and NZ;an d a "maybe" for vibrational excitation of selected molecules. Two of these processes enabled the efficient operation of the trap, and one almost killed it in infancy. We conclude with a brief overview of further applications of the trapping technology discussed here, such as "massive" positron storage and beams with meV energy resolution.

3. Low-temperature CVD of iron, cobalt, and nickel nitride thin films from bis[di(tert-butyl)amido]metal(II) precursors and ammonia

SciTech Connect

Cloud, Andrew N.; Abelson, John R.; Davis, Luke M.; Girolami, Gregory S.

2014-03-15

Thin films of late transition metal nitrides (where the metal is iron, cobalt, or nickel) are grown by low-pressure metalorganic chemical vapor deposition from bis[di(tert-butyl)amido]metal(II) precursors and ammonia. These metal nitrides are known to have useful mechanical and magnetic properties, but there are few thin film growth techniques to produce them based on a single precursor family. The authors report the deposition of metal nitride thin films below 300 °C from three recently synthesized M[N(t-Bu){sub 2}]{sub 2} precursors, where M = Fe, Co, and Ni, with growth onset as low as room temperature. Metal-rich phases are obtained with constant nitrogen content from growth onset to 200 °C over a range of feedstock partial pressures. Carbon contamination in the films is minimal for iron and cobalt nitride, but similar to the nitrogen concentration for nickel nitride. X-ray photoelectron spectroscopy indicates that the incorporated nitrogen is present as metal nitride, even for films grown at the reaction onset temperature. Deposition rates of up to 18 nm/min are observed. The film morphologies, growth rates, and compositions are consistent with a gas-phase transamination reaction that produces precursor species with high sticking coefficients and low surface mobilities.

4. Synthesis of new piperazine derived Cu(II)/Zn(II) metal complexes, their DNA binding studies, electrochemistry and anti-microbial activity: validation for specific recognition of Zn(II) complex to DNA helix by interaction with thymine base.

PubMed

2009-06-01

New 3,4:9,10-dibenzo-2,11-dihydroxy-1,12-bispiperazine-5,8-dioxododecane complexes [C(24)H(36)N(4)O(6)Cu] (1), [C(24)H(32)N(4)O(4)Zn] (2) have been synthesized and characterized by elemental analysis, IR, NMR, Mass, EPR, UV-vis spectroscopy and molar conductance measurements. The complexes are non-ionic in nature and possess octahedral geometry around Cu(2+), Zn(2+) central metal ions. The binding studies of 1 and 2 with calf thymus DNA (CT-DNA) were investigated by UV-vis, fluorescence, cyclic voltammetery and viscosity measurements. The calculated binding constant K(b) for 1 and 2 obtained from UV-vis absorption studies was 7.6x10(3)M(-1), 80.8x10(4)M(-1), respectively. The intrinsic binding constants were also estimated to be 7.0x10(4)M(-1) and 7.53x10(5)M(-1) for 1 and 2, respectively by using emission titrations. These experimental results suggest that complexes are groove binders and interact to CT-DNA with different affinities. Both the complexes in presence and absence of CT-DNA show quasireversible wave corresponding to Cu(II)/Cu(I) and Zn(II)/Zn(I) redox couple. The changes in E(1/2), DeltaE, I(pa)/I(pc) ascertain the interaction of 1 and 2 with CT-DNA. Further, decrease in viscosity of CT-DNA with increasing concentration of complexes was observed. In vitro, antimicrobial activity against fungi A. brassicicola, A. niger and bacteria E. coli, P. aeruginosa of complexes were carried out, which indicate that complex 2 is more active against both fungal and bacterial strains as shown by % inhibition data.

5. DEPFET detectors for future electron-positron colliders

Marinas, C.

2015-11-01

The DEPFET Collaboration develops highly granular, ultra-thin pixel detectors for outstanding vertex reconstruction at future electron-positron collider experiments. A DEPFET sensor, by the integration of a field effect transistor on a fully depleted silicon bulk, provides simultaneous position sensitive detector capabilities and in pixel amplification. The characterization of the latest DEPFET prototypes has proven that a adequate signal-to-noise ratio and excellent single point resolution can be achieved for a sensor thickness of 50 micrometers. The close to final auxiliary ASICs have been produced and found to operate a DEPFET pixel detector of the latest generation with the required read-out speed. A complete detector concept is being developed for the Belle II experiment at the new Japanese super flavor factory. DEPFET is not only the technology of choice for the Belle II vertex detector, but also a prime candidate for the ILC. Therefore, in this contribution, the status of DEPFET R&D project is reviewed in the light of the requirements of the vertex detector at a future electron-positron collider.

6. Site-specific interactions of Cu(II) with alpha and beta-synuclein: bridging the molecular gap between metal binding and aggregation.

PubMed

Binolfi, Andrés; Lamberto, Gonzalo R; Duran, Rosario; Quintanar, Liliana; Bertoncini, Carlos W; Souza, Jose M; Cerveñansky, Carlos; Zweckstetter, Markus; Griesinger, Christian; Fernández, Claudio O

2008-09-03

The aggregation of alpha-synuclein (AS) is a critical step in the etiology of Parkinson's disease (PD) and other neurodegenerative synucleinopathies. Protein-metal interactions play a critical role in AS aggregation and might represent the link between the pathological processes of protein aggregation and oxidative damage. Our previous studies established a hierarchy in AS-metal ion interactions, where Cu(II) binds specifically to the protein and triggers its aggregation under conditions that might be relevant for the development of PD. In this work, we have addressed unresolved structural details related to the binding specificity of Cu(II) through the design of site-directed and domain-truncated mutants of AS and by the characterization of the metal-binding features of its natural homologue beta-synuclein (BS). The structural properties of the Cu(II) complexes were determined by the combined application of nuclear magnetic resonance, electron paramagnetic resonance, UV-vis, circular dichroism spectroscopy, and matrix-assisted laser desorption ionization mass spectrometry (MALDI MS). Two independent, noninteracting copper-binding sites with significantly different affinities for the metal ion were detected in the N-terminal regions of AS and BS. MALDI MS provided unique evidence for the direct involvement of Met1 as the primary anchoring residue for Cu(II) in both proteins. Comparative spectroscopic analysis of the two proteins allowed us to deconvolute the Cu(II) binding modes and unequivocally assign the higher-affinity site to the N-terminal amino group of Met1 and the lower-affinity site to the imidazol ring of the sole His residue. Through the use of competitive chelators, the affinity of the first equivalent of bound Cu(II) was accurately determined to be in the submicromolar range for both AS and BS. Our results prove that Cu(II) binding in the C-terminal region of synucleins represents a nonspecific, very low affinity process. These new insights into the

7. Solid Eu(III) complexes studied by positron annihilation, optical and Mössbauer spectroscopies: insights on the positronium formation mechanism.

PubMed

Fulgêncio, F; de Oliveira, F C; Ivashita, F F; Paesano, A; Windmöller, D; Marques-Netto, A; Magalhães, W F; Machado, J C

2012-06-15

In this work, positron annihilation lifetime (PALS), Doppler broadening annihilation radiation lineshape (DBARL), Mössbauer and optical spectroscopies measurements were performed in Eu(III) dipivaloylmetanate complex, Eu(dpm)(3), at 295 and 80 K. The Eu(dpm)(3) complex is not luminescent at 298 K and does not form positronium. On the other hand, it is highly luminescent at 80K, but still does not form positronium. The absence of positronium formation at 80K cannot be explained by a ligand/metal charge transfer process. We found strong evidences that the electronic delocalization does not occur at both temperatures. Despite the Mössbauer results being inconclusive regarding the Eu(III)/Eu(II) reduction hypothesis, previous results showing positronium formation in other Eu(III) complexes suggest that this process is not occurring. Thus, more studies are needed to explain the absence of positronium in Eu(III) complexes.

8. Solid Eu(III) complexes studied by positron annihilation, optical and Mössbauer spectroscopies: Insights on the positronium formation mechanism

Fulgêncio, F.; de Oliveira, F. C.; Ivashita, F. F.; Paesano, A.; Windmöller, D.; Marques-Netto, A.; Magalhães, W. F.; Machado, J. C.

In this work, positron annihilation lifetime (PALS), Doppler broadening annihilation radiation lineshape (DBARL), Mössbauer and optical spectroscopies measurements were performed in Eu(III) dipivaloylmetanate complex, Eu(dpm)3, at 295 and 80 K. The Eu(dpm)3 complex is not luminescent at 298 K and does not form positronium. On the other hand, it is highly luminescent at 80 K, but still does not form positronium. The absence of positronium formation at 80 K cannot be explained by a ligand/metal charge transfer process. We found strong evidences that the electronic delocalization does not occur at both temperatures. Despite the Mössbauer results being inconclusive regarding the Eu(III)/Eu(II) reduction hypothesis, previous results showing positronium formation in other Eu(III) complexes suggest that this process is not occurring. Thus, more studies are needed to explain the absence of positronium in Eu(III) complexes.

9. Dark matter with multiannihilation channels and the AMS-02 positron excess and antiproton data

Chen, Yu-Heng; Cheung, Kingman; Tseng, Po-Yan

2016-01-01

AMS-02 provided the unprecedented statistics in the measurement of the positron fraction from cosmic rays. That may offer a unique opportunity to distinguish the positron spectrum coming from various dark matter (DM) annihilation channels, if DM is the source of this positron excess. Therefore, we consider the scenario that the DM can annihilate into leptonic, quark, and massive gauge-boson channels simultaneously with floating branching ratios to test this hypothesis. We also study the impacts from MAX, MED, MIN, and DC diffusion models as well as from isothermal, NFW, and Einasto DM density profiles on our results. We found two parameter regions that can satisfy both AMS-02 e/+ e++e- and p ¯/p data sets at 95% C.L.: (i) under the NFW-MIN combination with Mχ⊂[10 ,30 ] TeV , and (ii) under the Einasto-DC combination with Mχ⊂[500 ,1500 ] GeV .

10. Positron annihilation spectroscopy on a beam of positrons the LEPTA facility

Ahmanova, E. V.; Eseev, M. K.; Kobets, A. G.; Meshkov, I. N.; Orlov, O. S.; Sidorin, A. A.; Siemek, K.; Horodek, P.

2016-12-01

The results and possibilities of the samples surfaces research by the Doppler method of positron annihilation spectroscopy (PAS) for a monochromatic beam of positrons at the LEPTA facility are presented in this paper. Method with high-resolution sensitivity to defects like vacancies and dislocations allows scanning of the surface and near-surface sample layers to a depth of several micrometers by the method of Doppler broadening of annihilation lines. The opportunities for the development of a PAS method based on the measurement of the positron lifetime in the sample irradiated by ordered flow of positrons from the injector of accelerator complex LEPTA at JINR are discussed.

11. A field-assisted moderator for low-energy positron beams

Beling, C. D.; Simpson, R. I.; Charlton, M.; Jacobsen, F. M.; Griffith, T. C.; Moriarty, P.; Fung, S.

1987-01-01

A new positron field-assisted (FA) moderator based on the drift of positrons across a cooled silicon crystal is proposed. Using estimates for both the β + implantation profile and attainable drift velocities, the efficiency of drift to a slow e+ emitting surface is calculated using a diffusion equation which incorporates terms describing positron drift and annihilation. It is conjectured that efficiencies of up to 10% can be achieved. The use of epitaxially grown metallic suicide contacts to facilitate the application of the electric field is described and the consequences of using such contacts are fully discussed. Applications of the FA transmission mode moderator described here to produce timed brightness enhanced beams are briefly discussed.

12. Novel method for stratum corneum pore size determination using positron annihilation lifetime spectroscopy.

PubMed

Itoh, Yoshiaki; Shimazu, Akira; Sadzuka, Yasuyuki; Sonobe, Takashi; Itai, Shigeru

2008-06-24

Positron annihilation lifetime spectroscopy (PALS) is a powerful tool for the investigation of microstructure. Three main classes of materials, metals, semiconductors and polymers, have been studied by using this technique. But, relatively few investigations have been performed in the biological sciences. PALS provides important information on pore properties and free volume at the molecular level. Our PALS study showed that Yucatan miniature pig stratum corneum separated with heat and trypsin digestion had a longer positron annihilation lifetime than cyclodextrins. This indicates that the stratum corneum has larger pores and/or free volume than cyclodextrins, whose pores have a diameter of 0.5-0.8 nm and a torus height of 0.79 nm. Positron annihilation spectroscopy may be developed as a new technique for the detection of nano-pore properties and free volume in the biological sciences.

13. Synthesis, crystal structures and characterization of three novel main group metal diphosphonate coordination polymers of Ca(II), Sr(II) and Pb(II) with 1-aminodiphosphonic acid

Lin, Lin; Zhang, Tian-Jiao; Fan, Yao-Ting; Ding, De-Gang; Hou, Hong-Wei

2007-06-01

Hydrothermal reactions of 1-aminoethylidenediphonic acid { CH 3C(NH 2)(PO 3H 2) 2, H 4aedp} with CaCl 2, Sr(NO 3) 2 and Pb(AC) 2·3H 2O resulted in three new main group metal diphosphonate coordination polymers. Namely, Ca[CH 3C(NH 3)(PO 3H) 2] 2[CH 3C(NH 3)(PO 3H)(PO 3H 2)] 2 ( 1), Sr[CH 3C(NH 2) (PO 3H) 2(H 2O)]·H 2O( 2) and Pb[CH 3C(NH 3)(PO 3H)(PO 3)]·H 2O( 3). The calcium (II) ion in complex 1 is octahedrally coordinated by six phosphonate oxygen atoms from six diphosphonate ligands, four of them in a bidentate and two in a monodentate fashion. The neighboring calcium ions are linked by pairs of P-O-P bridges, resulting in a pseudo-one-dimensional chain along the c axis. Complex 2 is the first example of the strontium phosphonate which has not been synthesized and structurally characterized before. It features a layered structure, in which strontium(II) ions are eight coordinated by an aqua ligand and seven phosphonate oxygen atoms from four diphosphonate ligands, two SrO 8 polyhedra are bridged into a demeric unit by a pair of oxygen atoms and two diphosphonate groups. And such dimers are interconnected by the P-O-P bridges and O bridges to form complicated layers parallel to the ab plane. Complex 3 also has a layered structure in which the lead (II) ions are six coordinated by six phosphonate oxygens from four equivalent diphosphonate ligands. Each pair of PbO 6 octahedra forms a dimeric unit via O-O edge-sharing and such dimeric units are interconnected via O-O edge-sharing to form a one-dimensional chain along the b-axis. These 1D chains are further bridged by the phosphonate ligands to form a complicated layer parallel to the bc plane. This type of layered structure has not been reported in other lead phosphonates.

14. Method of processing positron lifetime spectra

SciTech Connect

Valuev, N.P.; Klimov, A.B.; Zhikharev, A.N.

1985-05-01

This paper describes a method for the processing of spectra of positron annihilation which permits a much more relaible determination of the lifetime during numerical processing of spectra by computer.

15. Positron kinetics in an idealized PET environment

Robson, R. E.; Brunger, M. J.; Buckman, S. J.; Garcia, G.; Petrović, Z. Lj.; White, R. D.

2015-08-01

The kinetic theory of non-relativistic positrons in an idealized positron emission tomography PET environment is developed by solving the Boltzmann equation, allowing for coherent and incoherent elastic, inelastic, ionizing and annihilating collisions through positronium formation. An analytic expression is obtained for the positronium formation rate, as a function of distance from a spherical source, in terms of the solutions of the general kinetic eigenvalue problem. Numerical estimates of the positron range - a fundamental limitation on the accuracy of PET, are given for positrons in a model of liquid water, a surrogate for human tissue. Comparisons are made with the ‘gas-phase’ assumption used in current models in which coherent scattering is suppressed. Our results show that this assumption leads to an error of the order of a factor of approximately 2, emphasizing the need to accurately account for the structure of the medium in PET simulations.

16. Addiction Studies with Positron Emission Tomography

ScienceCinema

Joanna Fowler

2016-07-12

Brookhaven scientist Joanna Fowler describes Positron Emission Technology (PET) research at BNL which for the past 30 years has focused in the integration of basic research in radiotracer chemistry with the tools of neuroscience to develop new scientific

17. Addiction Studies with Positron Emission Tomography

SciTech Connect

Joanna Fowler

2008-10-13

Brookhaven scientist Joanna Fowler describes Positron Emission Technology (PET) research at BNL which for the past 30 years has focused in the integration of basic research in radiotracer chemistry with the tools of neuroscience to develop new scientific

18. Electric charges of positrons and antiprotons

SciTech Connect

Hughes, R.J. ); Deutch, B.I. )

1992-07-27

Tests of the electric charges carried by the positron and antiproton are derived from recent measurements of the cyclotron frequencies of these particles, and from the spectroscopy of exotic atoms in which they are constituents.

19. Electron and positron induced processes. POSMOL 2013

Limão-Vieira, Paulo; Campeanu, Radu; Hoshino, Masamitsu; Ingólfsson, Oddur; Mason, Nigel; Nagashima, Yasuyuki; Tanuma, Hajime

2014-09-01

POSMOL 2013, the international meeting on electron and positron induced processes comprising the XVII International Workshop on Low-Energy Positron and Positronium Physics and the XVIII International Symposium on Electron-Molecule Collisions and Swarms, was held at Kanazawa Bunka Hall, Kanazawa, Ishikawa, Japan, from 19-21 July 2013. The XVII Workshop encompassed all aspects of positron, positronium and antiproton interactions with electrons, atoms, molecules and solid surfaces, and topics related to these, whereas the XVIII Symposium encompassed all aspects of electron interactions with molecules in both gaseous and condensed phases. Particular topics include studies of electron interactions with biomolecules, electron induced surface chemistry and the study of plasma processes. Recent research on the study of electron swarms was also highlighted. Contribution to the Topical Issue "Electron and Positron Induced Processes", edited by Michael Brunger, Radu Campeanu, Masamitsu Hoshino, Oddur Ingólfsson, Paulo Limão-Vieira, Nigel Mason, Yasuyuki Nagashima and Hajime Tanuma.

20. Metal-drug synergy: new ruthenium(II) complexes of ketoconazole are highly active against Leishmania major and Trypanosoma cruzi and nontoxic to human or murine normal cells.

PubMed

Iniguez, Eva; Sánchez, Antonio; Vasquez, Miguel A; Martínez, Alberto; Olivas, Joanna; Sattler, Aaron; Sánchez-Delgado, Roberto A; Maldonado, Rosa A

2013-10-01

In our ongoing search for new metal-based chemotherapeutic agents against leishmaniasis and Chagas disease, six new ruthenium-ketoconazole (KTZ) complexes have been synthesized and characterized, including two octahedral coordination complexes-cis,fac-[Ru(II)Cl2(DMSO)3(KTZ)] (1) and cis-[Ru(II)Cl2(bipy)(DMSO)(KTZ)] (2) (where DMSO is dimethyl sulfoxide and bipy is 2,2'-bipyridine)-and four organometallic compounds-[Ru(II)(η(6)-p-cymene)Cl2(KTZ)] (3), [Ru(II)(η(6)-p-cymene)(en)(KTZ)][BF4]2 (4), [Ru(II)(η(6)-p-cymene)(bipy)(KTZ)][BF4]2 (5), and [Ru(II)(η(6)-p-cymene)(acac)(KTZ)][BF4] (6) (where en is ethylenediamine and acac is acetylacetonate); the crystal structure of 3 is described. The central hypothesis of our work is that combining a bioactive compound such as KTZ and a metal in a single molecule results in a synergy that can translate into improved activity and/or selectivity against parasites. In agreement with this hypothesis, complexation of KTZ with Ru(II) in compounds 3-5 produces a marked enhancement of the activity toward promastigotes and intracellular amastigotes of Leishmania major, when compared with uncomplexed KTZ, or with similar ruthenium compounds not containing KTZ. Importantly, the selective toxicity of compounds 3-5 toward the leishmania parasites, in relation to human fibroblasts and osteoblasts or murine macrophages, is also superior to the selective toxicities of the individual constituents of the drug. When tested against Trypanosoma cruzi epimastigotes, some of the organometallic complexes displayed activity and selectivity comparable to those of free KTZ. A dual-target mechanism is suggested to account for the antiparasitic properties of these complexes.

1. Impact of nitridation on open volumes in HfSiO{sub x} studied using monoenergetic positron beams

SciTech Connect

Uedono, A.; Ikeuchi, K.; Otsuka, T.; Yamabe, K.; Eguchi, K.; Takayanagi, M.; Ohdaira, T.; Muramatsu, M.; Suzuki, R.; Hamid, A.S.; Chikyow, T.

2006-04-24

The effects of nitridation on open volumes in thin HfSiO{sub x} films fabricated by metal-organic chemical vapor deposition were studied using monoenergetic positron beams. It was found that positrons were annihilated from the trapped state by open volumes that exist intrinsically in amorphous HfSiO{sub x} structures. In an as-deposited film, the positrons were annihilated from two different types of open volume. After plasma nitridation, the probability of positrons trapped by larger open volumes decreased, which is attributed to nitride trapped by such regions. The mean size of the open volumes increased after annealing, suggesting expansion of the open volumes due to the incorporation of nitride into the HfSiO{sub x} matrix.

2. Syntheses, spectroscopic characterization, thermal study, molecular modeling, and biological evaluation of novel Schiff's base benzil bis(5-amino-1,3,4-thiadiazole-2-thiol) with Ni(II), and Cu(II) metal complexes.

PubMed

Chandra, Sulekh; Gautam, Seema; Rajor, Hament Kumar; Bhatia, Rohit

2015-02-25

Novel Schiff's base ligand, benzil bis(5-amino-1,3,4-thiadiazole-2-thiol) was synthesized by the condensation of benzil and 5-amino-1,3,4-thiadiazole-2-thiol in 1:2 ratio. The structure of ligand was determined on the basis of elemental analyses, IR, (1)H NMR, mass, and molecular modeling studies. Synthesized ligand behaved as tetradentate and coordinated to metal ion through sulfur atoms of thiol ring and nitrogen atoms of imine group. Ni(II), and Cu(II) complexes were synthesized with this nitrogen-sulfur donor (N2S2) ligand. Metal complexes were characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, IR, electronic spectra, EPR, thermal, and molecular modeling studies. All the complexes showed molar conductance corresponding to non-electrolytic nature, expect [Ni(L)](NO3)2 complex, which was 1:2 electrolyte in nature. [Cu(L)(SO4)] complex may possessed square pyramidal geometry, [Ni(L)](NO3)2 complex tetrahedral and rest of the complexes six coordinated octahedral/tetragonal geometry. Newly synthesized ligand and its metal complexes were examined against the opportunistic pathogens. Results suggested that metal complexes were more biological sensitive than free ligand.

3. Positron annihilation induced Auger electron emission

SciTech Connect

Weiss, A.; Jibaly, M.; Lei, Chun; Mehl, D.; Mayer, R.; Lynn, K.G.

1988-01-01

We report on measurements of Auger electron emission from Cu and Fe due to core hole excitations produced by the removal of core electrons by matter-antimatter annihilation. Estimates are developed of the probability of positrons annihilating with a 3p electron in these materials. Several important advantages of Positron annihilation induced Auger Electron Spectroscopy (PAES) for surface analysis are suggested. 10 refs., 2 figs.

4. Modulation of a quantum positron acoustic wave

Amin, M. R.

2015-09-01

Amplitude modulation of a positron acoustic wave is considered in a four-component electron-positron plasma in the quantum magnetohydrodynamic regime. The important ingredients of this study are the inclusion of the particle exchange-correlation potential, quantum diffraction effects via the Bohm potential, and dissipative effect due to viscosity in the momentum balance equation of the charged carriers. A modified nonlinear Schrödinger equation is derived for the evolution of the slowly varying amplitude of the quantum positron acoustic wave by employing the standard reductive perturbation technique. Detailed analysis of the linear and nonlinear dispersions of the quantum positron acoustic wave is presented. For a typical parameter range, relevant to some dense astrophysical objects, it is found that the quantum positron acoustic wave is modulationally unstable above a certain critical wavenumber. Effects of the exchange-correlation potential and the Bohm potential in the wave dynamics are also studied. It is found that the quantum effect due to the particle exchange-correlation potential is significant in comparison to the effect due to the Bohm potential for smaller values of the carrier wavenumber. However, for comparatively larger values of the carrier wavenumber, the Bohm potential effect overtakes the effect of the exchange-correlation potential. It is found that the critical wavenumber for the modulation instability depends on the ratio of the equilibrium hot electron number density and the cold positron number density and on the ratio of the equilibrium hot positron number density and the cold positron number density. A numerical result on the growth rate of the modulation instability is also presented.

5. Controlled Fabrication of Silk Protein Sericin Mediated Hierarchical Hybrid Flowers and Their Excellent Adsorption Capability of Heavy Metal Ions of Pb(II), Cd(II) and Hg(II).

PubMed

Koley, Pradyot; Sakurai, Makoto; Aono, Masakazu

2016-01-27

Fabrication of protein-inorganic hybrid materials of innumerable hierarchical patterns plays a major role in the development of multifunctional advanced materials with their improved features in synergistic way. However, effective fabrication and applications of the hybrid structures is limited due to the difficulty in control and production cost. Here, we report the controlled fabrication of complex hybrid flowers with hierarchical porosity through a green and facile coprecipitation method by using industrial waste natural silk protein sericin. The large surface areas and porosity of the microsize hybrid flowers enable water purification through adsorption of different heavy metal ions. The high adsorption capacity depends on their morphology, which is changed largely by sericin concentration in their fabrication. Superior adsorption and greater selectivity of the Pb(II) ions have been confirmed by the characteristic growth of needle-shaped nanowires on the hierarchical surface of the hybrid flowers. These hybrid flowers show excellent thermal stability even after complete evaporation of the protein molecules, significantly increasing the porosity of the flower petals. A simple, cost-effective and environmental friendly fabrication method of the porous flowers will lead to a new solution to water pollution required in the modern industrial society.

6. Photon induced positron annihilation spectroscopy: A nondestructive method for assay of defects in large engineering materials

Pujari, P. K.; Sudarshan, K.; Tripathi, R.; Dutta, D.; Maheshwari, P.; Sharma, S. K.; Srivastava, D.; Krause-Rehberg, R.; Butterling, M.; Anwand, W.; Wagner, A.

2012-01-01

This paper describes a new methodology for volumetric assay of defects in large engineering materials nondestructively. It utilizes high energy photons produced by nuclear reaction to create positrons in situ whose fate is followed using conventional positron spectroscopic techniques. The photon induced positron annihilation (PIPA) spectroscopy system has been set-up using a Folded Tandem Ion Accelerator (FOTIA). Possibility of using prompt γ-rays produced in nuclear reactions 27Al( 1H,γ) 28Si and 19F( 1H,αγ) 16O has been examined. The reaction 19F( 1H,αγ) 16O is seen to provide higher photon flux (and positron yield) and measurements have been carried out in large samples of metals and polymers. We could establish good sensitivity of the technique as well as reproducibility in a number of measurements. This technique has been used to carry out defect studies in cold worked zircaloy-2 plates. The measured S-parameter, indicative of defect concentration, was seen to correlate well with the measured residual stress using X-ray technique. The results were validated by γ-induced positron annihilation lifetime measurements at ELBE LINAC based GiPS facility.

7. Positron annihilation studies of organic superconductivity

SciTech Connect

Yen, H.L.; Lou, Y.; Ali, E.H.

1994-09-01

The positron lifetimes of two organic superconductors, {kappa}-(ET){sub 2}Cu(NCS){sub 2} and {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br, are measured as a function of temperature across {Tc}. A drop of positron lifetime below {Tc} is observed. Positron-electron momentum densities are measured by using 2D-ACAR to search for the Fermi surface in {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br. Positron density distributions and positron-electron overlaps are calculated by using the orthogonalized linear combination atomic orbital (OLCAO) method to interprete the temperature dependence due to the local charge transfer which is inferred to relate to the superconducting transition. 2D-ACAR results in {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br are compared with theoretical band calculations based on a first-principles local density approximation. Importance of performing accurate band calculations for the interpretation of positron annihilation data is emphasized.

8. An x-ray absorption near edge structure spectroscopy study of metal coordination in Co(II)-substituted Carcinus maenas hemocyanin.

PubMed Central

Della Longa, S; Bianconi, A; Palladino, L; Simonelli, B; Congiu Castellano, A; Borghi, E; Barteri, M; Beltramini, M; Rocco, G P; Salvato, B

1993-01-01

High-resolution x-ray absorption near edge structure spectroscopy was used to characterize the metal sites in three different cobalt-substituted derivatives of Carcinus maenas hemocyanin (Hc), including a mononuclear cobalt, a dinuclear cobalt and a copper-cobalt hybrid derivative. Co(II) model complexes with structures exemplifying octahedral, trigonal bipyramidal, pseudo-tetrahedral, and square planar geometries were also studied. The results provide structural information about the metal binding site(s) in the Co-Hcs that extend earlier results from EPR and optical spectroscopy (Bubacco et al. 1992. Biochemistry. 31: 9294-9303). Experimental spectra were compared to those calculated for atomic clusters of idealized geometry, generated using a multiple scattering approach. The energy of the dipole forbidden 1s-->3d transition and of the absorption edge in the spectra for all cobalt Hc derivatives confirmed the cobaltous oxidation state which rules out the presence of an oxygenated site. Comparisons between data and simulations showed that the mononuclear and dinuclear Co(II) derivatives, as well as the hybrid derivative, contain four-coordinate Co(II) in distorted tetrahedral sites. Although the spectra for Co(II) in dinuclear metal sites more closely resemble the simulated spectrum for a tetrahedral complex than do spectra for the mononuclear derivative, the Co(II) sites in all derivatives are very similar. The Cu K-edge high resolution x-ray absorption near edge structure spectrum of the hybrid Cu-Co-Hc resembles that of deoxy-Hc demonstrating the presence of three-coordinate Cu(I). PMID:8312502

9. The PEP-II design

SciTech Connect

Sullivan, M.K.

1995-05-01

The Stanford Linear Accelerator Center (SLAC), Lawrence Berkeley Laboratory (LBL), Lawrence Livermore National Laboratory (LLNL) Positron Electron Project-II (PEP-II) is a design for a high-luminosity, asymmetric energy, electron-positron colliding beam accelerator that will operate at the center-of-mass energy of the {Upsilon}4S (10.58 GeV). The goal of the design is to achieve a large enough integrated luminosity with a moving center-of-mass reference frame to he able to observe the predicted rare decay modes of the {Upsilon}4S that do not conserve charge parity (CP).

10. Post-annealing treatment for Cu-TiO2 nanotubes and their use in photocatalytic methyl orange degradation and Pb(II) heavy metal ions removal

Sreekantan, Srimala; Mohd Zaki, Syazwani; Lai, Chin Wei; Tzu, Teoh Wah

2014-07-01

TiO2 nanotubes were synthesized via electrochemical anodization of Ti foil at 60 V for 1 h in a bath with electrolytes composed of ethylene glycol containing 5 wt.% of NH4F and 1 vol.% of H2O2. The incorporation of optimum Cu2+ ions (1.30 at.%) into TiO2 nanotubes were prepared by using wet impregnation method to improve their photocatalytic methyl orange degradation and Pb(II) heavy metal removal. The small Cu2+ ions were successfully diffused into lattice of TiO2 nanotubes by conducting post-annealing treatment at 400 °C for 4 h in argon atmosphere after wet impregnation. In this manner, optimum Cu2+ ions played a crucial role in suppressing the recombination of charge carriers by forming inter-band states (mismatch of the band energies) within the lattice of Cu-TiO2. The experimental results showed that a maximum of 80% methyl orange removal and 97.3% Pb(II) heavy metal removal at pH 11 under UV irradiation for 5 h. Besides, it was noticed that photocatalytic Pb(II) heavy metal removal was strong dependence on pH of the solution because of the amphoteric character of Cu-TiO2 in an aqueous medium.

11. Covalent attachment of diphosphine ligands to glassy carbon electrodes via Cu-catalyzed alkyne-azide cycloaddition. Metallation with Ni(II).

PubMed

Das, Atanu K; Engelhard, Mark H; Lense, Sheri; Roberts, John A S; Bullock, R Morris

2015-07-21

Covalent tethering of P(Ph)2N(C6H4C≡CH)2 ligands (P(Ph)2N(C6H4C≡CH)2 = 1,5-di-(4-ethynylphenyl)-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) to planar, azide-terminated glassy carbon electrode surfaces has been accomplished using a Cu(I)-catalyzed alkyne-azide cycloaddition (CuAAC) coupling reaction, using a BH3←P protection-deprotection strategy. Deprotected, surface-confined ligands were metallated using [Ni(II)(MeCN)6](BF4)2. X-ray photoelectron spectroscopic measurements demonstrate that metallation introduced 1.3 equivalents Ni(II) per diphosphine onto the electrode surface. Exposure of the surface to a second diphosphine ligand, P(Ph)2N(Ph)2, resulted in the removal of Ni from the surface. Protection, coupling, deprotection, and metallation conditions were optimized using solution-phase model systems, with benzyl azide as a model for the azide-terminated carbon surface; these reactions generate a [Ni(II)(diphosphine)2](2+) complex.

12. Intense low energy positron beams

SciTech Connect

Lynn, K.G.; Jacobsen, F.M.

1993-12-31

Intense positron beams are under development or being considered at several laboratories. Already today a few accelerator based high intensity, low brightness e{sup +} beams exist producing of the order of 10{sup 8} {minus} 10{sup 9} e{sup +}/sec. Several laboratories are aiming at high intensity, high brightness e{sup +} beams with intensities greater than 10{sup 9} e{sup +}/sec and current densities of the order of 10{sup 13} {minus} 10{sup 14} e{sup +} sec{sup {minus}} {sup 1}cm{sup {minus}2}. Intense e{sup +} beams can be realized in two ways (or in a combination thereof) either through a development of more efficient B{sup +} moderators or by increasing the available activity of B{sup +} particles. In this review we shall mainly concentrate on the latter approach. In atomic physics the main trust for these developments is to be able to measure differential and high energy cross-sections in e{sup +} collisions with atoms and molecules. Within solid state physics high intensity, high brightness e{sup +} beams are in demand in areas such as the re-emission e{sup +} microscope, two dimensional angular correlation of annihilation radiation, low energy e{sup +} diffraction and other fields. Intense e{sup +} beams are also important for the development of positronium beams, as well as exotic experiments such as Bose condensation and Ps liquid studies.

13. Synthesis, crystal structure and photoconductivity of the first [60]fullerene complex with metal diethyldithiocarbamate: {CuII(dedtc)2}2.C60.

PubMed

Konarev, Dmitri V; Kovalevsky, Andrey Y; Lopatin, Dmitri V; Umrikhin, Alexey V; Yudanova, Evgeniya I; Coppens, Philip; Lyubovskaya, Rimma N; Saito, Gunzi

2005-05-21

The first molecular complex of fullerene C60 with metal dithiocarbamate, namely, {CuII(dedtc)2}2.C60(dedtc: diethyldithiocarbamate) (1) was obtained as single crystals. Butterfly-shaped CuII(dedtc)2 molecules efficiently co-crystallized with spherical fullerene molecules to form a layered structure, in which closely packed hexagonal C60 layers alternate with the layers composed of CuII(dedtc)2 dimers. The formation of the complex with C60 changes geometry and the EPR spectrum of starting CuII(dedtc)2. Magnetic susceptibility of 1 follows the Curie-Weiss law in the 300-1.9 K range with the negative Weiss constant of -2.5 K showing a weak antiferromagnetic interaction between CuII centers in the dimers. The crystals of 1 have low dark conductivity of 10(-11) S cm-1, which is consistent with a neutral ground state of the complex. Illumination of the crystals by white light increases the photocurrent by 20-50 times. The photoconductivity spectrum of 1 has a maximum at 470 nm showing that both intermolecular charge transfer between neighboring C60 molecules and photoexcitation of CuII(dedtc)2 can contribute to photogeneration of free charge carriers. The effect of a weak magnetic field with Bo<0.5 T on the photoconductivity of 1 has been found.

14. Metal complexes derived from hydrazoneoxime ligands: V. Spectral and structural studies on diacetylmonoxime n-alkanoylhydrazones and their nickel(II) and copper(II) complexes

Salem, Nahed M. H.; El Sayed, Laila; Haase, Wolfgang; Iskander, Magdi F.

2015-01-01

A series of diacetylmonoxime n-alkanoylhydrazones (H2Ln, n = 4, 5, 6, 12 and 16) were prepared by the condensation of diacetylmonoxime with the corresponding n-alkanoylhydrazine in ethanol. The X-ray crystal structure of diacetylmonoxime octadecanoyl hydrazone has been solved and its molecular and supramolecular structures have been discussed. Both neutral dinuclear Cu(II) and Ni(II) complexes, [{M(Ln)}2] (M = Cu, Ni and n = 4, 5, 6, 12 and 16) as well as cationic dinuclear Cu(II) complexes, [Cu2(Ln)(HLn)]NO3 (n = 12 and 16) have been also prepared and characterized by elemental analyses, FD- and ESI-mass spectra as well as IR, UV-Vis, 1H NMR, 13C NMR spectra. Variable temperature magnetic susceptibility measurements for dinuclear Cu(II) complexes have been also discussed.

15. Metal complexes derived from hydrazoneoxime ligands: V. Spectral and structural studies on diacetylmonoxime n-alkanoylhydrazones and their nickel(II) and copper(II) complexes.

PubMed

Salem, Nahed M H; El Sayed, Laila; Haase, Wolfgang; Iskander, Magdi F

2015-01-05

A series of diacetylmonoxime n-alkanoylhydrazones (H₂L(n), n=4, 5, 6, 12 and 16) were prepared by the condensation of diacetylmonoxime with the corresponding n-alkanoylhydrazine in ethanol. The X-ray crystal structure of diacetylmonoxime octadecanoyl hydrazone has been solved and its molecular and supramolecular structures have been discussed. Both neutral dinuclear Cu(II) and Ni(II) complexes, [{M(L(n))}₂] (M=Cu, Ni and n=4, 5, 6, 12 and 16) as well as cationic dinuclear Cu(II) complexes, [Cu₂(L(n))(HL(n))]NO₃ (n=12 and 16) have been also prepared and characterized by elemental analyses, FD- and ESI-mass spectra as well as IR, UV-Vis, (1)H NMR, (13)C NMR spectra. Variable temperature magnetic susceptibility measurements for dinuclear Cu(II) complexes have been also discussed.

16. Biological oxidation of Mn(II) coupled with nitrification for removal and recovery of minor metals by downflow hanging sponge reactor.

PubMed

Cao, Linh Thi Thuy; Kodera, Hiroya; Abe, Kenichi; Imachi, Hiroyuki; Aoi, Yoshiteru; Kindaichi, Tomonori; Ozaki, Tomonori; Ohashi, Akiyoshi

2015-01-01

Biogenic manganese oxides (bio-MnO₂) have been shown to absorb minor metals. Bioreactor cultivation of heterotrophic manganese oxidizing bacteria (MnOB), which produce bio-MnO₂ via oxidation of Mn (II), can be expected to be involved in a promising system for removal and recovery of minor metals from wastewater. However, MnOB enrichment in wastewater treatment is difficult. This study investigated whether MnOB can be cultivated when coupled with nitrification in a system in which soluble microbial products (SMP) from nitrifiers are provided to MnOB as a substrate. A downflow hanging sponge (DHS) reactor was applied for MnOB cultivation with ammonium (NH₄⁺) and Mn (II) continuously supplied. During long-term operation, Mn (II) oxidation was successfully established at a rate of 48 g Mn m⁻³ d⁻¹ and bio-MnO₂ that formed on the sponges were recovered from the bottom of the reactor. The results also revealed that Ni and Co added to the influent were simultaneously removed. Microbial 16S rRNA gene clone analysis identified nitrifiers supporting MnOB growth and showed that only one clone of Bacillus subtilis, which was affiliated with a known MnOB cluster, was present, suggesting the existence of other novel bacteria with the ability to oxidize Mn (II).

17. The integrated calcium II triplet as a metallicity indicator: comparisons with high-resolution [Fe/H] in M31 globular clusters

Sakari, Charli M.; Wallerstein, George

2016-02-01

Medium resolution (R = 4000-9000) spectra of the near infrared Ca II lines (at 8498, 8542, and 8662 Å) in M31 globular cluster (GC) integrated light spectra are presented. In individual stars the Ca II triplet (CaT) traces stellar metallicity; this paper compares integrated CaT strengths to well determined, high-precision [Fe/H] values from high-resolution integrated light spectra. The target GCs cover a wide range in metallicity (from [Fe/H] ˜ -2.1 to -0.2). While most are older than ˜10 Gyr, some may be of intermediate age (2-6 Gyr). A handful (3-6) have detailed abundances (e.g. low [Ca/Fe]) that indicate they may have been accreted from dwarf galaxies. Using various measurements and definitions of CaT strength, it is confirmed that for GCs with [Fe/H] ≲ -0.4 and older than ˜2 Gyr the integrated CaT traces cluster [Fe/H] to within ˜0.2 dex, independent of age. CaT lines in metal-rich GCs are very sensitive to nearby atomic lines (and TiO molecular lines in the most metal-rich GCs), largely due to line blanketing in continuum regions. The [Ca/Fe] ratio has a mild effect on the integrated CaT strength in metal poor GCs. The integrated CaT can therefore be safely used to determine rough metallicities for distant, unresolved clusters, provided that attention is paid to the limits of the measurement techniques.

18. Dynamics of the positron acoustic waves in electron-positron-ion magnetoplasmas

Ali, Rustam; Saha, Asit; Chatterjee, Prasanta

2017-01-01

Dynamics of the positron acoustic waves in electron-positron-ion (e-p-i) magnetoplasmas with κ-distributed hot electrons and positrons is investigated in the frameworks of the Kadomtsev-Petviashili (KP) and modified Kadomtsev-Petviashili (mKP) equations. Employing the reductive perturbation technique, the KP and mKP equations are derived. Using the bifurcation theory of planar dynamical systems, the positron acoustic solitary wave solutions, the kink and anti-kink wave solutions are obtained. Considering an external periodic perturbation in the electron-positron-ion magnetoplasmas, the perturbed KP and mKP equations are studied via some qualitative and quantitative approaches. To corroborate in the fact that the perturbed KP and mKP equations can indeed give rise to the quasiperiodic and chaotic motions, the phase plane plots, time series plots, and the Poincaré section are used. The quasiperiodic and developed chaos can be observed for the perturbed positron acoustic waves. The frequency (ω ) of the external periodic perturbation plays the role of the switching parameter in chaotic motions of the perturbed positron acoustic waves through quasiperiodic route to chaos. This work can be useful to understand the dynamics of nonlinear electromagnetic perturbations in space and laboratory plasmas consisting of κ-distributed hot electrons and positrons.

19. Thermal Stability of MgyTi1-y Thin Films Investigated by Positron Annihilation Spectroscopy

Anastasopol, A.; Eijt, S. W. H.; Schut, H.; Mulder, F. M.; Plazaola, F.; Dam, B.

Mg-Ti compounds are attractive candidates as hydrogen storage materials for their fast sorption kinetics and high storage capacity. In this context, an investigation of their thermal stability is of great importance. The thermal stability of MgyTi1-y thin films was investigated using positron annihilation spectroscopy. Despite the positive enthalpy of mixing of Mg and Ti, positron Doppler Broadening of Annihilation Radiation (DBAR) depth profiling showed that Mg0.9Ti0.1 films are stable up to 300°C. However, for Mg0.7Ti0.3 films, segregation of Mg and Ti was observed at 300oC by the appearance of a clear Ti signature in the S-W diagrams and in the Doppler broadening depth profiles analyzed using VEPFIT. The thickness of the 250-300 nm thin films remained unchanged during the heating treatments. We further present ab-initio calculations of positron lifetimes of the corresponding metal and metal hydride phases for comparison to our previous positron annihilation lifetime spectroscopy (PALS) study.

20. Van de Graaff based positron source production

Lund, Kasey Roy

The anti-matter counterpart to the electron, the positron, can be used for a myriad of different scientific research projects to include materials research, energy storage, and deep space flight propulsion. Currently there is a demand for large numbers of positrons to aid in these mentioned research projects. There are different methods of producing and harvesting positrons but all require radioactive sources or large facilities. Positron beams produced by relatively small accelerators are attractive because they are easily shut down, and small accelerators are readily available. A 4MV Van de Graaff accelerator was used to induce the nuclear reaction 12C(d,n)13N in order to produce an intense beam of positrons. 13N is an isotope of nitrogen that decays with a 10 minute half life into 13C, a positron, and an electron neutrino. This radioactive gas is frozen onto a cryogenic freezer where it is then channeled to form an antimatter beam. The beam is then guided using axial magnetic fields into a superconducting magnet with a field strength up to 7 Tesla where it will be stored in a newly designed Micro-Penning-Malmberg trap. Several source geometries have been experimented on and found that a maximum antimatter beam with a positron flux of greater than 0.55x10 6 e+s-1 was achieved. This beam was produced using a solid rare gas moderator composed of krypton. Due to geometric restrictions on this set up, only 0.1-1.0% of the antimatter was being frozen to the desired locations. Simulations and preliminary experiments suggest that a new geometry, currently under testing, will produce a beam of 107 e+s-1 or more.

1. Novel metal-based pharmacologically dynamic agents of transition metal(II) complexes: Designing, synthesis, structural elucidation, DNA binding and photo-induced DNA cleavage activity

Raman, N.; Jeyamurugan, R.; Sakthivel, A.; Mitu, L.

2010-01-01

Novel Schiff base Cu(II), Ni(II), Co(II) and Zn(II) complexes have been designed and synthesized using the macrocyclic ligand derived from the condensation of diethylphthalate with Schiff base, obtained from benzene-1,2-diamine and 3-benzylidene-pentane-2,4-dione. The ligand and its complexes have been characterized by analytical and spectral techniques. DNA binding properties of these complexes have been investigated by UV-vis, viscosity measurements, cyclic voltammetric and differential pulse voltammogram studies. The intrinsic binding constants for Co(II), Ni(II), Cu(II) and Zn(II) complexes are 1.6 × 10 6, 1.8 × 10 6, 2.0 × 10 6 and 1.5 × 10 6 M -1 respectively which are obtained from electronic absorption experiment. Control DNA cleavage experiments using pUC19 supercoiled (SC) DNA and minor groove binder (distamycin) suggest the major groove binding tendency for the synthesized complexes. In the presence of a reducing agent like 3-mercaptopropionic acid (MPA), the synthesized complexes show chemical nuclease activity under dark reaction condition. The complexes also show efficient photo-induced DNA cleavage activity on irradiation with a monochromatic UV light of 360 nm in the presence of inhibitors. Control experiments show inhibition of cleavage in the presence of singlet oxygen quencher like sodium azide and enhancement of cleavage in D 2O, suggesting the formation of singlet oxygen as a reactive species in a type-II process.

2. Elastic and inelastic scattering of positrons in gases and solids

NASA Technical Reports Server (NTRS)

Mcgowan, J. W.

1972-01-01

Three apparatuses were designed and built: The first, which is now operative, was designed to study the details of positron thermalization in solids and the subsequent emission of the low energy positrons from moderating foils; The second apparatus now under test is a positron bottle similar in design to an electron trap. It was built to store positrons at a fixed energy and to look at the number of stored positrons (storage time) as a function of a scattering gas in the vacuum chamber. The third apparatus is a crossed beam apparatus where positron-, alkali scattering will be studied. Much of the apparatus is now under test with electrons.

3. Comparative DNA binding abilities and phosphatase-like activities of mono-, di-, and trinuclear Ni(II) complexes: the influence of ligand denticity, metal-metal distance, and coordinating solvent/anion on kinetics studies.

PubMed

Bhardwaj, Vimal K; Singh, Ajnesh

2014-10-06

Six novel Ni(II) complexes, namely, [Ni2(HL(1))(OAc)2] (1), [Ni3L(1)2]·H2O·2CH3CN (2), [Ni2(L(2))(L(3))(CH3CN)] (3), [Ni2(L(2))2(H2O)2] (4), [Ni2(L(2))2(DMF)2]2·2H2O (5), and [Ni(HL(2))2]·H2O (6), were synthesized by reacting nitrophenol-based tripodal (H3L(1)) and dipodal (H2L(2)) Schiff base ligands with Ni(II) metal salts at ambient conditions. All the complexes were fully characterized with different spectroscopic techniques such as elemental analyses, IR, UV-vis spectroscopy, and electrospray ionization mass spectrometry. The solid-state structures of 2, 3, 5, and 6 were determined using single-crystal X-ray crystallography. The compounds 1, 3, 4, and 5 are dinuclear complexes where the two Ni(II) centers have octahedral geometry with bridging phenoxo groups. Compound 2 is a trinuclear complex with two different types of Ni(II) centers. In compound 3 one of the Ni(II) centers has a coordinated acetonitrile molecule, whereas in compound 4, a water molecule has occupied one coordination site of each Ni(II) center. In complex 5, the coordinated water of complex 4 was displaced by the dimethylformamide (DMF) during its crystallization. Complex 6 is mononuclear with two amine-bis(phenolate) ligands in scissorlike fashion around the Ni(II) metal center. The single crystals of 1 and 4 could not be obtained; however, from the spectroscopic data and physicochemical properties (electronic and redox properties) it was assumed that the structures of these complexes are quite similar to other analogues. DNA binding abilities and phosphatase-like activities of all characterized complexes were also investigated. The ligand denticity, coordinated anions/solvents (such as acetate, acetonitrile, water, and DMF), and cooperative action of two metal centers play a significant role in the phosphate ester bond cleavage of 2-hydroxypropyl-p-nitropenylphosphate by transesterification mechanism. Complex 3 exhibits highest activity among complexes 1-6 with 3.86 × 10(5) times

4. Manganese Abundances In Three Metal-poor Stars Using Improved log(gf) Data For Mn I And Mn II Lines

Lawler, James E.; Sobeck, J. S.; Den Hartog, E. A.; Sneden, C.; Cowan, J. J.; Truran, J. W.

2012-01-01

We present accurate Mn abundances for three very metal-poor stars using new log(gf) measurements [Den Hartog et al. 2011] for transitions of Mn I and Mn II spanning a wavelength range from 2300 to 6050 Å. The three metal-poor ([Fe/H] < -2.0) program stars are HD 84937 (a warm main sequence turn-off star), HD 122563 (a cool giant deficient in n-capture elements) and HD115444 (a cool giant with extreme enhancements of n-capture elements). Using approximately 20 transitions of Mn I and more than 10 transitions of Mn II we find for each star a highly consistent abundance value, log ɛ(Mn) = 2.9 for HD 84937, log ɛ(Mn) = 1.6 for HD 115444, and log ɛ(Mn) = 1.9 for HD 122563, except for the resonance (E.P. = 0.0) multiplet of Mn I. This multiplet consistently yields lower abundance values with differences ranging from 0.3 dex for HD 84937 (a main sequence star) to 0.7 and 0.9 dex for the giant stars included in the study. We have critically examined aspects of radiative transfer for each of the Mn I and II transitions including depth of formation. Using estimates of the Fe abundances for these three well-studied metal-poor stars, we conclude that [Mn/Fe] = -0.70 ± 0.2 in the metalicity regime [Fe/H] = -2.5 ± 0.3. Supported by NASA grant NNX09AL13G and NSF grants AST-0907732, AST-0908978, and AST-0707447. Den Hartog, E A, Lawler J E, Sobeck J S, Sneden C, and Cowan J J 2011, ApJS 194, 35

5. DNA interaction, antimicrobial, electrochemical and spectroscopic studies of metal(II) complexes with tridentate heterocyclic Schiff base derived from 2‧-methylacetoacetanilide

Raman, Natarajan; Pothiraj, Krishnan; Baskaran, Thanasekaran

2011-08-01

A new Schiff base ligand (HL) was synthesized by the condensation reaction between 2'-methyleacetoacetanilide and 2-amino-3-hydroxypyridine. Its Co(II), Ni(II), Cu(II) and Zn(II) complexes were prepared by the interaction of the ligand with metal(II) chloride. They were characterized by elemental analysis, IR, 1H NMR, EPR, UV-Vis, magnetic susceptibility measurements, conductivity measurements and FAB-mass spectra. The interaction of the complexes with calf thymus DNA (CT-DNA) has been investigated by UV absorption, viscosity and cyclic voltammetry methods, and the mode of CT-DNA binding to the complexes has been explored. Furthermore, the DNA cleavage activity by the complexes was performed. It was found to be oxidative hydroxyl radical cleavage in the presence of 3-mercaptopropionic acid (MPA). The Schiff base and its complexes have been screened for their antibacterial ( Staphylococcus aureus, Escherichia coli, Bacillus subtilis and Pseudomonas aeruginosa) and antifungal ( Aspergillus niger, Rhizopus stolonifer, Rhizoctonia bataicola and Candida albicans) activities and the data reveal that the complexes have higher activity than the free ligand.

6. The SAMI Galaxy Survey: the discovery of a luminous, low-metallicity H II complex in the dwarf galaxy GAMA J141103.98-003242.3

Richards, S. N.; Schaefer, A. L.; López-Sánchez, Á. R.; Croom, S. M.; Bryant, J. J.; Sweet, S. M.; Konstantopoulos, I. S.; Allen, J. T.; Bland-Hawthorn, J.; Bloom, J. V.; Brough, S.; Fogarty, L. M. R.; Goodwin, M.; Green, A. W.; Ho, I.-T.; Kewley, L. J.; Koribalski, B. S.; Lawrence, J. S.; Owers, M. S.; Sadler, E. M.; Sharp, R.

2014-12-01

We present the discovery of a luminous unresolved H II complex on the edge of dwarf galaxy GAMA J141103.98-003242.3 using data from the Sydney-AAO Multi-object Integral field spectrograph (SAMI) Galaxy Survey. This dwarf galaxy is situated at a distance of ˜100 Mpc and contains an unresolved region of H II emission that contributes ˜70 per cent of the galaxy's Hα luminosity, located at the top end of established H II region luminosity functions. For the H II complex, we measure a star formation rate of 0.147 ± 0.041 M⊙ yr-1and a metallicity of 12+log(O/H) = 8.01 ± 0.05 that is lower than the rest of the galaxy by ˜0.2 dex. Data from the H I Parkes All-Sky Survey (HIPASS) indicate the likely presence of neutral hydrogen in the galaxy to potentially fuel ongoing and future star-forming events. We discuss various triggering mechanisms for the intense star formation activity of this H II complex, where the kinematics of the ionized gas are well described by a rotating disc and do not show any features indicative of interactions. We show that SAMI is an ideal instrument to identify similar systems to GAMA J141103.98-003242.3, and the SAMI Galaxy Survey is likely to find many more of these systems to aid in the understanding of their formation and evolution.

7. THE MOST METAL-POOR STARS. II. CHEMICAL ABUNDANCES OF 190 METAL-POOR STARS INCLUDING 10 NEW STARS WITH [Fe/H] {<=} -3.5 , ,

SciTech Connect

Yong, David; Norris, John E.; Bessell, M. S.; Asplund, M.; Christlieb, N.; Beers, Timothy C.; Barklem, P. S.; Frebel, Anna; Ryan, S. G. E-mail: jen@mso.anu.edu.au E-mail: martin@mso.anu.edu.au E-mail: beers@pa.msu.edu E-mail: afrebel@mit.edu

2013-01-01

We present a homogeneous chemical abundance analysis of 16 elements in 190 metal-poor Galactic halo stars (38 program and 152 literature objects). The sample includes 171 stars with [Fe/H] {<=} -2.5, of which 86 are extremely metal poor, [Fe/H] {<=} -3.0. Our program stars include 10 new objects with [Fe/H] {<=} -3.5. We identify a sample of 'normal' metal-poor stars and measure the trends between [X/Fe] and [Fe/H], as well as the dispersion about the mean trend for this sample. Using this mean trend, we identify objects that are chemically peculiar relative to 'normal' stars at the same metallicity. These chemically unusual stars include CEMP-no objects, one star with high [Si/Fe], another with high [Ba/Sr], and one with unusually low [X/Fe] for all elements heavier than Na. The Sr and Ba abundances indicate that there may be two nucleosynthetic processes at lowest metallicity that are distinct from the main r-process. Finally, for many elements, we find a significant trend between [X/Fe] versus T {sub eff}, which likely reflects non-LTE and/or three-dimensional effects. Such trends demonstrate that care must be exercised when using abundance measurements in metal-poor stars to constrain chemical evolution and/or nucleosynthesis predictions.

8. Current Issues in Electron and Positron Transport Theory

Robson, Robert

2007-10-01

In this paper we review the current status of transport theory for low energy electrons or positrons in gases, in the context of both kinetic theory and fluid modelling. In particular, we focus on the following issues: (i) Muliterm vs two-term representation of the velocity distribution function in solution of Boltzmann's equation; (ii) the effect of non-conservative collisions (attachment, ionization, positron annihilation) on transport properties; (iii) the enduring electron- hydrogen vibrational cross section controversy and possible implications for the Boltzmann equation itself; (iv) closure of the fluid equations and the heat flux ansatz; and (v) correct use of swarm transport coefficients in fluid modelling of low temperature plasmas. Both hydrodynamic and non-hydrodynamic examples will be given, with attention focussed on the Franck-Hertz experiment, particularly the window'' of fields in which oscillations of transport properties are produced, and the way in which electric and magnetic fields combine to affect transport properties. In collaboration with co-authors Z. LJ. Petrovi'c, Institute of Physics Belgrade, and R.D. White, James Cook University.

9. Synthesis, characterization and properties of some divalent metal(II) complexes: Their electrochemical, catalytic, thermal and antimicrobial activity studies

Tümer, Mehmet; Ekinci, Duygu; Tümer, Ferhan; Bulut, Akif

2007-07-01

In this study, we synthesized the amine compound 2-(2-aminoethyliminomethyl)phenol (H 3A) as the starting material, and then we prepared the polydentate Schiff base ligands from the reactions of the amine compound (H 3A) with phtaldialdehyde (H 2L), 4-methyl-2,6-di-formlyphenol (H 3L 1) and 4- t-butyl-2,6-di-formylphenol (H 3L 2) in the ethanol solution. Moreover, the complexes Cd(II), Cu(II), Co(II), Ni(II), Zn(II) and Sn(II) of the ligands H 2L, H 3L 1 and H 3L 2 have been prepared. All compounds have been characterized by the analytical and spectroscopic methods. In addition, the magnetic susceptibility and molar conductance measurements have been made. The catalytic properties of the mono- and binuclear Co(II) and Cu(II) complexes have been studied on the 3,5-di- tert-butylcatechol (3,5-DTBC) and ascorbic acid (aa) as a substrate. The oxidative C-C coupling properties of the Co(II) and Cu(II) complexes have been investigated on the sterically hindered 2,6-di- tert-butylphenol (dtbp). The antimicrobial activity properties of the ligands and their mono- and binuclear complexes have been studied against the bacteria and fungi. The results have been compared to the antibacterial and fungi drugs. The TGA curves show that the decomposition takes place in three steps for all complexes. Electrochemical properties of the complexes Cu(II) and Ni(II) have been investigated for the first time in acetonitrile by cyclic voltammetry.

10. Synthesis, characterization and properties of some divalent metal(II) complexes: their electrochemical, catalytic, thermal and antimicrobial activity studies.

PubMed

Tümer, Mehmet; Ekinci, Duygu; Tümer, Ferhan; Bulut, Akif

2007-07-01

In this study, we synthesized the amine compound 2-(2-aminoethyliminomethyl)phenol (H(3)A) as the starting material, and then we prepared the polydentate Schiff base ligands from the reactions of the amine compound (H(3)A) with phtaldialdehyde (H(2)L), 4-methyl-2,6-di-formlyphenol (H(3)L(1)) and 4-t-butyl-2,6-di-formylphenol (H(3)L(2)) in the ethanol solution. Moreover, the complexes Cd(II), Cu(II), Co(II), Ni(II), Zn(II) and Sn(II) of the ligands H(2)L, H(3)L(1) and H(3)L(2) have been prepared. All compounds have been characterized by the analytical and spectroscopic methods. In addition, the magnetic susceptibility and molar conductance measurements have been made. The catalytic properties of the mono- and binuclear Co(II) and Cu(II) complexes have been studied on the 3,5-di-tert-butylcatechol (3,5-DTBC) and ascorbic acid (aa) as a substrate. The oxidative C-C coupling properties of the Co(II) and Cu(II) complexes have been investigated on the sterically hindered 2,6-di-tert-butylphenol (dtbp). The antimicrobial activity properties of the ligands and their mono- and binuclear complexes have been studied against the bacteria and fungi. The results have been compared to the antibacterial and fungi drugs. The TGA curves show that the decomposition takes place in three steps for all complexes. Electrochemical properties of the complexes Cu(II) and Ni(II) have been investigated for the first time in acetonitrile by cyclic voltammetry.

11. Copper(II)-mediated thermolysis of alginates: a model kinetic study on the influence of metal ions in the thermochemical processing of macroalgae

PubMed Central

Rowbotham, J. S.; Dyer, P. W.; Greenwell, H. C.; Selby, D.; Theodorou, M. K.

2013-01-01

Thermochemical processing methods such as pyrolysis are of growing interest as a means of converting biomass into fuels and commodity chemicals in a sustainable manner. Macroalgae, or seaweed, represent a novel class of feedstock for pyrolysis that, owing to the nature of the environments in which they grow coupled with their biochemistry, naturally possess high metal contents. Although the impact of metals upon the pyrolysis of terrestrial biomass is well documented, their influence on the thermochemical conversion of marine-derived feeds is largely unknown. Furthermore, these effects are inherently difficult to study, owing to the heterogeneous character of natural seaweed samples. The work described in this paper uses copper(II) alginate, together with alginic acid and sodium alginate as model compounds for exploring the effects of metals upon macroalgae thermolysis. A thermogravimetric analysis–Fourier transform infrared spectroscopic study revealed that, unusually, Cu2+ ions promote the onset of pyrolysis in the alginate polymer, with copper(II) alginate initiating rapid devolatilization at 143°C, 14°C lower than alginic acid and 61°C below the equivalent point for sodium alginate. Moreover, this effect was mirrored in a sample of wild Laminaria digitata that had been doped with Cu2+ ions prior to pyrolysis, thus validating the use of alginates as model compounds with which to study the thermolysis of macroalgae. These observations indicate the varying impact of different metal species on thermochemical behaviour of seaweeds and offer an insight into the pyrolysis of brown macroalgae used in phytoremediation of metal-containing waste streams. PMID:24427515

12. Positive charge prevalence in cosmic rays: Room for dark matter in the positron spectrum

Malkov, M. A.; Diamond, P. H.; Sagdeev, R. Z.

2016-09-01

The unexpected energy spectrum of the positron/electron ratio is interpreted astrophysically, with a possible exception of the 100-300 GeV range. The data indicate that this ratio, after a decline between 0.5 and 8 GeV, rises steadily with a trend towards saturation at 200-400 GeV. These observations (except for the trend) appear to be in conflict with the diffusive shock acceleration (DSA) mechanism, operating in a single supernova remnant (SNR) shock. We argue that e+/e- ratio can still be explained by the diffusive shock acceleration if positrons are accelerated in a subset of SNR shocks which (i) propagate in clumpy gas media and (ii) are modified by accelerated cosmic ray protons. The protons penetrate into the dense gas clumps upstream to produce positrons and charge the clumps positively. The induced electric field expels positrons into the upstream plasma where they are shock accelerated. Since the shock is modified, these positrons develop a harder spectrum than that of the cosmic ray electrons accelerated in other SNRs. Mixing these populations explains the increase in the e+/e- ratio at E >8 GeV . It decreases at E <8 GeV because of a subshock weakening which also results from the shock modification. Contrary to the expelled positrons, most of the antiprotons, electrons, and heavier nuclei, are left unaccelerated inside the clumps. Scenarios for the 100-300 GeV AMS-02 fraction exceeding the model prediction, including, but not limited to, possible dark matter contribution, are also discussed.

13. Status and Perspectives for a Slow Positron Beam Facility at the HH--NIPNE Bucharest

SciTech Connect

Straticiuc, Mihai; Craciun, Liviu Stefan; Constantinescu, Olimpiu; Ghita, Ionica Alina; Ionescu, Cristina; Racolta, Petru Mihai; Vasilescu, Angela; Braic, Viorel; Zoita, Catalin; Kiss, Adrian; Bojin, Dionezie

2009-03-10

The development of a positron annihilation spectroscopy laboratory at the HH-NIPNE Bucharest-to be used for material studies and applications was started in the last 10 years. In the framework of a national research project extended over the last 3 years, was designed a low energy positron accelerator, as a high-vacuum dedicated beam line with two options: a 25 mCi {sup 22}NaCl source and in line with the NIPNE-cyclotron or a new intense compact cyclotron. The construction of the beam line was planned as a sequence of modules: source- moderator system; magnetical filter for fast positrons in order to select the positrons energies in the range 0.8-1 keV; a modular system for focusing, transport and acceleration of monoenergetic positrons in the energy range 0.8-50 keV and a CDBS analysis chamber. The moderator proposed--is tungsten as a foil of about 3 {mu}m prepared at the Optoelectronics Institute were put into a thermal treatment vacuum chamber and bombarded with electrons from a 100 W electron gun After the treatment, they were tested for changes of elemental composition of the surface and structure at the Polytechnic University. The structure tests were performed on a DRON 3 M diffractometer, with a Co tube ({lambda}{sub K{alpha}} = 1.7903 A) - the angular regions studied were around 34 deg. (1 0 0) and 69 deg. (2 0 0). In the present time, the trajectories of the positron are going to be simulated with dedicated software (an ion and electron optics simulator). For the coincidence measurements (CDBS) set-up we used a home-made {sup 22}NaCl source, by separation without carrier from a metallic Mg target irradiated with 12 MeV protons and separated by columnar cation exchange. A home-made biparametric system for CDBS measurements will be reported, also.

14. Status and Perspectives for a Slow Positron Beam Facility at the HH—NIPNE Bucharest

Constantin, Florin; Craciun, Liviu Stefan; Constantinescu, Olimpiu; Ghita, Ionica Alina; Ionescu, Cristina; Racolta, Petru Mihai; Straticiuc, Mihai; Vasilescu, Angela; Braic, Viorel; Zoita, Catalin; Kiss, Adrian; Bojin, Dionezie

2009-03-01

The development of a positron annihilation spectroscopy laboratory at the HH-NIPNE Bucharest-to be used for material studies and applications was started in the last 10 years. In the framework of a national research project extended over the last 3 years, was designed a low energy positron accelerator, as a high-vacuum dedicated beam line with two options: a 25 mCi 22NaCl source and in line with the NIPNE-cyclotron or a new intense compact cyclotron. The construction of the beam line was planned as a sequence of modules: source- moderator system; magnetical filter for fast positrons in order to select the positrons energies in the range 0.8-1 keV; a modular system for focusing, transport and acceleration of monoenergetic positrons in the energy range 0.8-50 keV and a CDBS analysis chamber. The moderator proposed—is tungsten as a foil of about 3 μm prepared at the Optoelectronics Institute were put into a thermal treatment vacuum chamber and bombarded with electrons from a 100 W electron gun After the treatment, they were tested for changes of elemental composition of the surface and structure at the Polytechnic University. The structure tests were performed on a DRON 3 M diffractometer, with a Co tube (λKα = 1.7903 A)—the angular regions studied were around 34° (1 0 0) and 69° (2 0 0). In the present time, the trajectories of the positron are going to be simulated with dedicated software (an ion and electron optics simulator). For the coincidence measurements (CDBS) set-up we used a home-made 22NaCl source, by separation without carrier from a metallic Mg target irradiated with 12 MeV protons and separated by columnar cation exchange. A home- made biparametric system for CDBS measurements will be reported, also.

15. Status and Perspectives for a Slow Positron Beam Facility at the HH-NIPNE Bucharest

Straticiuc, Mihai; Craciun, Liviu Stefan; Constantinescu, Olimpiu; Ghita, Ionica Alina; Ionescu, Cristina; Racolta, Petru Mihai; Vasilescu, Angela; Braic, Viorel; Zoita, Catalin; Kiss, Adrian; Bojin, Dionezie

2009-03-01

The development of a positron annihilation spectroscopy laboratory at the HH-NIPNE Bucharest-to be used for material studies and applications was started in the last 10 years. In the framework of a national research project extended over the last 3 years, was designed a low energy positron accelerator, as a high-vacuum dedicated beam line with two options: a 25 mCi 22NaCl source and in line with the NIPNE-cyclotron or a new intense compact cyclotron. The construction of the beam line was planned as a sequence of modules: source- moderator system; magnetical filter for fast positrons in order to select the positrons energies in the range 0.8-1 keV; a modular system for focusing, transport and acceleration of monoenergetic positrons in the energy range 0.8-50 keV and a CDBS analysis chamber. The moderator proposed-is tungsten as a foil of about 3 μm prepared at the Optoelectronics Institute were put into a thermal treatment vacuum chamber and bombarded with electrons from a 100 W electron gun After the treatment, they were tested for changes of elemental composition of the surface and structure at the Polytechnic University. The structure tests were performed on a DRON 3 M diffractometer, with a Co tube (λKα = 1.7903 A)-the angular regions studied were around 34° (1 0 0) and 69° (2 0 0). In the present time, the trajectories of the positron are going to be simulated with dedicated software (an ion and electron optics simulator). For the coincidence measurements (CDBS) set-up we used a home-made 22NaCl source, by separation without carrier from a metallic Mg target irradiated with 12 MeV protons and separated by columnar cation exchange. A home- made biparametric system for CDBS measurements will be reported, also.

16. Unthermalized positrons in gamma ray burst sources

NASA Technical Reports Server (NTRS)

Tkaczyk, W.; Karakula, S.

1992-01-01

The spectra of the broadening 0.511 MeV annihilation line produced by high temperatures was calculated in the case of unthermalized plasma; i.e., T sub e(+) is not = T sub e(-). The flattening in the spectrum of the annihilation lines for large differences of electron and positron temperatures is a strong indication that the observed features of the hard tailed spectrum of the gamma bursts can be well described by annihilation of unthermalized positrons. It is proposed that the charge separation occurring in Eddington limited accretion onto a neutron star or the one photon p
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