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Noninvasive deep Raman detection with 2D correlation analysis
NASA Astrophysics Data System (ADS)
Kim, Hyung Min; Park, Hyo Sun; Cho, Youngho; Jin, Seung Min; Lee, Kang Taek; Jung, Young Mee; Suh, Yung Doug
The detection of poisonous chemicals enclosed in daily necessaries is prerequisite essential for homeland security with the increasing threat of terrorism. For the detection of toxic chemicals, we combined a sensitive deep Raman spectroscopic method with 2D correlation analysis. We obtained the Raman spectra from concealed chemicals employing spatially offset Raman spectroscopy in which incident line-shaped light experiences multiple scatterings before being delivered to inner component and yielding deep Raman signal. Furthermore, we restored the pure Raman spectrum of each component using 2D correlation spectroscopic analysis with chemical inspection. Using this method, we could elucidate subsurface component under thick powder and packed contents in a bottle.
Multiple-perturbation two-dimensional (2D) correlation analysis for spectroscopic imaging data
NASA Astrophysics Data System (ADS)
Shinzawa, Hideyuki; Hashimoto, Kosuke; Sato, Hidetoshi; Kanematsu, Wataru; Noda, Isao
A series of data analysis techniques, including multiple-perturbation two-dimensional (2D) correlation spectroscopy and kernel analysis, were used to demonstrate how these techniques can sort out convoluted information content underlying spectroscopic imaging data. A set of Raman spectra of polymer blends consisting of poly(methyl methacrylate) (PMMA) and polyethylene glycol (PEG) were collected under varying spatial coordinates and subjected to multiple-perturbation 2D correlation analysis and kernel analysis by using the coordinates as perturbation variables. Cross-peaks appearing in asynchronous correlation spectra indicated that the change in the spectral intensity of the free Cdbnd O band of the PMMA band occurs before that of the Cdbnd O⋯Hsbnd O band arising from the molecular interaction between PMMA and PEG. Kernel matrices, generated by carrying out 2D correlation analysis on principal component analysis (PCA) score images, revealed subtle but important discrepancy between the patterns of the images, providing additional interpretation to the PCA in an intuitively understandable manner. Consequently, the results provided apparent spectroscopic evidence that PMMA and PEG in the blends are partially miscible at the molecular level, allowing the PMMAs to respond to the perturbations in different manner.
2D correlation analysis of the magnetic excitations in Raman spectra of HoMnO3
NASA Astrophysics Data System (ADS)
Nguyen, Thi Huyen; Nguyen, Thi Minh Hien; Chen, Xiang-Bai; Yang, In-Sang; Park, Yeonju; Jung, Young Mee
2D correlation analysis is performed on the temperature-dependent Raman spectra of HoMnO3 thin films. As the temperature of the HoMnO3 thin films decrease, the depletion of the spectral weight at 336, 656, and 1304 cm-1 occurs at higher temperatures than the increase of the intensity at 508, 766, and 945 cm-1 below ∼70 K, the Néel temperature. The power spectrum asserts that all the changes in the spectral weight are strongly correlated. Most of the temperature-induced spectral changes of HoMnO3 occur at lower temperature than 70 K, while there is slight depletion of the spectral weight at 336, 656, and 1304 cm-1 even at higher temperature than 70 K. PCA scores and loading vectors plots also support these 2D correlation results. Our 2D correlation analysis supports the existence of the short range spin correlations between Mn sites in HoMnO3 even above the Néel temperature.
Multielectron Correlation in High-Harmonic Generation: A 2D Model Analysis
Sukiasyan, Suren; McDonald, Chris; Destefani, Carlos; Brabec, Thomas; Ivanov, Misha Yu.
We analyze the role of multielectron dynamics in high-harmonic generation spectroscopy, using an example of a two-electron system. We identify and systematically quantify the importance of correlation and exchange effects. One of the main sources for correlation is identified to be the polarization of the ion by the recombining continuum electron. This effect, which plays an important qualitative and quantitative role, seriously undermines the validity of the standard approaches to high-harmonic generation, which ignore the contribution of excited ionic states to the radiative recombination of the continuum electron.
Importance of the Correlation between Width and Length in the Shape Analysis of Nanorods: Use of a 2D Size Plot To Probe Such a Correlation.
Zhao, Zhihua; Zheng, Zhiqin; Roux, Clément; Delmas, Céline; Marty, Jean-Daniel; Kahn, Myrtil L; Mingotaud, Christophe
Analysis of nanoparticle size through a simple 2D plot is proposed in order to extract the correlation between length and width in a collection or a mixture of anisotropic particles. Compared to the usual statistics on the length associated with a second and independent statistical analysis of the width, this simple plot easily points out the various types of nanoparticles and their (an)isotropy. For each class of nano-objects, the relationship between width and length (i.e., the strong or weak correlations between these two parameters) may suggest information concerning the nucleation/growth processes. It allows one to follow the effect on the shape and size distribution of physical or chemical processes such as simple ripening. Various electron microscopy pictures from the literature or from the authors' own syntheses are used as examples to demonstrate the efficiency and simplicity of the proposed 2D plot combined with a multivariate analysis. PMID:27460632
Using 2D correlation analysis to enhance spectral information available from highly spatially resolved AFM-IR spectra
NASA Astrophysics Data System (ADS)
Marcott, Curtis; Lo, Michael; Hu, Qichi; Kjoller, Kevin; Boskey, Adele; Noda, Isao
The recent combination of atomic force microscopy and infrared spectroscopy (AFM-IR) has led to the ability to obtain IR spectra with nanoscale spatial resolution, nearly two orders-of-magnitude better than conventional Fourier transform infrared (FT-IR) microspectroscopy. This advanced methodology can lead to significantly sharper spectral features than are typically seen in conventional IR spectra of inhomogeneous materials, where a wider range of molecular environments are coaveraged by the larger sample cross section being probed. In this work, two-dimensional (2D) correlation analysis is used to examine position sensitive spectral variations in datasets of closely spaced AFM-IR spectra. This analysis can reveal new key insights, providing a better understanding of the new spectral information that was previously hidden under broader overlapped spectral features. Two examples of the utility of this new approach are presented. Two-dimensional correlation analysis of a set of AFM-IR spectra were collected at 200-nm increments along a line through a nucleation site generated by remelting a small spot on a thin film of poly(3-hydroxybutyrate-co-3-hydroxyhexanoate). There are two different crystalline carbonyl band components near 1720 cm-1 that sequentially disappear before a band at 1740 cm-1 due to more disordered material appears. In the second example, 2D correlation analysis of a series of AFM-IR spectra spaced every 1 μm of a thin cross section of a bone sample measured outward from an osteon center of bone growth. There are many changes in the amide I and phosphate band contours, suggesting changes in the bone structure are occurring as the bone matures.
Anisotropic multi-resolution analysis in 2D, application to long-range correlations in cloud mm-radar fields
Davis, A.B.; Clothiaux, E.
Because of Earth`s gravitational field, its atmosphere is strongly anisotropic with respect to the vertical; the effect of the Earth`s rotation on synoptic wind patterns also causes a more subtle form of anisotropy in the horizontal plane. The authors survey various approaches to statistically robust anisotropy from a wavelet perspective and present a new one adapted to strongly non-isotropic fields that are sampled on a rectangular grid with a large aspect ratio. This novel technique uses an anisotropic version of Multi-Resolution Analysis (MRA) in image analysis; the authors form a tensor product of the standard dyadic Haar basis, where the dividing ratio is {lambda}{sub z} = 2, and a nonstandard triadic counterpart, where the dividing ratio is {lambda}{sub x} = 3. The natural support of the field is therefore 2{sup n} pixels (vertically) by 3{sup n} pixels (horizontally) where n is the number of levels in the MRA. The natural triadic basis includes the French top-hat wavelet which resonates with bumps in the field whereas the Haar wavelet responds to ramps or steps. The complete 2D basis has one scaling function and five wavelets. The resulting anisotropic MRA is designed for application to the liquid water content (LWC) field in boundary-layer clouds, as the prevailing wind advects them by a vertically pointing mm-radar system. Spatial correlations are notoriously long-range in cloud structure and the authors use the wavelet coefficients from the new MRA to characterize these correlations in a multifractal analysis scheme. In the present study, the MRA is used (in synthesis mode) to generate fields that mimic cloud structure quite realistically although only a few parameters are used to control the randomness of the LWC`s wavelet coefficients.
Correlated Electron Phenomena in 2D Materials
NASA Astrophysics Data System (ADS)
Lambert, Joseph G.
In this thesis, I present experimental results on coherent electron phenomena in layered two-dimensional materials: single layer graphene and van der Waals coupled 2D TiSe2. Graphene is a two-dimensional single-atom thick sheet of carbon atoms first derived from bulk graphite by the mechanical exfoliation technique in 2004. Low-energy charge carriers in graphene behave like massless Dirac fermions, and their density can be easily tuned between electron-rich and hole-rich quasiparticles with electrostatic gating techniques. The sharp interfaces between regions of different carrier densities form barriers with selective transmission, making them behave as partially reflecting mirrors. When two of these interfaces are set at a separation distance within the phase coherence length of the carriers, they form an electronic version of a Fabry-Perot cavity. I present measurements and analysis of multiple Fabry-Perot modes in graphene with parallel electrodes spaced a few hundred nanometers apart. Transition metal dichalcogenide (TMD) TiSe2 is part of the family of materials that coined the term "materials beyond graphene". It contains van der Waals coupled trilayer stacks of Se-Ti-Se. Many TMD materials exhibit a host of interesting correlated electronic phases. In particular, TiSe2 exhibits chiral charge density waves (CDW) below TCDW ˜ 200 K. Upon doping with copper, the CDW state gets suppressed with Cu concentration, and CuxTiSe2 becomes superconducting with critical temperature of T c = 4.15 K. There is still much debate over the mechanisms governing the coexistence of the two correlated electronic phases---CDW and superconductivity. I will present some of the first conductance spectroscopy measurements of proximity coupled superconductor-CDW systems. Measurements reveal a proximity-induced critical current at the Nb-TiSe2 interfaces, suggesting pair correlations in the pure TiSe2. The results indicate that superconducting order is present concurrently with CDW in
Combining random forest and 2D correlation analysis to identify serum spectral signatures for neuro-oncology.
Smith, Benjamin R; Ashton, Katherine M; Brodbelt, Andrew; Dawson, Timothy; Jenkinson, Michael D; Hunt, Neil T; Palmer, David S; Baker, Matthew J
Fourier transform infrared (FTIR) spectroscopy has long been established as an analytical technique for the measurement of vibrational modes of molecular systems. More recently, FTIR has been used for the analysis of biofluids with the aim of becoming a tool to aid diagnosis. For the clinician, this represents a convenient, fast, non-subjective option for the study of biofluids and the diagnosis of disease states. The patient also benefits from this method, as the procedure for the collection of serum is much less invasive and stressful than traditional biopsy. This is especially true of patients in whom brain cancer is suspected. A brain biopsy is very unpleasant for the patient, potentially dangerous and can occasionally be inconclusive. We therefore present a method for the diagnosis of brain cancer from serum samples using FTIR and machine learning techniques. The scope of the study involved 433 patients from whom were collected 9 spectra each in the range 600-4000 cm(-1). To begin the development of the novel method, various pre-processing steps were investigated and ranked in terms of final accuracy of the diagnosis. Random forest machine learning was utilised as a classifier to separate patients into cancer or non-cancer categories based upon the intensities of wavenumbers present in their spectra. Generalised 2D correlational analysis was then employed to further augment the machine learning, and also to establish spectral features important for the distinction between cancer and non-cancer serum samples. Using these methods, sensitivities of up to 92.8% and specificities of up to 91.5% were possible. Furthermore, ratiometrics were also investigated in order to establish any correlations present in the dataset. We show a rapid, computationally light, accurate, statistically robust methodology for the identification of spectral features present in differing disease states. With current advances in IR technology, such as the development of rapid discrete
Comparison and Characterization of Proteomes in the ThreeDomains of Life Using 2D Correlation Analysis
NASA Astrophysics Data System (ADS)
Fujishima, K.; Komasa, M.; Kitamura, S.; Tomita, M.; Kanai, A.
Proteins are a major regulatory component in complex biological systems.Among them, DNA/RNA-binding proteins, the key components of the central dogma of molecular biology, and membrane proteins, which are necessary for both signal transduction and metabolite transport, are suggested to be the most important protein families that arose in the early stage of life. In this study, we computationally analyzed the whole proteome data of six model species to overview the protein diversity in the three domains of life (Bacteria, Archaea and Eukaryota), especially focusing on the above two protein families. To compare the protein distribution among the six model species, we calculated various protein profiles: hydropathy, molecular weight, amino acid composition and periodicity for each protein. We found a domain-specific distribution of the proteome based on 2D correlation analysis of hydropathy and molecular weight. Further, the merged protein distribution of Archaea and other do mains revealed many membrane proteins localized in Bacteria-specific regions with a high ratio of hydropathy and many DNA/RNA-binding proteins localized in Eukaryota-specific regions with a low ratio of hydropathy. Since about half of the proteins encoded in the genome are still functionally unknown, we further conducted Support Vector Machine (SVM)-based functional prediction using amino acid composition (CO score) and periodicity (PD score) as feature vectors to predict the overall number of DNA/RNA-binding proteins and membrane proteins in the proteome. Our estimation indicated that two functional categories occupy approximately 60% to 80% of the proteome, and further, the proportion of the two categories varied among the three domains of life, suggesting that the proteome has gone through different selective pressure during evolution.
[Identification and analysis of genuine and false Flos Rosae Rugosae by FTIR and 2D correlation IR spectroscopy].
Cai, Fang; Sun, Su-qin; Yan, Wen-rong; Niu, Shi-jie; Li, Xian-en
The genuine and false Flos Rosae Rugosae (Flos Rosae Chinensis and Flos Rosa multiflora) were examined in terms of their differences by using Fourier transform infrared spectroscopy (FTIR) combined with two-dimensional (2D) correlation IR spectroscopy. The three species were shown very similar in FTIR spectra. The peak of 1318 cm(-1) of genuine Flos Rosae Rugosae is not obvious but this peak could be found sharp in Flos Rosae Chinensis and Flos Rosa multiflora. Generally, the second derivative IR spectrum can clearly enhance the spectral resolution. Flos Rosae Rugosae and Flos rosae Chinensis have aromatic compounds distinct fingerprint characteristics at 1 617 and 1 618 cm(-1), respectively. Nevertheless, FlosRosa multiflora has the peak at 1612 cm(-1). There is a discrepancy of 5 to 6 cm(-1). FlosRosa multiflora has glucide's distinct fingerprint characteristics at 1 044 cm(-1), but Flos Rosae Rugosae and Flos Rosae Chinensis don't. The second derivative infrared spectra indicated different fingerprint characteristics. Three of them showed aromatic compounds with autopeaks at 1620, 1560 and 1460 cm(-1). Flos Rosae Chinensis and Flos Rosa multiflora have the shoulder peak at 1660 cm(-1). In the range of 850-1250 cm(-1), three of them are distinct different, Flos Rosae Rugosae has the strongest autopeak, Flos Rosae Chinensis has the feeble autopeak and Flos Rosa multiflora has no autopeak at 1050 cm(-1). In third-step identification, the different contents of aromatic compounds and glucide in Flos Rosae Rugosae, Flos Rosae Chinensis and Flos Rosa multiflora were revealed. It is proved that the method is fast and effective for distinguishing and analyzing genuine Flos Rosae Rugosae and false Flos Rosae Rugosae (Flos Rosae Chinensis and Flos Rosa multiflora). PMID:19950645
2D Raman correlation analysis of formation mechanism of passivating film on overcharged LiCoO2 electrode with additive system
NASA Astrophysics Data System (ADS)
Park, Yeonju; Shin, Su Hyun; Lee, Sung Man; Kim, Sung Phil; Choi, Hyun Chul; Jung, Young Mee
The effect of vinylene carbonate (VC) as solid electrolyte interface (SEI)-forming additive on the electrochemical performance of the LiCoO2 cathode was investigated by galvanostatic charge-discharge testing as well as Raman and 2D correlation spectroscopy. It was found that VC-containing electrolyte has a positive effect on capacity fading. An analysis of the 2D Raman correlation spectra suggested that even though the same SEI components (i.e., Co3O4 and Li2O) are produced on the cathode surface, the electrochemical reaction kinetics in the cathode/electrolyte interface differ according to the non-use or use of VC: in the latter case, formation of the SEI components is delayed.
Volatility-dependent 2D IR correlation analysis of traditional Chinese medicine 'Red Flower Oil' preparation from different manufacturers
NASA Astrophysics Data System (ADS)
Wu, Yan-Wen; Sun, Su-Qin; Zhou, Qun; Tao, Jia-Xun; Noda, Isao
As a traditional Chinese medicine (TCM), 'Red Flower Oil' preparation is widely used as a household remedy in China and Southeast Asia. Usually, the preparation is a mixture of several plant essential oils with different volatile features, such as wintergreen oil, turpentine oil and clove oil. The proportions of these plant essential oils in 'Red Flower Oil' vary from different manufacturers. Thus, it is important to develop a simple and rapid evaluation method for quality assurance of the preparations. Fourier transform infrared (FT-IR) was applied and two-dimensional correlation infrared spectroscopy (2D IR) based on the volatile characteristic of samples was used to enhance the resolution of FT-IR spectra. 2D IR technique could, not only easily provide the composition and their volatile sequences in 'Red flower Oil' preparations, but also rapidly discriminate the subtle differences in products from different manufacturers. Therefore, FT-IR combined with volatility-dependent 2D IR correlation analysis provides a very fast and effective method for the quality control of essential oil mixtures in TCM.
Near-infrared (NIR) imaging analysis of polylactic acid (PLA) nanocomposite by multiple-perturbation two-dimensional (2D) correlation spectroscopy
NASA Astrophysics Data System (ADS)
Shinzawa, Hideyuki; Murakami, Takurou N.; Nishida, Masakazu; Kanematsu, Wataru; Noda, Isao
Multiple-perturbation two-dimensional (2D) correlation spectroscopy was applied to sets of near-infrared (NIR) imaging data of polylactic acid (PLA) nanocomposite samples undergoing UV degradation. Incorporation of clay nanoparticles substantially lowers the surface free energy barrier for the nucleation of PLA and eventually increases the frequency of the spontaneous nucleation of PLA crystals. Thus, when exposed to external stimuli such as UV light, PLA nanocomposite may show different structure alternation depending on the clay dispersion. Multiple-perturbation 2D correlation analysis of the PLA nanocomposite samples revealed different spatial variation between crystalline and amorphous structure of PLA, and the phenomenon especially becomes acute in the region where the clay particles are coagulated. The incorporation of the clay leads to the cleavage-induced crystallization of PLA when the sample is subjected to the UV light. The additional development of the ordered crystalline structure then works favorably to restrict the initial degradation of the polymer, providing the delay in the weight loss of the PLA.
Human erythrocytes analyzed by generalized 2D Raman correlation spectroscopy
NASA Astrophysics Data System (ADS)
Wesełucha-Birczyńska, Aleksandra; Kozicki, Mateusz; Czepiel, Jacek; Łabanowska, Maria; Nowak, Piotr; Kowalczyk, Grzegorz; Kurdziel, Magdalena; Birczyńska, Malwina; Biesiada, Grażyna; Mach, Tomasz; Garlicki, Aleksander
The most numerous elements of the blood cells, erythrocytes, consist mainly of two components: homogeneous interior filled with hemoglobin and closure which is the cell membrane. To gain insight into their specific properties we studied the process of disintegration, considering these two constituents, and comparing the natural aging process of human healthy blood cells. MicroRaman spectra of hemoglobin within the single RBC were recorded using 514.5, and 785 nm laser lines. The generalized 2D correlation method was applied to analyze the collected spectra. The time passed from blood donation was regarded as an external perturbation. The time was no more than 40 days according to the current storage limit of blood banks, although, the average RBC life span is 120 days. An analysis of the prominent synchronous and asynchronous cross peaks allow us to get insight into the mechanism of hemoglobin decomposition. Appearing asynchronous cross-peaks point towards globin and heme separation from each other, while synchronous shows already broken globin into individual amino acids. Raman scattering analysis of hemoglobin "wrapping", i.e. healthy erythrocyte ghosts, allows for the following peculiarity of their behavior. The increasing power of the excitation laser induced alterations in the assemblage of membrane lipids. 2D correlation maps, obtained with increasing laser power recognized as an external perturbation, allows for the consideration of alterations in the erythrocyte membrane structure and composition, which occurs first in the proteins. Cross-peaks were observed indicating an asynchronous correlation between the senescent-cell antigen (SCA) and heme or proteins vibrations. The EPR spectra of the whole blood was analyzed regarding time as an external stimulus. The 2D correlation spectra points towards participation of the selected metal ion centers in the disintegration process.
Geometrical Correlation and Matching of 2d Image Shapes
NASA Astrophysics Data System (ADS)
Vizilter, Y. V.; Zheltov, S. Y.
The problem of image correspondence measure selection for image comparison and matching is addressed. Many practical applications require image matching "just by shape" with no dependence on the concrete intensity or color values. Most popular technique for image shape comparison utilizes the mutual information measure based on probabilistic reasoning and information theory background. Another approach was proposed by Pytiev (so called "Pytiev morphology") based on geometrical and algebraic reasoning. In this framework images are considered as piecewise-constant 2D functions, tessellation of image frame by the set of non-intersected connected regions determines the "shape" of image and the projection of image onto the shape of other image is determined. Morphological image comparison is performed using the normalized morphological correlation coefficients. These coefficients estimate the closeness of one image to the shape of other image. Such image analysis technique can be characterized as an ""ntensity-to-geometry" matching. This paper generalizes the Pytiev morphological approach for obtaining the pure "geometry-to-geometry" matching techniques. The generalized intensity-geometrical correlation coefficient is proposed including the linear correlation coefficient and the square of Pytiev correlation coefficient as its partial cases. The morphological shape correlation coefficient is proposed based on the statistical averaging of images with the same shape. Centered morphological correlation coefficient is obtained under the condition of intensity centering of averaged images. Two types of symmetric geometrical normalized correlation coefficients are proposed for comparison of shape-tessellations. The technique for correlation and matching of shapes with ordered intensities is proposed with correlation measures invariant to monotonous intensity transformations. The quality of proposed geometrical correlation measures is experimentally estimated in the task of
Ring Correlations in Two-Dimensional (2D) Random Networks
NASA Astrophysics Data System (ADS)
Sadjadi, Mahdi; Thorpe, M. F.
Amorphous materials can be characterized by their ring structure. Recently, two experimental groups imaged bilayers of vitreous silica at atomic resolution which provides a direct access to the ring structure of a 2D glass. It has been shown that experimental samples have various ring statistics, obey Aboav-Weaire law and have a distinct area law. In this work, we study correlations between rings as a function of their size and topological separation. We show that correlation is medium-range and vanishes when the separation is about three rings apart. We also present a generalization of the Aboav-Weaire law.
Transport Experiments on 2D Correlated Electron Physics in Semiconductors
Tsui, Daniel
This research project was designed to investigate experimentally the transport properties of the 2D electrons in Si and GaAs, two prototype semiconductors, in several new physical regimes that were previously inaccessible to experiments. The research focused on the strongly correlated electron physics in the dilute density limit, where the electron potential energy to kinetic energy ratio rs>>1, and on the fractional quantum Hall effect related physics in nuclear demagnetization refrigerator temperature range on samples with new levels of purity and controlled random disorder.
Parallel map analysis on 2-D grids
Berry, M.; Comiskey, J.; Minser, K.
In landscape ecology, computer modeling is used to assess habitat fragmentation and its ecological iMPLications. Specifically, maps (2-D grids) of habitat clusters must be analyzed to determine number, sizes and geometry of clusters. Models prior to this study relied upon sequential Fortran-77 programs which limited the sizes of maps and densities of clusters which could be analyzed. In this paper, we present more efficient computer models which can exploit recursion or parallelism. Significant improvements over the original Fortran-77 programs have been achieved using both recursive and nonrecursive C implementations on a variety of workstations such as the Sun Sparc 2, IBM RS/6000-350, and HP 9000-750. Parallel implementations on a 4096-processor MasPar MP-1 and a 32-processor CM-5 are also studied. Preliminary experiments suggest that speed improvements for the parallel model on the MasPar MP-1 (written in MPL) and on the CM-5 (written in C using CMMD) can be as much as 39 and 34 times faster, respectively, than the most efficient sequential C program on a Sun Sparc 2 for a 512 map. An important goal in this research effort is to produce a scalable map analysis algorithm for the identification and characterization of clusters for relatively large maps on massively-parallel computers.
Region-based Statistical Analysis of 2D PAGE Images
Li, Feng; Seillier-Moiseiwitsch, Françoise; Korostyshevskiy, Valeriy R.
A new comprehensive procedure for statistical analysis of two-dimensional polyacrylamide gel electrophoresis (2D PAGE) images is proposed, including protein region quantification, normalization and statistical analysis. Protein regions are defined by the master watershed map that is obtained from the mean gel. By working with these protein regions, the approach bypasses the current bottleneck in the analysis of 2D PAGE images: it does not require spot matching. Background correction is implemented in each protein region by local segmentation. Two-dimensional locally weighted smoothing (LOESS) is proposed to remove any systematic bias after quantification of protein regions. Proteins are separated into mutually independent sets based on detected correlations, and a multivariate analysis is used on each set to detect the group effect. A strategy for multiple hypothesis testing based on this multivariate approach combined with the usual Benjamini-Hochberg FDR procedure is formulated and applied to the differential analysis of 2D PAGE images. Each step in the analytical protocol is shown by using an actual dataset. The effectiveness of the proposed methodology is shown using simulated gels in comparison with the commercial software packages PDQuest and Dymension. We also introduce a new procedure for simulating gel images. PMID:21850152
A novel improved method for analysis of 2D diffusion relaxation data—2D PARAFAC-Laplace decomposition
NASA Astrophysics Data System (ADS)
Tønning, Erik; Polders, Daniel; Callaghan, Paul T.; Engelsen, Søren B.
This paper demonstrates how the multi-linear PARAFAC model can with advantage be used to decompose 2D diffusion-relaxation correlation NMR spectra prior to 2D-Laplace inversion to the T2- D domain. The decomposition is advantageous for better interpretation of the complex correlation maps as well as for the quantification of extracted T2- D components. To demonstrate the new method seventeen mixtures of wheat flour, starch, gluten, oil and water were prepared and measured with a 300 MHz nuclear magnetic resonance (NMR) spectrometer using a pulsed gradient stimulated echo (PGSTE) pulse sequence followed by a Carr-Purcell-Meiboom-Gill (CPMG) pulse echo train. By varying the gradient strength, 2D diffusion-relaxation data were recorded for each sample. From these double exponentially decaying relaxation data the PARAFAC algorithm extracted two unique diffusion-relaxation components, explaining 99.8% of the variation in the data set. These two components were subsequently transformed to the T2- D domain using 2D-inverse Laplace transformation and quantitatively assigned to the oil and water components of the samples. The oil component was one distinct distribution with peak intensity at D = 3 × 10 -12 m 2 s -1 and T2 = 180 ms. The water component consisted of two broad populations of water molecules with diffusion coefficients and relaxation times centered around correlation pairs: D = 10 -9 m 2 s -1, T2 = 10 ms and D = 3 × 10 -13 m 2 s -1, T2 = 13 ms. Small spurious peaks observed in the inverse Laplace transformation of original complex data were effectively filtered by the PARAFAC decomposition and thus considered artefacts from the complex Laplace transformation. The oil-to-water ratio determined by PARAFAC followed by 2D-Laplace inversion was perfectly correlated with known oil-to-water ratio of the samples. The new method of using PARAFAC prior to the 2D-Laplace inversion proved to have superior potential in analysis of diffusion-relaxation spectra, as it
Identification of Serine Conformers by Matrix-Isolation IR Spectroscopy Aided by Near-Infrared Laser-Induced Conformational Change, 2D Correlation Analysis, and Quantum Mechanical Anharmonic Computations.
Najbauer, Eszter E; Bazsó, Gábor; Apóstolo, Rui; Fausto, Rui; Biczysko, Malgorzata; Barone, Vincenzo; Tarczay, György
The conformers of α-serine were investigated by matrix-isolation IR spectroscopy combined with NIR laser irradiation. This method, aided by 2D correlation analysis, enabled unambiguously grouping the spectral lines to individual conformers. On the basis of comparison of at least nine experimentally observed vibrational transitions of each conformer with empirically scaled (SQM) and anharmonic (GVPT2) computed IR spectra, six conformers were identified. In addition, the presence of at least one more conformer in Ar matrix was proved, and a short-lived conformer with a half-life of (3.7 ± 0.5) × 10(3) s in N2 matrix was generated by NIR irradiation. The analysis of the NIR laser-induced conversions revealed that the excitation of the stretching overtone of both the side chain and the carboxylic OH groups can effectively promote conformational changes, but remarkably different paths were observed for the two kinds of excitations. PMID:26201050
2D Wavefront Sensor Analysis and Control
Energy Science and Technology Software Center (ESTSC)
This software is designed for data acquisition and analysis of two dimensional wavefront sensors. The software includes data acquisition and control functions for an EPIX frame grabber to acquire data from a computer and all the appropriate analysis functions necessary to produce and display intensity and phase information. This software is written in Visual Basic for windows.
Interpreting digit ratio (2D:4D)-behavior correlations: 2D:4D sex difference, stability, and behavioral correlates and their replicability in young children.
Wong, Wang I; Hines, Melissa
The popularity of using the ratio of the second to the fourth digit (2D:4D) to study influences of early androgen exposure on human behavior relies, in part, on a report that the ratio is sex-dimorphic and stable from age 2 years (Manning etal., 1998). However, subsequent research has rarely replicated this finding. Moreover, although 2D:4D has been correlated with many behaviors, these correlations are often inconsistent. Young children's 2D:4D-behavior correlations may be more consistent than those of older individuals, because young children have experienced fewer postnatal influences. To evaluate the usefulness of 2D:4D as a biomarker of prenatal androgen exposure in studies of 2D:4D-behavior correlations, we assessed its sex difference, temporal stability, and behavioral correlates over a 6- to 8-month period in 126, 2- to 3-year-old children, providing a rare same-sample replicability test. We found a moderate sex difference on both hands and high temporal stability. However, between-sex overlap and within-sex variability were also large. Only 3 of 24 correlations with sex-typed behaviors-scores on the Preschool Activities Inventory (PSAI), preference for a boy-typical toy, preference for a girl-typical toy, were significant and in the predicted direction, all of which involved the PSAI, partially confirming findings from another study. Correlation coefficients were larger for behaviors that showed larger sex differences. But, as in older samples, the overall pattern showed inconsistency across time, sex, and hand. Therefore, although sex-dimorphic and stable, 2D:4D-behavior correlations are no more consistent for young children than for older samples. Theoretical and methodological implications are discussed. PMID:26542674
Bond Order Correlations in the 2D Hubbard Model
NASA Astrophysics Data System (ADS)
Moore, Conrad; Abu Asal, Sameer; Yang, Shuxiang; Moreno, Juana; Jarrell, Mark
We use the dynamical cluster approximation to study the bond correlations in the Hubbard model with next nearest neighbor (nnn) hopping to explore the region of the phase diagram where the Fermi liquid phase is separated from the pseudogap phase by the Lifshitz line at zero temperature. We implement the Hirsch-Fye cluster solver that has the advantage of providing direct access to the computation of the bond operators via the decoupling field. In the pseudogap phase, the parallel bond order susceptibility is shown to persist at zero temperature while it vanishes for the Fermi liquid phase which allows the shape of the Lifshitz line to be mapped as a function of filling and nnn hopping. Our cluster solver implements NVIDIA's CUDA language to accelerate the linear algebra of the Quantum Monte Carlo to help alleviate the sign problem by allowing for more Monte Carlo updates to be performed in a reasonable amount of computation time. Work supported by the NSF EPSCoR Cooperative Agreement No. EPS-1003897 with additional support from the Louisiana Board of Regents.
Microscale 2D separation systems for proteomic analysis
Xu, Xin; Liu, Ke; Fan, Z. Hugh
Microscale 2D separation systems have been implemented in capillaries and microfabricated channels. They offer advantages of faster analysis, higher separation efficiency and less sample consumption than the conventional methods, such as liquid chromatography (LC) in a column and slab gel electrophoresis. In this article, we review their recent advancement, focusing on three types of platforms, including 2D capillary electrophoresis (CE), CE coupling with capillary LC, and microfluidic devices. A variety of CE and LC modes have been employed to construct 2D separation systems via sophistically designed interfaces. Coupling of different separation modes has also been realized in a number of microfluidic devices. These separation systems have been applied for the proteomic analysis of various biological samples, ranging from a single cell to tumor tissues. PMID:22462786
Effects of 2D and Finite Density Fluctuations on O-X Correlation Reflectometry
G.J. Kramer; R. Nazikian; E. Valeo
The correlation between O-mode and X-mode reflectometer signals is studied with a 1D and 2D reflectometer model in order to explore its feasibilities as a q-profile diagnostic. It was found that 2D effects and finite fluctuation levels both decrease the O-X correlation. At very low fluctuation levels, which are usually present in the plasma core, there is good possibility to determine the local magnetic field strength and use that as a constraint for the equilibrium reconstruction.
Enhancement of long-range correlations in a 2D vortex lattice by an incommensurate 1D disorder potential
NASA Astrophysics Data System (ADS)
Guillamon, I.; Vieira, S.; Suderow, H.; Cordoba, R.; Sese, J.; de Teresa, J. M.; Ibarra, R.
In two dimensional (2D) systems, theory has proposed that random disorder destroys long range correlations driving a transition to a glassy state. Here, I will discuss new insights into this issue obtained through the direct visualization of the critical behaviour of a 2D superconducting vortex lattice formed in a thin film with a smooth 1D thickness modulation. Using scanning tunneling microscopy at 0.1K, we have tracked the modification in the 2D vortex arrangements induced by the 1D thickness modulation while increasing the vortex density by three orders of magnitude. Upon increasing the field, we observed a two-step order-disorder transition in the 2D vortex lattice mediated by the appearance of dislocations and disclinations and accompanied by an increase in the local vortex density fluctuations. Through a detailed analysis of correlation functions, we find that the transition is driven by the incommensurate 1D thickness modulation. We calculate the critical points and exponents and find that they are well above theoretical expectation for random disorder. Our results show that long range 1D correlations in random potentials enhance the stability range of the ordered phase in a 2D vortex lattice. Work supported by Spanish MINECO, CIG Marie Curie Grant, Axa Research Fund and FBBVA.
CC2D2A mutations in Meckel and Joubert syndromes indicate a genotype-phenotype correlation
Mougou-Zerelli, Soumaya; Thomas, Sophie; Szenker, Emmanuelle; Audollent, Sophie; Elkhartoufi, Nadia; Babarit, Candice; Romano, Stéphane; Salomon, Rémi; Amiel, Jeanne; Esculpavit, Chantal; Gonzales, Marie; Escudier, Estelle; Leheup, Bruno; Loget, Philippe; Odent, Sylvie; Roume, Joëlle; Gérard, Marion; Delezoide, Anne-Lise; Khung, Suonavy; Patrier, Sophie; Cordier, Marie-Pierre; Bouvier, Raymonde; Martinovic, Jéléna; Gubler, Marie-Claire; Boddaert, Nathalie; Munnich, Arnold; Encha-Razavi, Férechté; Valente, Enza Maria; Saad, Ali; Saunier, Sophie; Vekemans, Michel; Attié-Bitach, Tania
The Meckel syndrome (MKS) is a lethal fetal disorder characterized by diffuse renal cystic dysplasia, polydactyly, a brain malformation that is usually occipital encephalocele and/or vermian agenesis, with intrahepatic biliary duct proliferation. Joubert syndrome (JBS) is a viable neurological disorder with a characteristic "molar tooth sign" (MTS) on axial images reflecting cerebellar vermian hypoplasia/dysplasia. Both conditions are classified as ciliopathies with an autosomal recessive mode of inheritance. Allelism of MS and JBS has been reported for TMEM67/MKS3, CEP290/MKS4, and RPGRIP1L/MKS5. Recently, one homozygous splice mutation with a founder effect was reported in the CC2D2A gene in Finnish fetuses with MKS, defining the 6th locus for MKS. Shortly thereafter, CC2D2A mutations were reported in JBS also. The analysis of the CC2D2A gene in our series of MKS fetuses, identified 14 novel truncating mutations in 11 cases. These results confirm the involvement of CC2D2A in MKS and reveal a major contribution of CC2D2A to the disease. We also identified three missense CC2D2A mutations in two JBS cases. Therefore and in accordance with the data reported regarding RPGRIP1L, our results indicate phenotype-genotype correlations, as missense and presumably hypomorphic mutations lead to JBS while all null alleles lead to MKS. PMID:19777577
Finite Element Analysis of 2-D Elastic Contacts Involving FGMs
NASA Astrophysics Data System (ADS)
Abhilash, M. N.; Murthy, H.
The response of elastic indenters in contact with Functionally Graded Material (FGM) coated homogeneous elastic half space has been presented in the current paper. Finite element analysis has been used due to its ability to handle complex geometry, material, and boundary conditions. Indenters of different typical surface profiles have been considered and the problem has been idealized as a two-dimensional (2D) plane strain problem considering only normal loads. Initially, indenters were considered to be rigid and the results were validated with the solutions presented in the literature. The analysis has then been extended to the case of elastic indenters on FGM-coated half spaces and the results are discussed.
A comparison of 2D and 3D digital image correlation for a membrane under inflation
NASA Astrophysics Data System (ADS)
Murienne, Barbara J.; Nguyen, Thao D.
Three-dimensional (3D) digital image correlation (DIC) is becoming widely used to characterize the behavior of structures undergoing 3D deformations. However, the use of 3D-DIC can be challenging under certain conditions, such as high magnification, and therefore small depth of field, or a highly controlled environment with limited access for two-angled cameras. The purpose of this study is to compare 2D-DIC and 3D-DIC for the same inflation experiment and evaluate whether 2D-DIC can be used when conditions discourage the use of a stereo-vision system. A latex membrane was inflated vertically to 5.41 kPa (reference pressure), then to 7.87 kPa (deformed pressure). A two-camera stereo-vision system acquired top-down images of the membrane, while a single camera system simultaneously recorded images of the membrane in profile. 2D-DIC and 3D-DIC were used to calculate horizontal (in the membrane plane) and vertical (out of the membrane plane) displacements, and meridional strain. Under static conditions, the baseline uncertainty in horizontal displacement and strain were smaller for 3D-DIC than 2D-DIC. However, the opposite was observed for the vertical displacement, for which 2D-DIC had a smaller baseline uncertainty. The baseline absolute error in vertical displacement and strain were similar for both DIC methods, but it was larger for 2D-DIC than 3D-DIC for the horizontal displacement. Under inflation, the variability in the measurements were larger than under static conditions for both DIC methods. 2D-DIC showed a smaller variability in displacements than 3D-DIC, especially for the vertical displacement, but a similar strain uncertainty. The absolute difference in the average displacements and strain between 3D-DIC and 2D-DIC were in the range of the 3D-DIC variability. Those findings suggest that 2D-DIC might be used as an alternative to 3D-DIC to study the inflation response of materials under certain conditions.
Gint2D-T2 correlation NMR of porous media
NASA Astrophysics Data System (ADS)
Zhang, Yan; Blümich, Bernhard
The internal magnetic field gradient induced in porous media by magnetic susceptibility differences at material interfaces impacts diffusion measurements in particular at high magnetic field and can be used to probe the pore structure. Insight about the relationship between pore space and internal gradient Gint can be obtained from 2D Laplace NMR experiments. When measuring distributions of transverse relaxation times T2 in fluid filled porous media, relaxation and diffusion in internal gradients arise simultaneously and data are often interpreted with the assumption that one or the other parameter be constant throughout the sample. To examine this assumption we measure correlations of the distributions of Gint2D and T2 by 2D Laplace NMR for three different kinds of samples, glass beads with different bead diameters saturated with water, glass beads filled with oil and water, and a wet mortar sample. For the first two samples the cases where either the internal gradient or diffusion dominates were examined separately in order to better understand the relationship between Gint and D. These results are useful for assessing the impact of internal gradients and diffusion in unknown samples, such as the mortar sample. The experiments were performed at different magnetic field strengths corresponding to 300 MHz and 700 MHz 1H Larmor frequency to identify the impact of the magnetic field on the internal gradient. Subsequently, spatially resolved Gint2D-T2 maps were obtained to study the sample heterogeneity.
Gint2D-T2 correlation NMR of porous media.
Zhang, Yan; Blümich, Bernhard
The internal magnetic field gradient induced in porous media by magnetic susceptibility differences at material interfaces impacts diffusion measurements in particular at high magnetic field and can be used to probe the pore structure. Insight about the relationship between pore space and internal gradient G(int) can be obtained from 2D Laplace NMR experiments. When measuring distributions of transverse relaxation times T(2) in fluid filled porous media, relaxation and diffusion in internal gradients arise simultaneously and data are often interpreted with the assumption that one or the other parameter be constant throughout the sample. To examine this assumption we measure correlations of the distributions of G(int)(2)D and T(2) by 2D Laplace NMR for three different kinds of samples, glass beads with different bead diameters saturated with water, glass beads filled with oil and water, and a wet mortar sample. For the first two samples the cases where either the internal gradient or diffusion dominates were examined separately in order to better understand the relationship between G(int) and D. These results are useful for assessing the impact of internal gradients and diffusion in unknown samples, such as the mortar sample. The experiments were performed at different magnetic field strengths corresponding to 300 MHz and 700 MHz (1)H Larmor frequency to identify the impact of the magnetic field on the internal gradient. Subsequently, spatially resolved Gint(2)D-T(2) maps were obtained to study the sample heterogeneity. PMID:25723135
Automatic angle measurement of a 2D object using optical correlator-neural networks hybrid system
NASA Astrophysics Data System (ADS)
Manivannan, N.; Neil, M. A. A.
In this paper a novel method is proposed and demonstrated for automatic rotation angle measurement of a 2D object using a hybrid architecture, consisting of a 4f optical correlator with a binary phase only multiplexed matched filter and a single layer neural network. The hybrid set-up can be considered as a two-layer perceptron-like neural network; an optical correlator is the first layer and the standard single layer neural network is the second layer. The training scheme used to train the hybrid architecture is a combination of a Direct Binary Search algorithm, to train the optical correlator, and an Error Back Propagation algorithm, to train the neural network. The aim is to perform the major information processing by the optical correlator with a small additional processing by the neural network stage. This allows the system to be used for real-time applications as optics has the inherent ability to process information in a parallel manner at high speed. The neural network stage gives an extra dimension of freedom so that complicated tasks like automatic rotation angle measurement can be achieved. Results of both computer simulation and experimental set-up are presented for rotation angle measurement of an English alphabetic character as a 2D object. The experimental set-up consists of a real optical correlator using two spatial light modulators for both input and frequency plane representations and a PC based model of a single layer network.
Efficient implementation of the rank correlation merit function for 2D/3D registration.
Figl, M; Bloch, C; Gendrin, C; Weber, C; Pawiro, S A; Hummel, J; Markelj, P; Pernus, F; Bergmann, H; Birkfellner, W
A growing number of clinical applications using 2D/3D registration have been presented recently. Usually, a digitally reconstructed radiograph is compared iteratively to an x-ray image of the known projection geometry until a match is achieved, thus providing six degrees of freedom of rigid motion which can be used for patient setup in image-guided radiation therapy or computer-assisted interventions. Recently, stochastic rank correlation, a merit function based on Spearman's rank correlation coefficient, was presented as a merit function especially suitable for 2D/3D registration. The advantage of this measure is its robustness against variations in image histogram content and its wide convergence range. The considerable computational expense of computing an ordered rank list is avoided here by comparing randomly chosen subsets of the DRR and reference x-ray. In this work, we show that it is possible to omit the sorting step and to compute the rank correlation coefficient of the full image content as fast as conventional merit functions. Our evaluation of a well-calibrated cadaver phantom also confirms that rank correlation-type merit functions give the most accurate results if large differences in the histogram content for the DRR and the x-ray image are present. PMID:20844334
2D axisymmetric analysis of SRM ignition transient
NASA Astrophysics Data System (ADS)
Bai, S. D.; Han, Samuel S.; Pardue, B. A.
To analyze ignition transient of Space Shuttle solid rocket motor, a transient two-dimensional numerical model based on turbulent compressible Navier-Stokes equations in a generalized coordinate system was developed. One-dimensional numerical models (Peretz et al., 1973; Han, 1992; Pardue and Han, 1992) with empirical correlations data obtained from steady turbulent boundary layer flows agrees reasonably well with test rocket data by adjusting a few parameters. However, a 1D model can not provide a physical insight into the complex multidimensional thermal fields and flowfields in the chamber and the converging-diverging rocket nozzle. As an interim step, a 2D model was developed and compared with test data. A modified version of SIMPLE algorithm was used for the numerical model, and the standard k-epsilon model with a wall function was used for turbulence closure. Transient flowfields and thermal fields in the combustion chamber and the attached nozzle were obtained for a selected rocket geometry and propellant. Transient behaviors of the flow and thermal fields were analyzed, and were found to be in good agreement with physical expectations.
Evidence for a New Intermediate Phase in a Strongly Correlated 2D System near Wigner Crystallization
NASA Astrophysics Data System (ADS)
Gao, Xuan; Qiu, Richard; Goble, Nicholas; Serafin, Alex; Yin, Liang; Xia, Jian-Sheng; Sullivan, Neil; Pfeiffer, Loren; West, Ken
How the two dimensional (2D) quantum Wigner crystal (WC) transforms into the metallic liquid phase remains an outstanding problem in physics. In theories considering the 2D WC to liquid transition in the clean limit, it was suggested that a number of intermediate phases might exist. We have studied the transformation between the metallic fluid phase and the low magnetic field reentrant insulating phase (RIP) which was interpreted as due to the WC [Qiu et al., PRL 108, 106404 (2012)], in a strongly correlated 2D hole system in GaAs quantum well with large interaction parameter rs (~20-30) and high mobility. Instead of a sharp transition, we found that increasing density (or lowering rs) drives the RIP into a state where the incipient RIP coexists with Fermi liquid. This apparent mixture phase intermediate between Fermi liquid and WC also exhibits a non-trivial temperature dependent resistivity behavior which can be qualitatively understood by the reversed melting of WC in the mixture, in analogy to the Pomeranchuk effect in the solid-liquid mixture of Helium-3. X.G. thanks NSF (DMR-0906415) for supporting work at CWRU. Experiments at the NHMFL High B/T Facility were supported by NSF Grant 0654118 and the State of Florida. L.P. thanks the Gordon and Betty Moore Foundation and NSF MRSEC (DMR-0819860) for support.
Retrospective analysis of 2D patient-specific IMRT verifications
Childress, Nathan L.; White, R. Allen; Bloch, Charles; Salehpour, Mohammad; Dong, Lei; Rosen, Isaac I.
We performed 858 two-dimensional (2D) patient-specific intensity modulated radiotherapy verifications over a period of 18 months. Multifield, composite treatment plans were measured in phantom using calibrated Kodak EDR2 film and compared with the calculated dose extracted from two treatment planning systems. This research summarizes our findings using the normalized agreement test (NAT) index and the percent of pixels failing the gamma index as metrics to represent the agreement between measured and computed dose distributions. An in-house dose comparison software package was used to register and compare all verifications. We found it was important to use an automatic positioning algorithm to achieve maximum registration accuracy, and that our automatic algorithm agreed well with anticipated results from known phantom geometries. We also measured absolute dose for each case using an ion chamber. Because the computed distributions agreed with ion chamber measurements better than the EDR2 film doses, we normalized EDR2 data to the computed distributions. The distributions of both the NAT indices and the percentage of pixels failing the gamma index were found to be exponential distributions. We continue to use both the NAT index and percent of pixels failing gamma with 5%/3 mm criteria to evaluate future verifications, as these two metrics were found to be complementary. Our data showed that using 2%/2 mm or 3%/3 mm criteria produces results similar to those using 5%/3 mm criteria. Normalized comparisons that have a NAT index greater than 45 and/or more than 20% of the pixels failing gamma for 5%/3 mm criteria represent outliers from our clinical data set and require further analysis. Because our QA verification results were exponentially distributed, rather than a tight grouping of similar results, we continue to perform patient-specific QA in order to identify and correct outliers in our verifications. The data from this work could be useful as a reference for
Exact solution of an anisotropic 2D random walk model with strong memory correlations
NASA Astrophysics Data System (ADS)
Cressoni, J. C.; Viswanathan, G. M.; da Silva, M. A. A.
Over the last decade, there has been progress in understanding one-dimensional non-Markovian processes via analytic, sometimes exact, solutions. The extension of these ideas and methods to two and higher dimensions is challenging. We report the first exactly solvable two-dimensional (2D) non-Markovian random walk model belonging to the family of the elephant random walk model. In contrast to Lévy walks or fractional Brownian motion, such models incorporate memory effects by keeping an explicit history of the random walk trajectory. We study a memory driven 2D random walk with correlated memory and stops, i.e. pauses in motion. The model has an inherent anisotropy with consequences for its diffusive properties, thereby mixing the dominant regime along one dimension with a subdiffusive walk along a perpendicular dimension. The anomalous diffusion regimes are fully characterized by an exact determination of the Hurst exponent. We discuss the remarkably rich phase diagram, as well as several possible combinations of the independent walks in both directions. The relationship between the exponents of the first and second moments is also unveiled.
Correlating Structural and Electronic Degrees of Freedom in 2D Transition Metal Dichalcogenides
NASA Astrophysics Data System (ADS)
Tung, I.-Cheng; Zhang, Z.; Seyler, K. L.; Jones, A. M.; Clark, G.; Xiao, D.; Laanait, N.; Xu, X.; Wen, H.
We have conducted a microscopic study of the interplay between structural and electronic degrees of freedom in two-dimensional (2D) transition metal dichalcogenide (TMD) monolayers, multilayers and heterostructures. Using the recently developed full field x-ray reflection interface microscopy with the photoluminescence microscopic probe capability at the Advanced Photon Source, we demonstrated the x-ray reflection imaging of a monolayer 2D material for the first time. The structural variation across an exfoliated WSe2 monolayer is quantified by interlayer spacing relative to the crystal substrate and the smoothness of the layer. This structural information is correlated with the electronic properties of TMDs characterized by the in-situ photoluminescence measurements. This work is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-SC0012509. The use of Advanced Photon Source is supported by U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357.
The 2D large deformation analysis using Daubechies wavelet
NASA Astrophysics Data System (ADS)
Liu, Yanan; Qin, Fei; Liu, Yinghua; Cen, Zhangzhi
In this paper, Daubechies (DB) wavelet is used for solution of 2D large deformation problems. Because the DB wavelet scaling functions are directly used as basis function, no meshes are needed in function approximation. Using the DB wavelet, the solution formulations based on total Lagrangian approach for two-dimensional large deformation problems are established. Due to the lack of Kroneker delta properties in wavelet scaling functions, Lagrange multipliers are used for imposition of boundary condition. Numerical examples of 2D large deformation problems illustrate that this method is effective and stable.
Four divalent transition metal carboxyarylphosphonate compounds: Hydrothermal synthesis, structural chemistry and generalized 2D FTIR correlation spectroscopy studies
NASA Astrophysics Data System (ADS)
Lei, Ran; Chai, Xiaochuan; Mei, Hongxin; Zhang, Hanhui; Chen, Yiping; Sun, Yanqiong
Four divalent transition metal carboxyarylphosphonates, [Ni(4,4'-bipy)H 2L 1(HL 1) 2(H 2O) 2]·2H 2O 1, [Ni 2(4,4'-bipy)(L 2)(OH)(H 2O) 2]·3H 2O 2, Mn(phen) 2(H 2L 1) 23 and Mn(phen)(HL 2) 4 (H 3L 1= p-H 2O 3PCH 2-C 6H 4-COOH, H 3L 2= m-H 2O 3PCH 2-C 6H 4-COOH, 4,4'-bipy=4,4'-bipyridine, phen=1,10-phenanthroline) were synthesized under hydrothermal conditions. 1 features 1D linear chains built from Ni(II) ions bridging 4,4'-bipy. In 2, neighboring Ni 4 cluster units are connected by pairs of H 3L 2 ligands to form 1D double-crankshaft chains, which are interconnected by pairs of 4,4'-bipy into 2D sheets. 3 exhibits 2D supramolecular layers via the R 22(8) ringed hydrogen bonding units. 4 has 1D ladderlike chains, in which the 4-membered rings are cross-linked by the organic moieties of the H 3L 2 ligands. Additionally, 2D FTIR correlation analysis is applied with thermal and magnetic perturbation to clarify the structural changes of functional groups from H 3L 1 and H 3L 2 ligands in the compounds more efficiently.
Statistical analysis of quiet stance sway in 2-D
DiZio, Paul; Lackner, James R.
Subjects exposed to a rotating environment that perturbs their postural sway show adaptive changes in their voluntary spatially directed postural motion to restore accurate movement paths but do not exhibit any obvious learning during passive stance. We have found, however, that a variable known to characterize the degree of stochasticity in quiet stance can also reveal subtle learning phenomena in passive stance. We extended Chow and Collins (Phys Rev E 52(1):909–912, 1995) one-dimensional pinned-polymer model (PPM) to two dimensions (2-D) and then evaluated the model's ability to make analytical predictions for 2-D quiet stance. To test the model, we tracked center of mass and centers of foot pressures, and compared and contrasted stance sway for the anterior–posterior versus medio-lateral directions before, during, and after exposure to rotation at 10 rpm. Sway of the body during rotation generated Coriolis forces that acted perpendicular to the direction of sway. We found significant adaptive changes for three characteristic features of the mean square displacement (MSD) function: the exponent of the power law defined at short time scales, the proportionality constant of the power law, and the saturation plateau value defined at longer time scales. The exponent of the power law of MSD at a short time scale lies within the bounds predicted by the 2-D PPM. The change in MSD during exposure to rotation also had a power-law exponent in the range predicted by the theoretical model. We discuss the Coriolis force paradigm for studying postural and movement control and the applicability of the PPM model in 2-D for studying postural adaptation. PMID:24477760
Statistical analysis of quiet stance sway in 2-D.
Bakshi, Avijit; DiZio, Paul; Lackner, James R
Subjects exposed to a rotating environment that perturbs their postural sway show adaptive changes in their voluntary spatially directed postural motion to restore accurate movement paths but do not exhibit any obvious learning during passive stance. We have found, however, that a variable known to characterize the degree of stochasticity in quiet stance can also reveal subtle learning phenomena in passive stance. We extended Chow and Collins (Phys Rev E 52(1):909-912, 1995) one-dimensional pinned-polymer model (PPM) to two dimensions (2-D) and then evaluated the model's ability to make analytical predictions for 2-D quiet stance. To test the model, we tracked center of mass and centers of foot pressures, and compared and contrasted stance sway for the anterior-posterior versus medio-lateral directions before, during, and after exposure to rotation at 10 rpm. Sway of the body during rotation generated Coriolis forces that acted perpendicular to the direction of sway. We found significant adaptive changes for three characteristic features of the mean square displacement (MSD) function: the exponent of the power law defined at short time scales, the proportionality constant of the power law, and the saturation plateau value defined at longer time scales. The exponent of the power law of MSD at a short time scale lies within the bounds predicted by the 2-D PPM. The change in MSD during exposure to rotation also had a power-law exponent in the range predicted by the theoretical model. We discuss the Coriolis force paradigm for studying postural and movement control and the applicability of the PPM model in 2-D for studying postural adaptation. PMID:24477760
UBE2D3 is a positive prognostic factor and is negatively correlated with hTERT expression in esophageal cancer
Human telomerase reverse transcriptase (hTERT) is a critical factor in unlimited cell proliferation and immortalization, with numerous studies demonstrating that high expression of hTERT is a poor prognostic factor in various types of cancer. Ubiquitin-conjugating enzyme E2D 3 (UBE2D3) is a member of the E2 family, and participates in the ubiquitin proteasome pathway to regulate basic cellular activities, such as cell cycle control, the DNA damage response, apoptosis, and tumorigenesis. Our previous study initially determined that downregulation of UBE2D3 expression increases hTERT expression and cell proliferation, however, the association between the expression of these two proteins and their functions in cancer tissues remains unknown. Therefore, the protein expression levels of hTERT and UBE2D3 were evaluated in 150 esophageal cancer and 30 adjacent healthy tissue samples by performing immunohistochemical analysis. Concurrently, the clinicopathological data of the enrolled patients were obtained to allow correlation analysis. It was identified that the expression of hTERT in the esophageal cancer tissues was significantly higher compared with that of the adjacent tissues (P=0.015), however, the expression of UBE2D3 was significantly lower in esophageal cancer tissues than the adjacent tissues (P=0.001). Additionally, the study demonstrated that hTERT was significantly upregulated in poorly-differentiated, advanced tumor-node-metastasis (TNM) stage cancer tissues (P<0.05 for all), however, UBE2D3 expression was downregulated in poorly-differentiated, lymph node invaded cancer tissues and recurrent cases. It was also identified that traditional factors, including tumor location, T stage, lymph node status, TNM stage, and molecular factors of hTERT and UBE2D3, were significantly associated with overall survival time (P<0.05 for all). Furthermore, UBE2D3, lymph node status and tumor location were independent prognostic factors for esophageal cancer in multivariate
Lagrangian analysis of vortex shedding behind a 2D airfoil
NASA Astrophysics Data System (ADS)
Cardwell, Blake; Mohseni, Kamran
Identifying the coherent structures and their interactions in the mixing zone is a useful means in designing future flow control strategies. To this end, a Lagrangian analysis of two-dimensional vortex shedding over an Eppler 387 airfoil is presented. Stable and unstable material manifolds in the flow are identified. Unstable manifolds such a the shear layer characterize a barrier to fluid mixing and are easily visualized using dye injection in an experiment. On the other hand, stable manifolds are more difficult to visualize in an experiment. Reattachment lines are examples of such manifolds. As such the existence of these structures in the flow, is presented and how these structures are useful in understanding vortex shedding is explored. The manifold structure is also presented in a time averaged view, allowing a comparison with the traditional separation bubble. Furthermore, lobe dynamic calculation are performed and the fluid entrainment into shedded vortices are investigated. Finally, investigation of correlation between the behavior of the material manifolds and more traditional quantities such as skin friction, flow phase portrait, and pressure is presented.
Discrimination of adulterated milk based on two-dimensional correlation spectroscopy (2D-COS) combined with kernel orthogonal projection to latent structure (K-OPLS).
Yang, Renjie; Liu, Rong; Xu, Kexin; Yang, Yanrong
A new method for discrimination analysis of adulterated milk and pure milk is proposed by combining two-dimensional correlation spectroscopy (2D-COS) with kernel orthogonal projection to latent structure (K-OPLS). Three adulteration types of milk with urea, melamine, and glucose were prepared, respectively. The synchronous 2D spectra of adulterated milk and pure milk samples were calculated. Based on the characteristics of 2D correlation spectra of adulterated milk and pure milk, a discriminant model of urea-tainted milk, melamine-tainted milk, glucose-tainted milk, and pure milk was built by K-OPLS. The classification accuracy rates of unknown samples were 85.7, 92.3, 100, and 87.5%, respectively. The results show that this method has great potential in the rapid discrimination analysis of adulterated milk and pure milk. PMID:24359648
Spatial Correlation of Rain Drop Size Distribution from Polarimetric Radar and 2D-Video Disdrometers
NASA Technical Reports Server (NTRS)
Thurai, Merhala; Bringi, Viswanathan; Gatlin, Patrick N.; Wingo, Matt; Petersen, Walter Arthur; Carey, Lawrence D.
Spatial correlations of two of the main rain drop-size distribution (DSD) parameters - namely the median-volume diameter (Do) and the normalized intercept parameter (Nw) - as well as rainfall rate (R) are determined from polarimetric radar measurements, with added information from 2D video disdrometer (2DVD) data. Two cases have been considered, (i) a widespread, long-duration rain event in Huntsville, Alabama, and (ii) an event with localized intense rain-cells within a convection line which occurred during the MC3E campaign. For the first case, data from a C-band polarimetric radar (ARMOR) were utilized, with two 2DVDs acting as ground-truth , both being located at the same site 15 km from the radar. The radar was operated in a special near-dwelling mode over the 2DVDs. In the second case, data from an S-band polarimetric radar (NPOL) data were utilized, with at least five 2DVDs located between 20 and 30 km from the radar. In both rain event cases, comparisons of Do, log10(Nw) and R were made between radar derived estimates and 2DVD-based measurements, and were found to be in good agreement, and in both cases, the radar data were subsequently used to determine the spatial correlations For the first case, the spatial decorrelation distance was found to be smallest for R (4.5 km), and largest fo Do (8.2 km). For log10(Nw) it was 7.2 km (Fig. 1). For the second case, the corresponding decorrelation distances were somewhat smaller but had a directional dependence. In Fig. 2, we show an example of Do comparisons between NPOL based estimates and 1-minute DSD based estimates from one of the five 2DVDs.
Estimating 2-D vector velocities using multidimensional spectrum analysis.
Oddershede, Niels; Løvstakken, Lasse; Torp, Hans; Jensen, Jørgen Arendt
Wilson (1991) presented an ultrasonic wideband estimator for axial blood flow velocity estimation through the use of the 2-D Fourier transform. It was shown how a single velocity component was concentrated along a line in the 2-D Fourier space, where the slope was given by the axial velocity. Later, it was shown that this approach could also be used for finding the lateral velocity component by also including a lateral sampling. A single velocity component would then be concentrated along a plane in the 3-D Fourier space, tilted according to the 2 velocity components. This paper presents 2 new velocity estimators for finding both the axial and lateral velocity components. The estimators essentially search for the plane in the 3- D Fourier space, where the integrated power spectrum is largest. The first uses the 3-D Fourier transform to find the power spectrum, while the second uses a minimum variance approach. Based on this plane, the axial and lateral velocity components are estimated. Several phantom measurements, for flow-to-depth angles of 60, 75, and 90 degrees, were performed. Multiple parallel lines were beamformed simultaneously, and 2 different receive apodization schemes were tried. The 2 estimators were then applied to the data. The axial velocity component was estimated with an average standard deviation below 2.8% of the peak velocity, while the average standard deviation of the lateral velocity estimates was between 2.0% and 16.4%. The 2 estimators were also tested on in vivo data from a transverse scan of the common carotid artery, showing the potential of the vector velocity estimation method under in vivo conditions. PMID:18986918
2D NMR Barcoding and Differential Analysis of Complex Mixtures for Chemical Identification: The Actaea Triterpenes
The interpretation of NMR spectroscopic information for structure elucidation involves decoding of complex resonance patterns that contain valuable molecular information (δ and J), which is not readily accessible otherwise. We introduce a new concept of 2D-NMR barcoding that uses clusters of fingerprint signals and their spatial relationships in the δ−δ coordinate space to facilitate the chemical identification of complex mixtures. Similar to widely used general barcoding technology, the structural information of individual compounds is encoded as a specifics pattern of their C,H correlation signals. Software-based recognition of these patterns enables the structural identification of the compounds and their discrimination in mixtures. Using the triterpenes from various Actaea (syn. Cimicifuga) species as a test case, heteronuclear multiple-bond correlation (HMBC) barcodes were generated on the basis of their structural subtypes from a statistical investigation of their δH and δC data in the literature. These reference barcodes allowed in silico identification of known triterpenes in enriched fractions obtained from an extract of A. racemosa (black cohosh). After dereplication, a differential analysis of heteronuclear single-quantum correlation (HSQC) spectra even allowed for the discovery of a new triterpene. The 2D barcoding concept has potential application in a natural product discovery project, allowing for the rapid dereplication of known compounds and as a tool in the search for structural novelty within compound classes with established barcodes. PMID:24673652
2D NMR barcoding and differential analysis of complex mixtures for chemical identification: the Actaea triterpenes.
Qiu, Feng; McAlpine, James B; Lankin, David C; Burton, Ian; Karakach, Tobias; Chen, Shao-Nong; Pauli, Guido F
The interpretation of NMR spectroscopic information for structure elucidation involves decoding of complex resonance patterns that contain valuable molecular information (δ and J), which is not readily accessible otherwise. We introduce a new concept of 2D-NMR barcoding that uses clusters of fingerprint signals and their spatial relationships in the δ-δ coordinate space to facilitate the chemical identification of complex mixtures. Similar to widely used general barcoding technology, the structural information of individual compounds is encoded as a specifics pattern of their C,H correlation signals. Software-based recognition of these patterns enables the structural identification of the compounds and their discrimination in mixtures. Using the triterpenes from various Actaea (syn. Cimicifuga) species as a test case, heteronuclear multiple-bond correlation (HMBC) barcodes were generated on the basis of their structural subtypes from a statistical investigation of their δH and δC data in the literature. These reference barcodes allowed in silico identification of known triterpenes in enriched fractions obtained from an extract of A. racemosa (black cohosh). After dereplication, a differential analysis of heteronuclear single-quantum correlation (HSQC) spectra even allowed for the discovery of a new triterpene. The 2D barcoding concept has potential application in a natural product discovery project, allowing for the rapid dereplication of known compounds and as a tool in the search for structural novelty within compound classes with established barcodes. PMID:24673652
VAM2D: Variably saturated analysis model in two dimensions
Huyakorn, P.S.; Kool, J.B.; Wu, Y.S. )
This report documents a two-dimensional finite element model, VAM2D, developed to simulate water flow and solute transport in variably saturated porous media. Both flow and transport simulation can be handled concurrently or sequentially. The formulation of the governing equations and the numerical procedures used in the code are presented. The flow equation is approximated using the Galerkin finite element method. Nonlinear soil moisture characteristics and atmospheric boundary conditions (e.g., infiltration, evaporation and seepage face), are treated using Picard and Newton-Raphson iterations. Hysteresis effects and anisotropy in the unsaturated hydraulic conductivity can be taken into account if needed. The contaminant transport simulation can account for advection, hydrodynamic dispersion, linear equilibrium sorption, and first-order degradation. Transport of a single component or a multi-component decay chain can be handled. The transport equation is approximated using an upstream weighted residual method. Several test problems are presented to verify the code and demonstrate its utility. These problems range from simple one-dimensional to complex two-dimensional and axisymmetric problems. This document has been produced as a user's manual. It contains detailed information on the code structure along with instructions for input data preparation and sample input and printed output for selected test problems. Also included are instructions for job set up and restarting procedures. 44 refs., 54 figs., 24 tabs.
Four divalent transition metal carboxyarylphosphonate compounds: Hydrothermal synthesis, structural chemistry and generalized 2D FTIR correlation spectroscopy studies
Lei Ran; Chai Xiaochuan; Mei Hongxin; Zhang Hanhui; Chen Yiping; Sun Yanqiong
Four divalent transition metal carboxyarylphosphonates, [Ni(4,4'-bipy)H{sub 2}L{sup 1}(HL{sup 1}){sub 2}(H{sub 2}O){sub 2}].2H{sub 2}O 1, [Ni{sub 2}(4,4'-bipy)(L{sup 2})(OH)(H{sub 2}O){sub 2}].3H{sub 2}O 2, Mn(phen){sub 2}(H{sub 2}L{sup 1}){sub 2}3 and Mn(phen)(HL{sup 2}) 4 (H{sub 3}L{sup 1}=p-H{sub 2}O{sub 3}PCH{sub 2}-C{sub 6}H{sub 4}-COOH, H{sub 3}L{sup 2}=m-H{sub 2}O{sub 3}PCH{sub 2}-C{sub 6}H{sub 4}-COOH, 4,4'-bipy=4,4'-bipyridine, phen=1,10-phenanthroline) were synthesized under hydrothermal conditions. 1 features 1D linear chains built from Ni(II) ions bridging 4,4'-bipy. In 2, neighboring Ni{sub 4} cluster units are connected by pairs of H{sub 3}L{sup 2} ligands to form 1D double-crankshaft chains, which are interconnected by pairs of 4,4'-bipy into 2D sheets. 3 exhibits 2D supramolecular layers via the R{sub 2}{sup 2}(8) ringed hydrogen bonding units. 4 has 1D ladderlike chains, in which the 4-membered rings are cross-linked by the organic moieties of the H{sub 3}L{sup 2} ligands. Additionally, 2D FTIR correlation analysis is applied with thermal and magnetic perturbation to clarify the structural changes of functional groups from H{sub 3}L{sup 1} and H{sub 3}L{sup 2} ligands in the compounds more efficiently. - Graphical abstract: A series of divalent transition metal carboxyarylphosphonate compounds were synthesized under hydrothermal conditions. The figure displays 2D sheet structure with large windows in compound 2.
Determination of size and sign of hetero-nuclear coupling constants from 2D 19F-13C correlation spectra
NASA Astrophysics Data System (ADS)
Ampt, Kirsten A. M.; Aspers, Ruud L. E. G.; Dvortsak, Peter; van der Werf, Ramon M.; Wijmenga, Sybren S.; Jaeger, Martin
Fluorinated organic compounds have become increasingly important within the polymer and the pharmaceutical industry as well as for clinical applications. For the structural elucidation of such compounds, NMR experiments with fluorine detection are of great value due to the favorable NMR properties of the fluorine nucleus. For the investigation of three fluorinated compounds, triple resonance 2D HSQC and HMBC experiments were adopted to fluorine detection with carbon and/or proton decoupling to yield F-C, F-C{H}, F-C{Cacq} and F-C{H,Cacq} variants. Analysis of E.COSY type cross-peak patterns in the F-C correlation spectra led, apart from the chemical shift assignments, to determination of size and signs of the JCH, JCF, and JHF coupling constants. In addition, the fully coupled F-C HMQC spectrum of steroid 1 was interpreted in terms of E.COSY type patterns. This example shows how coupling constants due to different nuclei can be determined together with their relative signs from a single spectrum. The analysis of cross-peak patterns, as presented here, not only provides relatively straightforward routes to the determination of size and sign of hetero-nuclear J-couplings in fluorinated compounds, it also provides new and easy ways for the determination of residual dipolar couplings and thus for structure elucidation. The examples and results presented in this study may contribute to a better interpretation and understanding of various F-C correlation experiments and thereby stimulate their utilization.
Structural modifications of Tilia cordata wood during heat treatment investigated by FT-IR and 2D IR correlation spectroscopy
NASA Astrophysics Data System (ADS)
Popescu, Maria-Cristina; Froidevaux, Julien; Navi, Parviz; Popescu, Carmen-Mihaela
It is known that heat treatment of wood combined with a low percent of relative humidity causes transformations in the chemical composition of it. The modifications and/or degradation of wood components occur by hydrolysis, oxidation, and decarboxylation reactions. The aim of this study was to give better insights on wood chemical modifications during wood heat treatment under low temperature at about 140 °C and 10% percentage of relative humidity, by infrared, principal component analysis and two dimensional infrared correlation spectroscopy. For this purpose, hardwood samples of lime (Tilia cordata) were investigated and analysed. The infrared spectra of treated samples were compared with the reference ones, the most important differences being observed in the "fingerprint" region. Due to the complexity of this region, which have contributions from all the wood constituents the chemical changes during hydro-thermal treatment were examined in detail using principal component analysis and 2D IR correlation spectroscopy. By hydro-thermal treatment of wood results the formation of acetic acid, which catalyse the hydrolysis reactions of hemicelluloses and amorphous cellulose. The cleavage of the β-O-4 linkages and splitting of the aliphatic methoxyl chains from the aromatic lignin ring was also observed. For the first treatment interval, a higher extent of carbohydrates degradation was observed, then an increase of the extent of the lignin degradation also took place.
Investigation on the conformations of AOT in water-in-oil microemulsions using 2D-ATR-FTIR correlation spectroscopy
NASA Astrophysics Data System (ADS)
Lai, Zuliang; Wu, Peiyi
The carbonyl groups of sodium bis(2-ethylhexyl) sulfosuccinate (AOT) in the water-in-oil (W/O) microemulsions of AOT/tetrachloromethane/water were investigated by using two-dimensional attenuated total reflection Fourier transform infrared (2D-ATR-FTIR) correlation spectroscopy under a perturbation of temperature. The results of a traditional curve fitting method were compared with the 2D correlation spectra results. The peaks at 1718 and 1736 cm -1 were assigned to different carbonyl groups in trans conformation and gauche conformation of AOT molecules, respectively. With the increase of temperature, the trans conformation increased quickly at the lower temperature below 35 °C and decreased slowly at the higher temperature. The special phenomenon owed to the composition and decomposition of the hydrogen bonding between water of the inner polar core and carbonyl groups of AOT molecules. Two new peaks at 1707 and 1747 cm -1 in the 2D correlation spectra implied the process of the transition of AOT molecule conformation and the deviation of correlation coefficients of curve fitting method. 2D-ATR-FTIR correlation spectroscopy exhibited the superiority over the traditional curve fitting method.
Application of 2D and 3D Digital Image Correlation on CO2-like altered carbonate
NASA Astrophysics Data System (ADS)
zinsmeister, Louis; Dautriat, Jérémie; Dimanov, Alexandre; Raphanel, Jean; Bornert, Michel
In order to provide mechanical constitutive laws for reservoir monitoring during CO2 long term storage, we studied the mechanical properties of Lavoux limestone before and after a homogeneous alteration following the protocol of acid treatments defined by Egermann et al, (2006). The mechanical data have been analysed at the light of systematic microstructural investigations. Firstly, the alteration impact on the evolution of flow properties related to microstructural changes was studied at successive levels of alteration by classical petrophysical measurements of porosity and permeability (including NMR, mercury porosimetry and laser diffraction) and by observations of microstructures on thin sections and by SEM. Secondly, the mechanical properties of the samples were investigated by classical (macroscopic) triaxial and uniaxial tests and are discussed in terms of the structural modifications. The macroscopic tests indicate that the alteration weakens the material, according to the observed decrease of elastic moduli and Uniaxial Compressive Strengths, from 29MPa to 19MPa after 6 cycles of acid treatments. The study is further complemented by 2D full (mechanical) field measurements, thanks to Digital Image Correlation (DIC) performed on images acquired during the uniaxial tests. This technique allows for continuous quantitative micro-mechanical monitoring in terms of deformation history and localisation processes during compression. This technique was applied on both intact and altered materials and at different scales of observation: (i) cm-sized samples were compressed in a classical load frame and optically imaged, (ii) mm-sized samples were loaded with a miniaturized compression rig implemented within a Scanning Electron Microscope. At last, 3D full field measurements were performed by 3D-DIC on mm-sized samples, which were compressed "in-situ" an X-ray microtomograph thanks to a miniaturized triaxial cell allowing for confining pressures of up to 15 MPa. At
Impact of Interface Roughness on the Metallic Transport of Strongly Correlated 2D Holes in GaAs Quantum Wells
NASA Astrophysics Data System (ADS)
Goble, Nicholas; Watson, John; Manfra, Michael; Gao, Xuan
Understanding the non-monotonic behavior in the temperature dependent resistance, R(T) , of strongly correlated two-dimensional (2D) carriers in clean semiconductors has been a central issue in the studies of 2D metallic states and metal-insulator transitions. We have studied the transport of high mobility 2D holes in 20nm wide GaAs quantum wells with varying interface roughness by changing the Al fraction x in the AlxGa1-xAs barrier. Prior to this work, no comprehensive study of the non-monotonic resistance peak against controlled barrier characteristics has been conducted. We show that the shape of the electronic contribution to R(T) is qualitatively unchanged throughout all of our measurements, regardless of the percentage of Al in the barrier. It is observed that increasing x or short range interface roughness suppresses both the strength and characteristic temperature scale of the 2D metallicity, pointing to the distinct role of short range versus long range disorder in the 2D metallic transport in this 2D hole system with interaction parameter rs ~ 20. N.G. acknowledges the US DOE GAANN fellowship (P200A090276 & P200A070434). M.J.M. is supported by the Miller Family Foundation and the US DOE, Office of Basic Energy Sciences, DMS (DE-SC0006671). X.P.A.G thanks the NSF for funding support (DMR-0906415).
Spin-spin correlation functions of spin systems coupled to 2-d quantum gravity for 0 < c < 1.
NASA Astrophysics Data System (ADS)
Ambjørn, J.; Anagnostopoulos, K. N.; Magnea, U.; Thorleifsson, G.
We perform Monte Carlo simulations of 2-d dynamically triangulated surfaces coupled to Ising and three-states Potts model matter. By measuring spin-spin correlation functions as a function of the geodesic distance we provide substantial evidence for a diverging correlation length at βc. The corresponding scaling exponents are directly related to the KPZ exponents of the matter fields as conjectured in [4].
Rapid discrimination of extracts of Chinese propolis and poplar buds by FT-IR and 2D IR correlation spectroscopy
NASA Astrophysics Data System (ADS)
Wu, Yan-Wen; Sun, Su-Qin; Zhao, Jing; Li, Yi; Zhou, Qun
The extract of Chinese propolis (ECP) has recently been adulterated with that of poplar buds (EPB), because most of ECP is derived from the poplar plant, and ECP and EPB have almost identical chemical compositions. It is very difficult to differentiate them by using the chromatographic methods such as high performance liquid chromatography (HPLC) and gas chromatography (GC). Therefore, how to effectively discriminate these two mixtures is a problem to be solved urgently. In this paper, a rapid method for discriminating ECP and EPB was established by the Fourier transform infrared (FT-IR) spectra combined with the two-dimensional infrared correlation (2D IR) analysis. Forty-three ECP and five EPB samples collected from different areas of China were analyzed by the FT-IR spectroscopy. All the ECP and EPB samples tested show similar IR spectral profiles. The significant differences between ECP and EPB appear in the region of 3000-2800 cm -1 of the spectra. Based on such differences, the two species were successfully classified with the soft independent modeling of class analogy (SIMCA) pattern recognition technique. Furthermore, these differences were well validated by a series of temperature-dependent dynamic FT-IR spectra and the corresponding 2D IR plots. The results indicate that the differences in these two natural products are caused by the amounts of long-chain alkyl compounds (including long-chain alkanes, long-chain alkyl esters and long chain alkyl alcohols) in them, rather than the flavonoid compounds, generally recognized as the bioactive substances of propolis. There are much more long-chain alkyl compounds in ECP than those in EPB, and the carbon atoms of the compounds in ECP remain in an order Z-shaped array, but those in EPB are disorder. It suggests that FT-IR and 2D IR spectroscopy can provide a valuable method for the rapid differentiation of similar natural products, ECP and EPB. The IR spectra could directly reflect the integrated chemical
Multifractal analysis of 2D gray soil images
NASA Astrophysics Data System (ADS)
González-Torres, Ivan; Losada, Juan Carlos; Heck, Richard; Tarquis, Ana M.
Soil structure, understood as the spatial arrangement of soil pores, is one of the key factors in soil modelling processes. Geometric properties of individual and interpretation of the morphological parameters of pores can be estimated from thin sections or 3D Computed Tomography images (Tarquis et al., 2003), but there is no satisfactory method to binarized these images and quantify the complexity of their spatial arrangement (Tarquis et al., 2008, Tarquis et al., 2009; Baveye et al., 2010). The objective of this work was to apply a multifractal technique, their singularities (α) and f(α) spectra, to quantify it without applying any threshold (Gónzalez-Torres, 2014). Intact soil samples were collected from four horizons of an Argisol, formed on the Tertiary Barreiras group of formations in Pernambuco state, Brazil (Itapirema Experimental Station). The natural vegetation of the region is tropical, coastal rainforest. From each horizon, showing different porosities and spatial arrangements, three adjacent samples were taken having a set of twelve samples. The intact soil samples were imaged using an EVS (now GE Medical. London, Canada) MS-8 MicroCT scanner with 45 μm pixel-1 resolution (256x256 pixels). Though some samples required paring to fit the 64 mm diameter imaging tubes, field orientation was maintained. References Baveye, P.C., M. Laba, W. Otten, L. Bouckaert, P. Dello, R.R. Goswami, D. Grinev, A. Houston, Yaoping Hu, Jianli Liu, S. Mooney, R. Pajor, S. Sleutel, A. Tarquis, Wei Wang, Qiao Wei, Mehmet Sezgin. Observer-dependent variability of the thresholding step in the quantitative analysis of soil images and X-ray microtomography data. Geoderma, 157, 51-63, 2010. González-Torres, Iván. Theory and application of multifractal analysis methods in images for the study of soil structure. Master thesis, UPM, 2014. Tarquis, A.M., R.J. Heck, J.B. Grau; J. Fabregat, M.E. Sanchez and J.M. Antón. Influence of Thresholding in Mass and Entropy Dimension of 3-D
Effect of Task-Correlated Physiological Fluctuations and Motion in 2D and 3D Echo-Planar Imaging in a Higher Cognitive Level fMRI Paradigm
Ladstein, Jarle; Evensmoen, Hallvard R.; Håberg, Asta K.; Kristoffersen, Anders; Goa, Pål E.
Purpose: To compare 2D and 3D echo-planar imaging (EPI) in a higher cognitive level fMRI paradigm. In particular, to study the link between the presence of task-correlated physiological fluctuations and motion and the fMRI contrast estimates from either 2D EPI or 3D EPI datasets, with and without adding nuisance regressors to the model. A signal model in the presence of partly task-correlated fluctuations is derived, and predictions for contrast estimates with and without nuisance regressors are made. Materials and Methods: Thirty-one healthy volunteers were scanned using 2D EPI and 3D EPI during a virtual environmental learning paradigm. In a subgroup of 7 subjects, heart rate and respiration were logged, and the correlation with the paradigm was evaluated. FMRI analysis was performed using models with and without nuisance regressors. Differences in the mean contrast estimates were investigated by analysis-of-variance using Subject, Sequence, Day, and Run as factors. The distributions of group level contrast estimates were compared. Results: Partially task-correlated fluctuations in respiration, heart rate and motion were observed. Statistically significant differences were found in the mean contrast estimates between the 2D EPI and 3D EPI when using a model without nuisance regressors. The inclusion of nuisance regressors for cardiorespiratory effects and motion reduced the difference to a statistically non-significant level. Furthermore, the contrast estimate values shifted more when including nuisance regressors for 3D EPI compared to 2D EPI. Conclusion: The results are consistent with 3D EPI having a higher sensitivity to fluctuations compared to 2D EPI. In the presence partially task-correlated physiological fluctuations or motion, proper correction is necessary to get expectation correct contrast estimates when using 3D EPI. As such task-correlated physiological fluctuations or motion is difficult to avoid in paradigms exploring higher cognitive functions, 2
Study on antibacterial alginate-stabilized copper nanoparticles by FT-IR and 2D-IR correlation spectroscopy
Díaz-Visurraga, Judith; Daza, Carla; Pozo, Claudio; Becerra, Abraham; von Plessing, Carlos; García, Apolinaria
Background The objective of this study was to clarify the intermolecular interaction between antibacterial copper nanoparticles (Cu NPs) and sodium alginate (NaAlg) by Fourier transform infrared spectroscopy (FT-IR) and to process the spectra applying two-dimensional infrared (2D-IR) correlation analysis. To our knowledge, the addition of NaAlg as a stabilizer of copper nanoparticles has not been previously reported. It is expected that the obtained results will provide valuable additional information on: (1) the influence of reducing agent ratio on the formation of copper nanoparticles in order to design functional nanomaterials with increased antibacterial activity, and (2) structural changes related to the incorporation of Cu NPs into the polymer matrix. Methods Cu NPs were prepared by microwave heating using ascorbic acid as reducing agent and NaAlg as stabilizing agent. The characterization of synthesized Cu NPs by ultraviolet visible spectroscopy, transmission electron microscopy (TEM), electron diffraction analysis, X-ray diffraction (XRD), and semiquantitative analysis of the weight percentage composition indicated that the average particle sizes of Cu NPs are about 3–10 nm, they are spherical in shape, and consist of zerovalent Cu and Cu2O. Also, crystallite size and relative particle size of stabilized Cu NPs were calculated by XRD using Scherrer's formula and FT from the X-ray diffraction data. Thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry (DSC), FT-IR, second-derivative spectra, and 2D-IR correlation analysis were applied to studying the stabilization mechanism of Cu NPs by NaAlg molecules. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of stabilized Cu NPs against five bacterial strains (Staphylococccus aureus ATCC 6538P, Escherichia coli ATCC 25922 and O157: H7, and Salmonella enterica serovar Typhimurium ATCC 13311 and 14028) were evaluated with macrodilution
Analysis of 2-d ultrasound cardiac strain imaging using joint probability density functions.
Ma, Chi; Varghese, Tomy
Ultrasound frame rates play a key role for accurate cardiac deformation tracking. Insufficient frame rates lead to an increase in signal de-correlation artifacts resulting in erroneous displacement and strain estimation. Joint probability density distributions generated from estimated axial strain and its associated signal-to-noise ratio provide a useful approach to assess the minimum frame rate requirements. Previous reports have demonstrated that bi-modal distributions in the joint probability density indicate inaccurate strain estimation over a cardiac cycle. In this study, we utilize similar analysis to evaluate a 2-D multi-level displacement tracking and strain estimation algorithm for cardiac strain imaging. The effect of different frame rates, final kernel dimensions and a comparison of radio frequency and envelope based processing are evaluated using echo signals derived from a 3-D finite element cardiac model and five healthy volunteers. Cardiac simulation model analysis demonstrates that the minimum frame rates required to obtain accurate joint probability distributions for the signal-to-noise ratio and strain, for a final kernel dimension of 1 λ by 3 A-lines, was around 42 Hz for radio frequency signals. On the other hand, even a frame rate of 250 Hz with envelope signals did not replicate the ideal joint probability distribution. For the volunteer study, clinical data was acquired only at a 34 Hz frame rate, which appears to be sufficient for radio frequency analysis. We also show that an increase in the final kernel dimensions significantly affect the strain probability distribution and joint probability density function generated, with a smaller effect on the variation in the accumulated mean strain estimated over a cardiac cycle. Our results demonstrate that radio frequency frame rates currently achievable on clinical cardiac ultrasound systems are sufficient for accurate analysis of the strain probability distribution, when a multi-level 2-D
A study on correlation between 2D and 3D gamma evaluation metrics in patient-specific quality assurance for VMAT.
Rajasekaran, Dhanabalan; Jeevanandam, Prakash; Sukumar, Prabakar; Ranganathan, Arulpandiyan; Johnjothi, Samdevakumar; Nagarajan, Vivekanandan
In this study, we investigated the correlation between 2-dimensional (2D) and 3D gamma analysis using the new PTW OCTAVIUS 4D system for various parameters. For this study, we selected 150 clinically approved volumetric-modulated arc therapy (VMAT) plans of head and neck (50), thoracic (esophagus) (50), and pelvic (cervix) (50) sites. Individual verification plans were created and delivered to the OCTAVIUS 4D phantom. Measured and calculated dose distributions were compared using the 2D and 3D gamma analysis by global (maximum), local and selected (isocenter) dose methods. The average gamma passing rate for 2D global gamma analysis in coronal and sagittal plane was 94.81% ± 2.12% and 95.19% ± 1.76%, respectively, for commonly used 3-mm/3% criteria with 10% low-dose threshold. Correspondingly, for the same criteria, the average gamma passing rate for 3D planar global gamma analysis was 95.90% ± 1.57% and 95.61% ± 1.65%. The volumetric 3D gamma passing rate for 3-mm/3% (10% low-dose threshold) global gamma was 96.49% ± 1.49%. Applying stringent gamma criteria resulted in higher differences between 2D planar and 3D planar gamma analysis across all the global, local, and selected dose gamma evaluation methods. The average gamma passing rate for volumetric 3D gamma analysis was 1.49%, 1.36%, and 2.16% higher when compared with 2D planar analyses (coronal and sagittal combined average) for 3mm/3% global, local, and selected dose gamma analysis, respectively. On the basis of the wide range of analysis and correlation study, we conclude that there is no assured correlation or notable pattern that could provide relation between planar 2D and volumetric 3D gamma analysis. Owing to higher passing rates, higher action limits can be set while performing 3D quality assurance. Site-wise action limits may be considered for patient-specific QA in VMAT. PMID:24910246
Correlation between gamma index passing rate and clinical dosimetric difference for pre-treatment 2D and 3D volumetric modulated arc therapy dosimetric verification
Jin, X; Yan, H; Han, C; Zhou, Y; Yi, J
Objective: To investigate comparatively the percentage gamma passing rate (%GP) of two-dimensional (2D) and three-dimensional (3D) pre-treatment volumetric modulated arc therapy (VMAT) dosimetric verification and their correlation and sensitivity with percentage dosimetric errors (%DE). Methods: %GP of 2D and 3D pre-treatment VMAT quality assurance (QA) with different acceptance criteria was obtained by ArcCHECK® (Sun Nuclear Corporation, Melbourne, FL) for 20 patients with nasopharyngeal cancer (NPC) and 20 patients with oesophageal cancer. %DE were calculated from planned dose–volume histogram (DVH) and patients' predicted DVH calculated by 3DVH® software (Sun Nuclear Corporation). Correlation and sensitivity between %GP and %DE were investigated using Pearson's correlation coefficient (r) and receiver operating characteristics (ROCs). Results: Relatively higher %DE on some DVH-based metrics were observed for both patients with NPC and oesophageal cancer. Except for 2%/2 mm criterion, the average %GPs for all patients undergoing VMAT were acceptable with average rates of 97.11% ± 1.54% and 97.39% ± 1.37% for 2D and 3D 3%/3 mm criteria, respectively. The number of correlations for 3D was higher than that for 2D (21 vs 8). However, the general correlation was still poor for all the analysed metrics (9 out of 26 for 3D 3%/3 mm criterion). The average area under the curve (AUC) of ROCs was 0.66 ± 0.12 and 0.71 ± 0.21 for 2D and 3D evaluations, respectively. Conclusions: There is a lack of correlation between %GP and %DE for both 2D and 3D pre-treatment VMAT dosimetric evaluation. DVH-based dose metrics evaluation obtained from 3DVH will provide more useful analysis. Advances in knowledge: Correlation and sensitivity of %GP with %DE for VMAT QA were studied for the first time. PMID:25494412
Study on molecular structure and hydration mechanism of Domyoji-ko starch by IR and NIR hetero 2D analysis
NASA Astrophysics Data System (ADS)
Katayama, Norihisa; Kondo, Miyuki; Miyazawa, Mitsuhiro
The hydration structure of starch molecule in Domyoji-ko, which is made from gluey rice, was investigated by hetero 2D correlation analysis of IR and NIR spectroscopy. The feature near 1020 cm -1 in the IR spectra of Domyoji-ko is changed by rehydration process, indicating that the molecular structure of amylopectin in the starch has been varied by the hydration without heating. The intensity of a band at 4770 cm -1 in NIR spectra is decreasing with the increasing of either the heating time with water or rehydration time without heating. These results suggest that the hydration of Domyoji-ko has proceeded in similar mechanisms on these processes. The generalized hetero 2D IR-NIR correlation analysis for rehydration of Domyoji-ko has supported the assignments for NIR bands concerning the gelatinization of starch.
In vivo 1D and 2D correlation MR spectroscopy of the soleus muscle at 7T
NASA Astrophysics Data System (ADS)
Ramadan, Saadallah; Ratai, Eva-Maria; Wald, Lawrence L.; Mountford, Carolyn E.
AimThis study aims to (1) undertake and analyse 1D and 2D MR correlation spectroscopy from human soleus muscle in vivo at 7T, and (2) determine T1 and T2 relaxation time constants at 7T field strength due to their importance in sequence design and spectral quantitation. MethodSix healthy, male volunteers were consented and scanned on a 7T whole-body scanner (Siemens AG, Erlangen, Germany). Experiments were undertaken using a 28 cm diameter detunable birdcage coil for signal excitation and an 8.5 cm diameter surface coil for signal reception. The relaxation time constants, T1 and T2 were recorded using a STEAM sequence, using the 'progressive saturation' method for the T1 and multiple echo times for T2. The 2D L-Correlated SpectroscopY (L-COSY) method was employed with 64 increments (0.4 ms increment size) and eight averages per scan, with a total time of 17 min. ResultsT1 and T2 values for the metabolites of interest were determined. The L-COSY spectra obtained from the soleus muscle provided information on lipid content and chemical structure not available, in vivo, at lower field strengths. All molecular fragments within multiple lipid compartments were chemically shifted by 0.20-0.26 ppm at this field strength. 1D and 2D L-COSY spectra were assigned and proton connectivities were confirmed with the 2D method. ConclusionIn vivo 1D and 2D spectroscopic examination of muscle can be successfully recorded at 7T and is now available to assess lipid alterations as well as other metabolites present with disease. T1 and T2 values were also determined in soleus muscle of male healthy volunteers.
HyperSPASM NMR: A new approach to single-shot 2D correlations on DNP-enhanced samples
NASA Astrophysics Data System (ADS)
Donovan, Kevin J.; Frydman, Lucio
Dissolution DNP experiments are limited to a single or at most a few scans, before the non-Boltzmann magnetization has been consumed. This makes it impractical to record 2D NMR data by conventional, t1-incremented schemes. Here a new approach termed HyperSPASM to establish 2D heteronuclear correlations in a single scan is reported, aimed at dealing with this kind of challenge. The HyperSPASM experiment relies on imposing an amplitude-modulation of the data by a single Δt1 indirect-domain evolution time, and subsequently monitoring the imparted encoding on separate echo and anti-echo pathway signals within a single continuous acquisition. This is implemented via the use of alternating, switching, coherence selection gradients. As a result of these manipulations the phase imparted by a heteronucleus over its indirect domain evolution can be accurately extracted, and 2D data unambiguously reconstructed with a single-shot excitation. The nature of this sequence makes the resulting experiment particularly well suited for collecting indirectly-detected HSQC data on hyperpolarized samples. The potential of the ensuing HyperSPASM method is exemplified with natural-abundance hyperpolarized correlations on model systems.
Analysis of activity space by fragment fingerprints, 2D descriptors, and multitarget dependent transformation of 2D descriptors.
Givehchi, Alireza; Bender, Andreas; Glen, Robert C
The effect of multitarget dependent descriptor transformation on classification performance is explored in this work. To this end decision trees as well as neural net QSAR in combination with PLS were applied to predict the activity class of 5HT3 ligands, angiotensin converting enzyme inhibitors, 3-hydroxyl-3-methyl glutaryl coenzyme A reductase inhibitors, platelet activating factor antagonists, and thromboxane A2 antagonists. Physicochemical descriptors calculated by MOE and fragment-based descriptors (MOLPRINT 2D) were employed to generate descriptor vectors. In a subsequent step the physicochemical descriptor vectors were transformed to a lower dimensional space using multitarget dependent descriptor transformation. Cross-validation of the original physicochemical descriptors in combination with decision trees and neural net QSAR as well as cross-validation of PLS multitarget transformed descriptors with neural net QSAR were performed. For comparison this was repeated using fragment-based descriptors in combination with decision trees. PMID:16711727
Two-dimensional correlation spectroscopy (2D-COS) variable selection for near-infrared microscopy discrimination of meat and bone meal in compound feed.
Lü, Chengxu; Chen, Longjian; Yang, Zengling; Liu, Xian; Han, Lujia
This article presents a novel method for combining auto-peak and cross-peak information for sensitive variable selection in synchronous two-dimensional correlation spectroscopy (2D-COS). This variable selection method is then applied to the case of near-infrared (NIR) microscopy discrimination of meat and bone meal (MBM). This is of important practical value because MBM is currently banned in ruminate animal compound feed. For the 2D-COS analysis, a set of NIR spectroscopy data of compound feed samples (adulterated with varying concentrations of MBM) was pretreated using standard normal variate and detrending (SNVD) and then mapped to the 2D-COS synchronous matrix. For the auto-peak analysis, 12 main sensitive variables were identified at 6852, 6388, 6320, 5788, 5600, 5244, 4900, 4768, 4572, 4336, 4256, and 4192 cm(-1). All these variables were assigned their specific spectral structure and chemical component. For the cross-peak analysis, these variables were divided into two groups, each group containing the six sensitive variables. This grouping resulted in a correlation between the spectral variables that was in accordance with the chemical-component content of the MBM and compound feed. These sensitive variables were then used to build a NIR microscopy discrimination model, which yielded a 97% correct classification. Moreover, this method detected the presence of MBM when its concentration was less than 1% in an adulterated compound feed sample. The concentration-dependent 2D-COS-based variable selection method developed in this study has the unique advantages of (1) introducing an interpretive aspect into variable selection, (2) substantially reducing the complexity of the computations, (3) enabling the transferability of the results to discriminant analysis, and (4) enabling the efficient compression of spectral data. PMID:25061786
CYP2D6 genotype and adjuvant tamoxifen: meta-analysis of heterogeneous study populations.
Province, M A; Goetz, M P; Brauch, H; Flockhart, D A; Hebert, J M; Whaley, R; Suman, V J; Schroth, W; Winter, S; Zembutsu, H; Mushiroda, T; Newman, W G; Lee, M-T M; Ambrosone, C B; Beckmann, M W; Choi, J-Y; Dieudonné, A-S; Fasching, P A; Ferraldeschi, R; Gong, L; Haschke-Becher, E; Howell, A; Jordan, L B; Hamann, U; Kiyotani, K; Krippl, P; Lambrechts, D; Latif, A; Langsenlehner, U; Lorizio, W; Neven, P; Nguyen, A T; Park, B-W; Purdie, C A; Quinlan, P; Renner, W; Schmidt, M; Schwab, M; Shin, J-G; Stingl, J C; Wegman, P; Wingren, S; Wu, A H B; Ziv, E; Zirpoli, G; Thompson, A M; Jordan, V C; Nakamura, Y; Altman, R B; Ames, M M; Weinshilboum, R M; Eichelbaum, M; Ingle, J N; Klein, T E
The International Tamoxifen Pharmacogenomics Consortium was established to address the controversy regarding cytochrome P450 2D6 (CYP2D6) status and clinical outcomes in tamoxifen therapy. We performed a meta-analysis on data from 4,973 tamoxifen-treated patients (12 globally distributed sites). Using strict eligibility requirements (postmenopausal women with estrogen receptor-positive breast cancer, receiving 20 mg/day tamoxifen for 5 years, criterion 1); CYP2D6 poor metabolizer status was associated with poorer invasive disease-free survival (IDFS: hazard ratio = 1.25; 95% confidence interval = 1.06, 1.47; P = 0.009). However, CYP2D6 status was not statistically significant when tamoxifen duration, menopausal status, and annual follow-up were not specified (criterion 2, n = 2,443; P = 0.25) or when no exclusions were applied (criterion 3, n = 4,935; P = 0.38). Although CYP2D6 is a strong predictor of IDFS using strict inclusion criteria, because the results are not robust to inclusion criteria (these were not defined a priori), prospective studies are necessary to fully establish the value of CYP2D6 genotyping in tamoxifen therapy. PMID:24060820
NASA Technical Reports Server (NTRS)
Lawrence, C.
PLAN2D is a FORTRAN computer program for the plastic analysis of planar rigid frame structures. Given a structure and loading pattern as input, PLAN2D calculates the ultimate load that the structure can sustain before collapse. Element moments and plastic hinge rotations are calculated for the ultimate load. The location of hinges required for a collapse mechanism to form are also determined. The program proceeds in an iterative series of linear elastic analyses. After each iteration the resulting elastic moments in each member are compared to the reserve plastic moment capacity of that member. The member or members that have moments closest to their reserve capacity will determine the minimum load factor and the site where the next hinge is to be inserted. Next, hinges are inserted and the structural stiffness matrix is reformulated. This cycle is repeated until the structure becomes unstable. At this point the ultimate collapse load is calculated by accumulating the minimum load factor from each previous iteration and multiplying them by the original input loads. PLAN2D is based on the program STAN, originally written by Dr. E.L. Wilson at U.C. Berkeley. PLAN2D has several limitations: 1) Although PLAN2D will detect unloading of hinges it does not contain the capability to remove hinges; 2) PLAN2D does not allow the user to input different positive and negative moment capacities and 3) PLAN2D does not consider the interaction between axial and plastic moment capacity. Axial yielding and buckling is ignored as is the reduction in moment capacity due to axial load. PLAN2D is written in FORTRAN and is machine independent. It has been tested on an IBM PC and a DEC MicroVAX. The program was developed in 1988.
Application of quantitative artificial neural network analysis to 2D NMR spectra of hydrocarbon mixtures.
Väänänen, Taito; Koskela, Harri; Hiltunen, Yrjö; Ala-Korpela, Mika
Understanding relationships between the structure and composition of molecular mixtures and their chemical properties is a main industrial aim. One central field of research is oil chemistry where the key question is how the molecular characteristics of composite hydrocarbon mixtures can be associated with the macroscopic properties of the oil products. Apparently these relationships are complex and often nonlinear and therefore call for advanced spectroscopic techniques. An informative and an increasingly used approach is two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy. In the case of composite hydrocarbons the application of 2D NMR methodologies in a quantitative manner pose many technical difficulties, and, in any case, the resulting spectra contain many overlapping resonances that challenge the analytical work. Here, we present a general methodology, based on quantitative artificial neural network (ANN) analysis, to resolve overlapping information in 2D NMR spectra and to simultaneously assess the relative importance of multiple spectral variables on the sample properties. The results in a set of 2D NMR spectra of oil samples illustrate, first, that use of ANN analysis for quantitative purposes is feasible also in 2D and, second, that this methodology offers an intrinsic opportunity to assess the complex and nonlinear relationships between the molecular composition and sample properties. The presented ANN methodology is not limited to the analysis of NMR spectra but can also be applied in a manner similar to other (multidimensional) spectroscopic data. PMID:12444730
Dynamic Analysis of 2D Electromagnetic Resonant Optical Scanner Using 3D Finite Element Method
NASA Astrophysics Data System (ADS)
Hirata, Katsuhiro; Hong, Sara; Maeda, Kengo
The optical scanner is a scanning device in which a laser beam is reflected by a mirror that can be rotated or oscillated. In this paper, we propose a new 2D electromagnetic resonant optical scanner that employs electromagnets and leaf springs. Torque characteristics and resonance characteristics of the scanner are analyzed using the 3D finite element method. The validity of the analysis is shown by comparing the characteristics inferred from the analysis with the characteristics of the prototype. Further, 2D resonance is investigated by introducing a superimposed-frequency current in a single coil.
An F2D analysis of the Flow Instability Test (FIT) experiment
Suo-Anttila, A.
The F2D code was used to analyze the Flow-Instability-Test (FIT) experiments at Brookhaven National Laboratories. A one-dimensional analysis of the experiment indicated that at the higher temperature levels the element should be unstable. The experimental data corroborated this theory. The two-dimensional simulation behaved in a manner that was very similar to the experimentally measured behavior. In conclusion, the FIT experimental analysis yields partial code validation of F2D, and it also validates the methodology that is used in analyzing thermal flow stability.
Study of the equilibrium vacancy ensemble in aluminum using 1D- and 2D-angular correlation of annihilation radiation
Fluss, M.J.; Berko, S.; Chakraborty, B.; Hoffmann, K.R.; Lippel, P.; Siegel, R.W.
One- and two-dimensional angular correlation of positron-electron annihilation radiation (1D and 2D-ACAR) data have been obtained between 293 and 903 K for single crystals of aluminum. The peak counting rates vs temperature, which were measured using the 1D-ACAR technique, provide a model independent value for the temperature dependence of the positron trapping probability. Using these results it is possible to strip out the Bloch state contribution from the observed 2D-ACAR surfaces and then compare the resulting defect ACAR surfaces to calculated 2D-ACAR surfaces for positrons annihilating from the Bloch, monovacancy, and divacancy-trapped states. The result of this comparison is that the presence of an increasing equilibrium divacancy population is consistent with the observed temperature dependence of ACAR data at high temperature in Al and that the present results when compared to earlier studies on Al indicate that the ratio of the trapping rates at divacancies and monovacancies is of order two.
The performance of 2D array detectors for light sheet based fluorescence correlation spectroscopy.
Singh, Anand Pratap; Krieger, Jan Wolfgang; Buchholz, Jan; Charbon, Edoardo; Langowski, Jörg; Wohland, Thorsten
Single plane illumination microscopy based fluorescence correlation spectroscopy (SPIM-FCS) is a new method for imaging FCS in 3D samples, providing diffusion coefficients, transport, flow velocities and concentrations in an imaging mode. SPIM-FCS records correlation functions over a whole plane in a sample, which requires array detectors for recording the fluorescence signal. Several types of image sensors are suitable for FCS. They differ in properties such as effective area per pixel, quantum efficiency, noise level and read-out speed. Here we compare the performance of several low light array detectors based on three different technologies: (1) Single-photon avalanche diode (SPAD) arrays, (2) passive-pixel electron multiplying charge coupled device (EMCCD) and (3) active-pixel scientific-grade complementary metal oxide semiconductor cameras (sCMOS). We discuss the influence of the detector characteristics on the effective FCS observation volume, and demonstrate that light sheet based SPIM-FCS provides absolute diffusion coefficients. This is verified by parallel measurements with confocal FCS, single particle tracking (SPT), and the determination of concentration gradients in space and time. While EMCCD cameras have a temporal resolution in the millisecond range, sCMOS cameras and SPAD arrays can extend the time resolution of SPIM-FCS down to 10 μs or lower. PMID:23571955
Ultrasonic tissue characterization via 2-D spectrum analysis: theory and in vitro measurements
Liu, Tian; Lizzi, Frederic L.; Ketterling, Jeffrey A.; Silverman, Ronald H.; Kutcher, Gerald J.
A theoretical model is described for application in ultrasonic tissue characterization using a calibrated 2-D spectrum analysis method. This model relates 2-D spectra computed from ultrasonic backscatter signals to intrinsic physical properties of tissue microstructures, e.g., size, shape, and acoustic impedance. The model is applicable to most clinical diagnostic ultrasound systems. Two experiments employing two types of tissue architectures, spherical and cylindrical scatterers, are conducted using ultrasound with center frequencies of 10 and 40 MHz, respectively. Measurements of a tissue-mimicking phantom with an internal suspension of microscopic glass beads are used to validate the theoretical model. Results from in vitro muscle fibers are presented to further elucidate the utility of 2-D spectrum analysis in ultrasonic tissue characterization. PMID:17441250
Experimental validation of 2D uncertainty quantification for digital image correlation.
Reu, Phillip L.
Because digital image correlation (DIC) has become such an important and standard tool in the toolbox of experimental mechanicists, a complete uncertainty quantification of the method is needed. It should be remembered that each DIC setup and series of images will have a unique uncertainty based on the calibration quality and the image and speckle quality of the analyzed images. Any pretest work done with a calibrated DIC stereo-rig to quantify the errors using known shapes and translations, while useful, do not necessarily reveal the uncertainty of a later test. This is particularly true with high-speed applications where actual test images are often less than ideal. Work has previously been completed on the mathematical underpinnings of DIC uncertainty quantification and is already published, this paper will present corresponding experimental work used to check the validity of the uncertainty equations.
Impact of lens distortions on strain measurements obtained with 2D digital image correlation
NASA Astrophysics Data System (ADS)
Lava, P.; Van Paepegem, W.; Coppieters, S.; De Baere, I.; Wang, Y.; Debruyne, D.
The determination of strain fields based on displacements obtained via digital image correlation (DIC) at the micro-strain level (≤1000 μm/m) is still a cumbersome task. In particular when high-strain gradients are involved, e.g. in composite materials with multidirectional fibre reinforcement, uncertainties in the experimental setup and errors in the derivation of the displacement fields can substantially hamper the strain identification process. In this contribution, the aim is to investigate the impact of lens distortions on strain measurements. To this purpose, we first perform pure rigid body motion experiments, revealing the importance of precise correction of lens distortions. Next, a uni-axial tensile test on a textile composite with spatially varying high strain gradients is performed, resulting in very accurately determined strains along the fibers of the material.
Interactions in two-component liposomes studied by 2D correlation spectroscopy
NASA Astrophysics Data System (ADS)
Murawska, Agnieszka; Cieślik-Boczula, Katarzyna; Czarnik-Matusewicz, Bogusława
The effect of dipping amphiphilic ICPANs (1-Alkylaminium, N-[2-[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]ethyl]-N,N-dimethyl-, bromide) homologues, characterized by varying alkyl chain length ( n = 8, 10, 12, and 16), into large multilamellar vesicles (MLVs) of dipalmitoylphosphatidylcholine (DPPC) was studied. Attenuated total reflectance infrared (ATR-IR) spectroscopy combined with 31P-NMR enabled observing a cut-off effect for the longest homologue. By employing two-dimensional correlation spectroscopy (2DCOS) for monitoring spectral changes induced by the heating process, detailed information about structural changes was obtained. They confirmed the substantial reorganization in the structure of the interfacial region in the ICPAN-C16/DPPC vesicles compared with the shorter homologues, where mainly the alkyl chains experience significant trans-to-gauche reorganization. Absorbance changes around 1400 cm -1 assigned to the symmetric deformation mode δsym ( +N(CH 3) 3) are a good marker of changes in vesicle shape and are sensitive to the percentage of DPPC molecules directly interacting with the surface of the ATR crystal. This study clearly demonstrates the potential of 2DCOS in investigating interactions in two-component liposomes.
An automated calibration system that combines fringe projection and 2D digital image correlation
NASA Astrophysics Data System (ADS)
Siegmann, Philip; Felipe-Sesé, Luis A.; Díaz Garrido, Francisco; Piñeiro-Ave, José
An optical non-contact and full-field system that allows large displacement measurements in x-, y- and z-direction is presented. The system combines 2-dimentional digital image correlation (for in-plane measurements) and fringe projection (for out-of-plane displacements) and uses only one camera. The in- and out-of-plane displacements are obtained at the same instant allowing real-time measurements thanks to a color encoding filtering procedure. The out-of-plane measurement allows the correction of the in-plane measurements and the system has to be precisely aligned by following an established alignment procedure. Furthermore, a calibration has to be done to obtain a fringe parameter k for each pixel of the specimen surface image necessary to relate the shifted phase with the out-of-plane displacements. The presented system obtains different values of k for each pixel because of the divergent and non-normal incidence of the fringe beam onto the sample surface (non zero incidence angle). The calibration is performed automatically and only has to be done once for each configuration of the system. The system is portable and can be easily adapted to measure large displacements and wide areas (using small incidence angle) or smaller distances but with higher resolutions (when increasing the incidence angle).
Rapid identification of Pterocarpus santalinus and Dalbergia louvelii by FTIR and 2D correlation IR spectroscopy
NASA Astrophysics Data System (ADS)
Zhang, Fang-Da; Xu, Chang-Hua; Li, Ming-Yu; Huang, An-Min; Sun, Su-Qin
Since Pterocarpus santalinus and Dalbergia louvelii, which are of precious Rosewood, are very similar in their appearance and anatomy characteristics, cheaper Hongmu D. louvelii is often illegally used to impersonate valuable P. santalinus, especially in Chinese furniture manufacture. In order to develop a rapid and effective method for easy confused wood furniture differentiation, we applied tri-step identification method, i.e., conventional infrared spectroscopy (FT-IR), second derivative infrared (SD-IR) spectroscopy and two-dimensional correlation infrared (2DCOS-IR) spectroscopy to investigate P. santalinus and D. louvelii furniture. According to FT-IR and SD-IR spectra, it has been found two unconditional stable difference at 848 cm-1 and 700 cm-1 and relative stable differences at 1735 cm-1, 1623 cm-1, 1614 cm-1, 1602 cm-1, 1509 cm-1, 1456 cm-1, 1200 cm-1, 1158 cm-1, 1055 cm-1, 1034 cm-1 and 895 cm-1 between D. louvelii and P. santalinus IR spectra. The stable discrepancy indicates that the category of extractives is different between the two species. Besides, the relative stable differences imply that the content of holocellulose in P. santalinus is more than that of D. louvelii, whereas the quantity of extractives in D. louvelii is higher. Furthermore, evident differences have been observed in their 2DCOS-IR spectra of 1550-1415 cm-1 and 1325-1030 cm-1. P. santalinus has two strong auto-peaks at 1459 cm-1 and 1467 cm-1, three mid-strong auto-peaks at 1518 cm-1, 1089 cm-1 and 1100 cm-1 and five weak auto-peaks at 1432 cm-1, 1437 cm-1, 1046 cm-1, 1056 cm-1 and 1307 cm-1 while D. louvelii has four strong auto-peaks at 1465 cm-1, 1523 cm-1, 1084 cm-1 and 1100 cm-1, four mid-strong auto-peaks at 1430 cm-1, 1499 cm-1, 1505 cm-1 and 1056 cm-1 and two auto-peaks at 1540 cm-1 and 1284 cm-1. This study has proved that FT-IR integrated with 2DCOS-IR could be applicable for precious wood furniture authentication in a direct, rapid and holistic manner.
NASA Technical Reports Server (NTRS)
Dulikravich, D. S.
An exact, full-potential-equation model for the steady, irrotational, homoentropic, and homoenergetic flow of a compressible, inviscid fluid through a two-dimensional planar cascade together with its appropriate boundary conditions has been derived. The CAS2D computer program numerically solves an artificially time-dependent form of the actual full-potential-equation, providing a nonrotating blade-to-blade, steady, potential transonic cascade flow analysis code. Comparisons of results with test data and theoretical solutions indicate very good agreement. In CAS2D, the governing equation is discretized by using type-dependent, rotated finite differencing and the finite area technique. The flow field is discretized by providing a boundary-fitted, nonuniform computational mesh. This mesh is generated by using a sequence of conformal mapping, nonorthogonal coordinate stretching, and local, isoparametric, bilinear mapping functions. The discretized form of the full-potential equation is solved iteratively by using successive line over relaxation. Possible isentropic shocks are captured by the explicit addition of an artificial viscosity in a conservative form. In addition, a four-level, consecutive, mesh refinement feature makes CAS2D a reliable and fast algorithm for the analysis of transonic, two-dimensional cascade flows. The results from CAS2D are not directly applicable to three-dimensional, potential, rotating flows through a cascade of blades because CAS2D does not consider the effects of the Coriolis force that would be present in the three-dimensional case. This program is written in FORTRAN IV for batch execution and has been implemented on an IBM 370 series computer with a central memory requirement of approximately 200K of 8 bit bytes. The CAS2D program was developed in 1980.
Blake, CM; Kharasch, ED; Schwab, M; Nagele, P
Metoprolol, a commonly prescribed beta-blocker, is primarily metabolized by cytochrome P450 2D6 (CYP2D6), an enzyme with substantial genetic heterogeneity. Several smaller studies have shown that metoprolol pharmacokinetics is influenced by CYP2D6 genotype and metabolizer phenotype. To increase robustness of metoprolol pharmacokinetic estimates, a systematic review and meta-analysis of pharmacokinetic studies that administered a single oral dose of immediate release metoprolol was performed. Pooled analysis (n= 264) demonstrated differences in peak plasma metoprolol concentration, area under the concentration-time curve, elimination half-life, and apparent oral clearance that were 2.3-, 4.9-, 2.3-, and 5.9-fold between extensive and poor metabolizers, respectively, and 5.3-, 13-, 2.6-, and 15-fold between ultra-rapid and poor metabolizers (all p<0.001). Enantiomer-specific analysis revealed genotype-dependent enantio-selective metabolism, with nearly 40% greater R- vs S-metoprolol metabolism in ultra-rapid and extensive metabolizers. This study demonstrates a marked effect of CYP2D6 metabolizer phenotype on metoprolol pharmacokinetics and confirms enantiomer specific metabolism of metoprolol. PMID:23665868
Two Keggin-type heteropolytungstates with transition metal as a central atom: Crystal structure and magnetic study with 2D-IR correlation spectroscopy
Chai, Feng; Chen, YiPing; You, ZhuChai; Xia, ZeMin; Ge, SuZhi; Sun, YanQiong; Huang, BiHua
Two Keggin-type heteropolytungstates, [Co(phen)₃]₃[CoW₁₂O₄₀]·9H₂O 1 (phen=1,10-phenanthroline) and [Fe(phen)₃]₂[FeW₁₂O₄₀]·H₃O·H₂O 2, have been synthesized via the hydrothermal technique and characterized by single crystal X-ray diffraction analyses, IR, XPS, TG analysis, UV–DRS, XRD, thermal-dependent and magnetic-dependent 2D-COS IR (two-dimensional infrared correlation spectroscopy). Crystal structure analysis reveals that the polyanions in compound 1 are linked into 3D supramolecule through hydrogen bonding interactions between lattice water molecules and terminal oxygen atoms of polyanion units, and [Co(phen)₃]²⁺ cations distributed in the polyanion framework with many hydrogen bonding interactions. The XPS spectra indicate that all the Co atoms in 1 are +2 oxidation state, the Fe atoms in 2 existing with +2 and +3 mixed oxidation states. - Graphical abstract: The magnetic-dependent synchronous 2D correlation IR spectra of 1 (a), 2 (b) over 0–50 mT in the range of 600–1000 cm⁻¹, the obvious response indicate two Keggin polyanions skeleton susceptible to applied magnetic field. Highlights: • Two Keggin-type heteropolytungstates with transition metal as a central atom has been obtained. • Compound 1 forms into 3D supramolecular architecture through hydrogen bonding between water molecules and polyanions. • Magnetic-dependent 2D-IR correlation spectroscopy was introduced to discuss the magnetism of polyoxometalate.
Fracture mode analysis and related surface deformation during dyke intrusion: Results from 2D experimental modelling
NASA Astrophysics Data System (ADS)
Abdelmalak, M.; Mourgues, R.; Bureau, D.
The analysis of surface deformation in response to approaching intrusion is important for assessing volcanic hazards. In this paper, we present results from 2D scaled models of magma intrusion, in which we discuss the propagation mode and related surface deformation during dyke growth. Our experiments consist in the injection of analogue magma (Golden syrup) into cohesive fine-grained silica powder, simulating the brittle upper crust. Using an optical image correlation technique (Particle Imaging Velocimetry), we were able to follow the surface deformation, the displacements within the country rock and to calculate strains induced by the magma emplacement. We identified two kinds of intrusion morphologies resulting from different interactions between the dyke and plastic deformations occurring in the country rock near the surface. In both morphologies, the dyke is vertical at depth. Our analysis demonstrates that both hydraulic tensile opening and shear-related propagation operate during this first stage of vertical growth. At the same time, the surface lifted up and formed a smooth symmetrical dome. Both types of morphologies differ in the upper part. During a second stage of evolution, the first type of intrusion inclined at a dip between 45 to 65°. This inclination is not caused by shear deformations and is attributed to stress rotation near the tip. Closer to the surface, the growth of the inclined sheet creates shear bands which conduct the fluid toward the surface. The surface uplift becomes asymmetric. The second type of intrusion does not rotate at depth and continues its vertical propagation by catching vertical tensile cracks. The intrusion of magma in these cracks creates horizontal stresses which are responsible for the closure of fractures and the formation of reverse faults. At the surface the dome remains symmetrical. For both intrusions, the surface uplift accelerates during the second stage and it is strongly influenced by the presence or the
SU-E-T-422: Correlation Between 2D Passing Rates and 3D Dose Differences for Pretreatment VMAT QA
Jin, X; Xie, C
Purpose: Volumetric modulated arc therapy (VMAT) quality assurance (QA) is typically using QA methods and action levels taken from fixedbeam intensity-modulated radiotherapy (IMRT) QA methods. However, recent studies demonstrated that there is no correlation between the percent gamma passing rate (%GP) and the magnitude of dose discrepancy between the planned dose and the actual delivered dose for IMRT. The purpose of this study is to investigate whether %GP is correlated with clinical dosimetric difference for VMAT. Methods: Twenty nasopharyngeal cancer (NPC) patients treated with dual-arc simultaneous integrated boost VMAT and 20 esophageal cancer patients treated with one-arc VMAT were enrolled in this study. Pretreatment VMAT QA was performed by a 3D diode array ArcCheck. Acceptance criteria of 2%/2mm, 3%/3mm, and 4%/4mm were applied for 2D %GP. Dose values below 10% of the per-measured normalization maximum dose were ignored.Mean DVH values obtained from 3DVH software and TPS were calculated and percentage dose differences were calculated. Statistical correlation between %GP and percent dose difference was studied by using Pearson correlation. Results: The %GP for criteria 2%/2mm, 3%/3mm, and 4%/4mm were 82.33±4.45, 93.47±2.31, 97.13±2.41, respectively. Dose differences calculated from 3DVH and TPS for beam isocenter, mean dose of PTV, maximum dose of PTV, D2 of PTV and D98 of PTV were -1.04±3.24, -0.74±1.71, 2.92±3.62, 0.89±3.29, -1.46±1.97, respectively. No correction were found between %GP and dose differences. Conclusion: There are weak correlations between the 2D %GP and dose differences calculated from 3DVH. The %GP acceptance criteria of 3%/3mm usually applied for pretreatment QA of IMRT and VMAT is not indicating strong clinical correlation with 3D dose difference. 3D dose reconstructions on patient anatomy may be necessary for physicist to predict the accuracy of delivered dose for VMAT QA.
Analysis results from the Los Alamos 2D/3D program
Boyack, B.E.; Cappiello, M.W.; Harmony, S.C.; Shire, P.R.; Siebe, D.A.
Los Alamos National Laboratory is a participant in the 2D/3D program. Activities conducted at Los Alamos National Laboratory in support of 2D/3D program goals include analysis support of facility design, construction, and operation; provision of boundary and initial conditions for test-facility operations based on analysis of pressurized water reactors; performance of pretest and posttest predictions and analyses; and use of experimental results to validate and assess the single- and multi-dimensional, nonequilibrium features in the Transient Reactor Analysis Code (TRAC). During fiscal year 1987, Los Alamos conducted analytical assessment activities using data from the Slab Core Test Facility, The Cylindrical Core Test Facility, and the Upper Plenum Test Facility. Finally, Los Alamos continued work to provide TRAC improvements. In this paper, Los Alamos activities during fiscal year 1987 will be summarized; several significant accomplishments will be described in more detail to illustrate the work activities at Los Alamos.
Evaluation on intrinsic quality of licorice influenced by environmental factors by using FTIR combined with 2D-IR correlation spectroscopy
NASA Astrophysics Data System (ADS)
Zhou, Ying-qun; Yu, Hua; Zhang, Yan-ling; Sun, Su-qin; Chen, Shi-lin; Zhao, Run-huai; Zhou, Qun; Noda, Isao
To evaluate the intrinsic quality of licorice influenced by environmental factors, the spectral comparison of licorice from two typical ecological habitats was conducted by using FTIR and 2D-IR correlation spectroscopy. There were differences in the peak intensities of 1155, 1076 and 1048 cm -1 of FTIR profiles. The difference was amplified by the second derivative spectrum for the peak intensities at 1370, 1365 and 1317 cm -1 and the peak shape in 958-920 cm -1 and 1050-988 cm -1. The synchronous 2D-IR spectra within the range of 860-1300 cm -1 were classified into type I and type II and their frequency in the two groups was noticeably different. Although the chemical compounds of licorice samples from two areas were generally similar, the contents of starch, calcium oxalate, and some chemical compounds containing alcohol hydroxyl group were different, indicating the influence of precipitation and temperature. This study demonstrates that the systematical analysis of FTIR, the second derivative spectrum and 2D-IR can effectively determine the differences in licorice samples from different ecological habitats.
Robust initialization of 2D-3D image registration using the projection-slice theorem and phase correlation
Bom, M. J. van der; Bartels, L. W.; Gounis, M. J.; Homan, R.; Timmer, J.; Viergever, M. A.; Pluim, J. P. W.
Purpose: The image registration literature comprises many methods for 2D-3D registration for which accuracy has been established in a variety of applications. However, clinical application is limited by a small capture range. Initial offsets outside the capture range of a registration method will not converge to a successful registration. Previously reported capture ranges, defined as the 95% success range, are in the order of 4-11 mm mean target registration error. In this article, a relatively computationally inexpensive and robust estimation method is proposed with the objective to enlarge the capture range. Methods: The method uses the projection-slice theorem in combination with phase correlation in order to estimate the transform parameters, which provides an initialization of the subsequent registration procedure. Results: The feasibility of the method was evaluated by experiments using digitally reconstructed radiographs generated from in vivo 3D-RX data. With these experiments it was shown that the projection-slice theorem provides successful estimates of the rotational transform parameters for perspective projections and in case of translational offsets. The method was further tested on ex vivo ovine x-ray data. In 95% of the cases, the method yielded successful estimates for initial mean target registration errors up to 19.5 mm. Finally, the method was evaluated as an initialization method for an intensity-based 2D-3D registration method. The uninitialized and initialized registration experiments had success rates of 28.8% and 68.6%, respectively. Conclusions: The authors have shown that the initialization method based on the projection-slice theorem and phase correlation yields adequate initializations for existing registration methods, thereby substantially enlarging the capture range of these methods.
Image-based RSA: Roentgen stereophotogrammetric analysis based on 2D-3D image registration.
de Bruin, P W; Kaptein, B L; Stoel, B C; Reiber, J H C; Rozing, P M; Valstar, E R
Image-based Roentgen stereophotogrammetric analysis (IBRSA) integrates 2D-3D image registration and conventional RSA. Instead of radiopaque RSA bone markers, IBRSA uses 3D CT data, from which digitally reconstructed radiographs (DRRs) are generated. Using 2D-3D image registration, the 3D pose of the CT is iteratively adjusted such that the generated DRRs resemble the 2D RSA images as closely as possible, according to an image matching metric. Effectively, by registering all 2D follow-up moments to the same 3D CT, the CT volume functions as common ground. In two experiments, using RSA and using a micromanipulator as gold standard, IBRSA has been validated on cadaveric and sawbone scapula radiographs, and good matching results have been achieved. The accuracy was: |mu |< 0.083 mm for translations and |mu| < 0.023 degrees for rotations. The precision sigma in x-, y-, and z-direction was 0.090, 0.077, and 0.220 mm for translations and 0.155 degrees , 0.243 degrees , and 0.074 degrees for rotations. Our results show that the accuracy and precision of in vitro IBRSA, performed under ideal laboratory conditions, are lower than in vitro standard RSA but higher than in vivo standard RSA. Because IBRSA does not require radiopaque markers, it adds functionality to the RSA method by opening new directions and possibilities for research, such as dynamic analyses using fluoroscopy on subjects without markers and computer navigation applications. PMID:17706656
Differential Analysis of 2-D Maps by Pixel-Based Approaches.
Marengo, Emilio; Robotti, Elisa; Quasso, Fabio
Two approaches to the analysis of 2-D maps are available: the first one involves a step of spot detection on each gel image; the second one is based instead on the direct differential analysis of 2-D map images, following a pixel-based procedure. Both approaches strongly depend on the proper alignment of the gel images, but the pixel-based approach allows to solve important drawbacks of the spot-volume procedure, i.e., the problem of missing data and of overlapping spots. However, this approach is quite computationally intensive and requires the use of algorithms able to separate the information (i.e., spot-related information) from the background. Here, the most recent pixel-based approaches are described. PMID:26611422
Fluorescence2D: Software for Accelerated Acquisition and Analysis of Two-Dimensional Fluorescence Spectra
Kovrigin, Evgenii L.
The Fluorescence2D is free software that allows analysis of two-dimensional fluorescence spectra obtained using the accelerated "triangular" acquisition schemes. The software is a combination of Python and MATLAB-based programs that perform conversion of the triangular data, display of the two-dimensional spectra, extraction of 1D slices at different wavelengths, and output in various graphic formats. PMID:24984078
Analysis of 2D Phase Contrast MRI in Renal Arteries by Self Organizing Maps
NASA Astrophysics Data System (ADS)
Zöllner, Frank G.; Schad, Lothar R.
We present an approach based on self organizing maps to segment renal arteries from 2D PC Cine MR, images to measure blood velocity and flow. Such information are important in grading renal artery stenosis and support the decision on surgical interventions like percu-tan transluminal angioplasty. Results show that the renal arteries could be extracted automatically. The corresponding velocity profiles show high correlation (r=0.99) compared those from manual delineated vessels. Furthermore, the method could detect possible blood flow patterns within the vessel.
2D-DIGE proteomic analysis identifies new potential therapeutic targets for adrenocortical carcinoma
Armignacco, Roberta; Ercolino, Tonino; Canu, Letizia; Baroni, Gianna; Nesi, Gabriella; Galli, Andrea; Mannelli, Massimo; Luconi, Michaela
Adrenocortical carcinoma (ACC) is a rare aggressive tumor with poor prognosis when metastatic at diagnosis. The tumor biology is still mostly unclear, justifying the limited specificity and efficacy of the anti-cancer drugs currently available. This study reports the first proteomic analysis of ACC by using two-dimensional-differential-in-gel-electrophoresis (2D-DIGE) to evaluate a differential protein expression profile between adrenocortical carcinoma and normal adrenal. Mass spectrometry, associated with 2D-DIGE analysis of carcinomas and normal adrenals, identified 22 proteins in 27 differentially expressed 2D spots, mostly overexpressed in ACC. Gene ontology analysis revealed that most of the proteins concurs towards a metabolic shift, called the Warburg effect, in adrenocortical cancer. The differential expression was validated by Western blot for Aldehyde-dehydrogenase-6-A1,Transferrin, Fascin-1,Lamin A/C,Adenylate-cyclase-associated-protein-1 and Ferredoxin-reductase. Moreover, immunohistochemistry performed on paraffin-embedded ACC and normal adrenal specimens confirmed marked positive staining for all 6 proteins diffusely expressed by neoplastic cells, compared with normal adrenal cortex. In conclusion, our preliminary findings reveal a different proteomic profile in adrenocortical carcinoma compared with normal adrenal cortex characterized by overexpression of mainly metabolic enzymes, thus suggesting the Warburg effect also occurs in ACC. These proteins may represent promising novel ACC biomarkers and potential therapeutic targets if validated in larger cohorts of patients. PMID:25691058
Multiple triangulation analysis: application to determine the velocity of 2-D structures
NASA Astrophysics Data System (ADS)
Zhou, X.-Z.; Zong, Q.-G.; Wang, J.; Pu, Z. Y.; Zhang, X. G.; Shi, Q. Q.; Cao, J. B.
In order to avoid the ambiguity of the application of the Triangulation Method (multi-spacecraft timing method) to two-dimensional structures, another version of this method, the Multiple Triangulation Analysis (MTA) is used, to calculate the velocities of these structures based on 4-point measurements. We describe the principle of MTA and apply this approach to a real event observed by the Cluster constellation on 2 October 2003. The resulting velocity of the 2-D structure agrees with the ones obtained by some other methods fairly well. So we believe that MTA is a reliable version of the Triangulation Method for 2-D structures, and thus provides us a new way to describe their motion.
Human factors flight trial analysis for 2D/3D SVS
NASA Astrophysics Data System (ADS)
Schiefele, Jens; Howland, Duncan; Maris, John; Wipplinger, Patrick
The paper describes flight trials performed in Reno, NV. Flight trial were conducted with a Cheyenne 1 from Marinvent. Twelve pilots flew the Cheyenne in seventy-two approaches to the Reno airfield. All pilots flew completely andomized settings. Three different settings (standard displays, 2D moving map, and 2D/3D moving map) were evaluated. They included seamless evaluation for STAR, approach, and taxi operations. The flight trial goal was to evaluate the objective performance of pilots compared among the different settings. As dependent variables, positional and time accuracy were measured. Analysis was conducted by an ANOVA test. In parallel, all pilots answered subjective Cooper-Harper, situation awareness rating technique (SART), situational awareness probe (SAP), and questionnaires.This article describes the human factor analysis from flight trials performed in Reno, NV. Flight trials were conducted with a Cheyenne 1 from Marinvent. Thirteen pilots flew the Cheyenne in seventy-two approaches to the Reno airfield. All pilots flew completely randomized settings. Three different display configurations: Elec. Flight Information System (EFIS), EFIS and 2D moving map, and 3D SVS Primary Flight Display (PFD) and 2D moving map were evaluated. They included normal/abnormal procedure evaluation for: Steep turns and reversals, Unusual attitude recovery, Radar vector guidance towards terrain, Non-precision approaches, En-route alternate for non-IFR rated pilots encountering IMC, and Taxiing on complex taxi-routes. The flight trial goal was to evaluate the objective performance of pilots for the different display configurations. As dependent variables, positional and time data were measured. Analysis was performed by an ANOVA test. In parallel, all pilots answered subjective NASA Task Load Index, Cooper-Harper, Situation Awareness Rating Technique (SART), and questionnaires. The result shows that pilots flying 2D/3D SVS perform no worse than pilots with conventional
Real-time 2D spatially selective MRI experiments: Comparative analysis of optimal control design methods
NASA Astrophysics Data System (ADS)
Maximov, Ivan I.; Vinding, Mads S.; Tse, Desmond H. Y.; Nielsen, Niels Chr.; Shah, N. Jon
There is an increasing need for development of advanced radio-frequency (RF) pulse techniques in modern magnetic resonance imaging (MRI) systems driven by recent advancements in ultra-high magnetic field systems, new parallel transmit/receive coil designs, and accessible powerful computational facilities. 2D spatially selective RF pulses are an example of advanced pulses that have many applications of clinical relevance, e.g., reduced field of view imaging, and MR spectroscopy. The 2D spatially selective RF pulses are mostly generated and optimised with numerical methods that can handle vast controls and multiple constraints. With this study we aim at demonstrating that numerical, optimal control (OC) algorithms are efficient for the design of 2D spatially selective MRI experiments, when robustness towards e.g. field inhomogeneity is in focus. We have chosen three popular OC algorithms; two which are gradient-based, concurrent methods using first- and second-order derivatives, respectively; and a third that belongs to the sequential, monotonically convergent family. We used two experimental models: a water phantom, and an in vivo human head. Taking into consideration the challenging experimental setup, our analysis suggests the use of the sequential, monotonic approach and the second-order gradient-based approach as computational speed, experimental robustness, and image quality is key. All algorithms used in this work were implemented in the MATLAB environment and are freely available to the MRI community.
Real-time 2D spatially selective MRI experiments: Comparative analysis of optimal control design methods.
Maximov, Ivan I; Vinding, Mads S; Tse, Desmond H Y; Nielsen, Niels Chr; Shah, N Jon
There is an increasing need for development of advanced radio-frequency (RF) pulse techniques in modern magnetic resonance imaging (MRI) systems driven by recent advancements in ultra-high magnetic field systems, new parallel transmit/receive coil designs, and accessible powerful computational facilities. 2D spatially selective RF pulses are an example of advanced pulses that have many applications of clinical relevance, e.g., reduced field of view imaging, and MR spectroscopy. The 2D spatially selective RF pulses are mostly generated and optimised with numerical methods that can handle vast controls and multiple constraints. With this study we aim at demonstrating that numerical, optimal control (OC) algorithms are efficient for the design of 2D spatially selective MRI experiments, when robustness towards e.g. field inhomogeneity is in focus. We have chosen three popular OC algorithms; two which are gradient-based, concurrent methods using first- and second-order derivatives, respectively; and a third that belongs to the sequential, monotonically convergent family. We used two experimental models: a water phantom, and an in vivo human head. Taking into consideration the challenging experimental setup, our analysis suggests the use of the sequential, monotonic approach and the second-order gradient-based approach as computational speed, experimental robustness, and image quality is key. All algorithms used in this work were implemented in the MATLAB environment and are freely available to the MRI community. PMID:25863895
2D optical array probe analysis of precipitating cumulonimbus clouds during EPIC 2001
NASA Astrophysics Data System (ADS)
Baumgardner, D.; Raga, G. B.
During the 2001 East Pacific Investigation of Climate (EPIC) experiment, numerous measurements were made of the size distributions of raindrops in convective clouds that were developing over a region of the Mexican inter- tropical convergence zone (ITCZ). These measurements were made with optical array probes (PMS 2D-C and 2D-P) mounted on the National Science Foundation Hercules C-130, operated by the National Center for Atmospheric Research. In addition to capturing shadow images of individual drops between 25 μm and 6400 μm, these instruments also record the distance between each drop via a measurement of arrival times in the spectrometers lasers. The separation distance, along with the drop size, provides detailed information about the microstructure of precipitation. The 2D probe measurements have been analyzed as a function of altitude above cloud base, horizontal distance from cloud edges, cloud droplet size distributions (2-50 μm) and vertical wind velocities. The objective of the analysis is to evaluate the spatial distribution of precipitation events with respect to the microphysical and dynamical processes that are related to the development and evolution of rain in tropical convective clouds. In addition, the reflectivity is calculated from the size distributions and evaluated to assess how inhomogeneities in the precipitation might be observed by meteorological radars.
Analysis results from the Los Alamos 2D/3D program
Boyack, B.E.; Cappiello, M.W.; Stumpf, H.; Shire, P.; Gilbert, J.; Hedstrom, J.
Los Alamos National Laboratory is a participant in the 2D/3D program. Activities conducted at Los Alamos National Laboratory in support of 2D/3D program goals include analysis support of facility design, construction, and operation; provision of boundary and initial conditions for test facility operations based on analysis of pressurized water reactors; performance of pretest and posttest predictions and analyses; and use of experimental results to validate and assess the single- and multidimensional nonequilibrium features in the Transient Reactor Analysis Code (TRAC). During Fiscal Year 1986, Los Alamos conducted analytical assessment activities using data from the Cylindrical Core Test Facility and the Slab Core Test Facility. Los Alamos also continued to provide support analysis for the planning of Upper Plenum Test Facility experiments. Finally, Los Alamos either completed or is currently working on three areas of TRAC modeling improvement. In this paper, Los Alamos activities during Fiscal Year 1986 are summarized; several significant accomplishments are described in more detail to illustrate the work activities at Los Alamos.
2D dynamic studies combined with the surface curvature analysis to predict Arias Intensity amplification
NASA Astrophysics Data System (ADS)
Torgoev, Almaz; Havenith, Hans-Balder
A 2D elasto-dynamic modelling of the pure topographic seismic response is performed for six models with a total length of around 23.0 km. These models are reconstructed from the real topographic settings of the landslide-prone slopes situated in the Mailuu-Suu River Valley, Southern Kyrgyzstan. The main studied parameter is the Arias Intensity (Ia, m/sec), which is applied in the GIS-based Newmark method to regionally map the seismically-induced landslide susceptibility. This method maps the Ia values via empirical attenuation laws and our studies investigate a potential to include topographic input into them. Numerical studies analyse several signals with varying shape and changing central frequency values. All tests demonstrate that the spectral amplification patterns directly affect the amplification of the Ia values. These results let to link the 2D distribution of the topographically amplified Ia values with the parameter called as smoothed curvature. The amplification values for the low-frequency signals are better correlated with the curvature smoothed over larger spatial extent, while those values for the high-frequency signals are more linked to the curvature with smaller smoothing extent. The best predictions are provided by the curvature smoothed over the extent calculated according to Geli's law. The sample equations predicting the Ia amplification based on the smoothed curvature are presented for the sinusoid-shape input signals. These laws cannot be directly implemented in the regional Newmark method, as 3D amplification of the Ia values addresses more problem complexities which are not studied here. Nevertheless, our 2D results prepare the theoretical framework which can potentially be applied to the 3D domain and, therefore, represent a robust basis for these future research targets.
2D dynamic studies combined with the surface curvature analysis to predict Arias Intensity amplification
NASA Astrophysics Data System (ADS)
Torgoev, Almaz; Havenith, Hans-Balder
A 2D elasto-dynamic modelling of the pure topographic seismic response is performed for six models with a total length of around 23.0 km. These models are reconstructed from the real topographic settings of the landslide-prone slopes situated in the Mailuu-Suu River Valley, Southern Kyrgyzstan. The main studied parameter is the Arias Intensity (Ia, m/sec), which is applied in the GIS-based Newmark method to regionally map the seismically-induced landslide susceptibility. This method maps the Ia values via empirical attenuation laws and our studies investigate a potential to include topographic input into them. Numerical studies analyse several signals with varying shape and changing central frequency values. All tests demonstrate that the spectral amplification patterns directly affect the amplification of the Ia values. These results let to link the 2D distribution of the topographically amplified Ia values with the parameter called as smoothed curvature. The amplification values for the low-frequency signals are better correlated with the curvature smoothed over larger spatial extent, while those values for the high-frequency signals are more linked to the curvature with smaller smoothing extent. The best predictions are provided by the curvature smoothed over the extent calculated according to Geli's law. The sample equations predicting the Ia amplification based on the smoothed curvature are presented for the sinusoid-shape input signals. These laws cannot be directly implemented in the regional Newmark method, as 3D amplification of the Ia values addresses more problem complexities which are not studied here. Nevertheless, our 2D results prepare the theoretical framework which can potentially be applied to the 3D domain and, therefore, represent a robust basis for these future research targets.
Dynamics-based selective 2D (1)H/(1)H chemical shift correlation spectroscopy under ultrafast MAS conditions.
Zhang, Rongchun; Ramamoorthy, Ayyalusamy
Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of (1)H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of (1)H/(1)H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials. PMID:26026440
Parametric analysis of 2D guided-wave photonic band gap structures
NASA Astrophysics Data System (ADS)
Ciminelli, C.; Peluso, F.; Armenise, M. N.
The parametric analysis of the electromagnetic properties of 2D guided wave photonic band gap structures is reported with the aim of providing a valid tool for the optimal design. The modelling approach is based on the Bloch-Floquet method. Different lattice configurations and geometrical parameters are considered. An optimum value for the ratio between the hole (or rod) radius and the lattice constant does exist and the calculation demonstrated that it is almost independent from the etching depth, only depending on the lattice type. The results are suitable for the design optimisation of photonic crystal reflectors to be used in integrated optical devices.
Parametric analysis of 2D guided-wave photonic band gap structures.
Ciminelli, C; Peluso, F; Armenise, M
The parametric analysis of the electromagnetic properties of 2D guided wave photonic band gap structures is reported with the aim of providing a valid tool for the optimal design. The modelling approach is based on the Bloch-Floquet method. Different lattice configurations and geometrical parameters are considered. An optimum value for the ratio between the hole (or rod) radius and the lattice constant does exist and the calculation demonstrated that it is almost independent from the etching depth, only depending on the lattice type. The results are suitable for the design optimisation of photonic crystal reflectors to be used in integrated optical devices. PMID:19503180
A scaling analysis of the superconducting fluctuations in 2D InOx thin films
NASA Astrophysics Data System (ADS)
Liu, Wei; Kim, Minsoo; Wu, Tai-Lung; Ganapathy, Sambandamurthy; Armitage, Peter
We apply a broadband microwave Corbino spectrometer covering the range from 10MHz to 20GHz to the study of 2D disordered superconducting InOx thin films. Explicit frequency dependency of the superfluid stiffness and conductivity are obtained down to 300mK. Via vacuum annealing, we investigate a broad range of disorder levels and transition temperatures in a single film. We perform a scaling analysis in which we can extract characteristic relaxation time of superconducting fluctuations. We discuss our results in terms of prevailing scenarios for fluctuation superconductivity and make connection to other experimental results.
Combining 2D synchrosqueezed wave packet transform with optimization for crystal image analysis
NASA Astrophysics Data System (ADS)
Lu, Jianfeng; Wirth, Benedikt; Yang, Haizhao
We develop a variational optimization method for crystal analysis in atomic resolution images, which uses information from a 2D synchrosqueezed transform (SST) as input. The synchrosqueezed transform is applied to extract initial information from atomic crystal images: crystal defects, rotations and the gradient of elastic deformation. The deformation gradient estimate is then improved outside the identified defect region via a variational approach, to obtain more robust results agreeing better with the physical constraints. The variational model is optimized by a nonlinear projected conjugate gradient method. Both examples of images from computer simulations and imaging experiments are analyzed, with results demonstrating the effectiveness of the proposed method.
HPLC analysis of discrete haptoglobin isoform N-linked oligosaccharides following 2D-PAGE isolation.
He, Zhicong; Aristoteli, Lina P; Kritharides, Leonard; Garner, Brett
Glycosylation is a common but variable modification that regulates glycoprotein structure and function. We combined small format 2D-PAGE with HPLC to analyse discrete human haptoglobin isoform N-glycans. Seven major and several minor haptoglobin isoforms were detected by 2D-PAGE. N-Glycans released from Coomassie-stained gel spots using PNGase were labeled at their reducing termini with 2-aminobenzamide. HPLC analysis of selected major isoform N-glycans indicated that sialic acid composition determined their separation by isoelectric focussing. N-Glycans from two doublets of quantitatively minor isoforms were also analysed. Although separation of each pair of doublets was influenced by sialylation, individual spots within each doublet contained identical N-glycans. Thus, heterogeneity in minor haptoglobin isoforms was due to modifications distinct from N-glycan structure. These studies describe a simple method for analysing low abundance protein N-glycans and provide details of discrete haptoglobin isoform N-glycan structures which will be useful in proteomic analysis of human plasma samples. PMID:16546121
2D light scattering static cytometry for label-free single cell analysis with submicron resolution.
Xie, Linyan; Yang, Yan; Sun, Xuming; Qiao, Xu; Liu, Qiao; Song, Kun; Kong, Beihua; Su, Xuantao
Conventional optical cytometric techniques usually measure fluorescence or scattering signals at fixed angles from flowing cells in a liquid stream. Here we develop a novel cytometer that employs a scanning optical fiber to illuminate single static cells on a glass slide, which requires neither microfluidic fabrication nor flow control. This static cytometric technique measures two dimensional (2D) light scattering patterns via a small numerical aperture (0.25) microscope objective for label-free single cell analysis. Good agreement is obtained between the yeast cell experimental and Mie theory simulated patterns. It is demonstrated that the static cytometer with a microscope objective of a low resolution around 1.30 μm has the potential to perform high resolution analysis on yeast cells with distributed sizes. The capability of the static cytometer for size determination with submicron resolution is validated via measurements on standard microspheres with mean diameters of 3.87 and 4.19 μm. Our 2D light scattering static cytometric technique may provide an easy-to-use, label-free, and flow-free method for single cell diagnostics. PMID:26115102
Infinitesimal-area 2D radiative analysis using parametric surface representation, through NURBS
Daun, K.J.; Hollands, K.G.T.
The use of form factors in the treatment of radiant enclosures requires that the radiosity and surface properties be treated as uniform over finite areas. This restriction can be relaxed by applying an infinitesimal-area analysis, where the radiant exchange is taken to be between infinitesimal areas, rather than finite areas. This paper presents a generic infinitesimal-area formulation that can be applied to two-dimensional enclosure problems. (Previous infinitesimal-area analyses have largely been restricted to specific, one-dimensional problems.) Specifically, the paper shows how the analytical expression for the kernel of the integral equation can be obtained without human intervention, once the enclosure surface has been defined parametrically. This can be accomplished by using a computer algebra package or by using NURBS algorithms, which are the industry standard for the geometrical representations used in CAD-CAM codes. Once the kernel has been obtained by this formalism, the 2D integral equation can be set up and solved numerically. The result is a single general-purpose infinitesimal-area analysis code that can proceed from surface specification to solution. The authors have implemented this 2D code and tested it on 1D problems, whose solutions have been given in the literature, obtaining agreement commensurate with the accuracy of the published solutions.
Lacunarity analysis of raster datasets and 1D, 2D, and 3D point patterns
NASA Astrophysics Data System (ADS)
Dong, Pinliang
Spatial scale plays an important role in many fields. As a scale-dependent measure for spatial heterogeneity, lacunarity describes the distribution of gaps within a set at multiple scales. In Earth science, environmental science, and ecology, lacunarity has been increasingly used for multiscale modeling of spatial patterns. This paper presents the development and implementation of a geographic information system (GIS) software extension for lacunarity analysis of raster datasets and 1D, 2D, and 3D point patterns. Depending on the application requirement, lacunarity analysis can be performed in two modes: global mode or local mode. The extension works for: (1) binary (1-bit) and grey-scale datasets in any raster format supported by ArcGIS and (2) 1D, 2D, and 3D point datasets as shapefiles or geodatabase feature classes. For more effective measurement of lacunarity for different patterns or processes in raster datasets, the extension allows users to define an area of interest (AOI) in four different ways, including using a polygon in an existing feature layer. Additionally, directionality can be taken into account when grey-scale datasets are used for local lacunarity analysis. The methodology and graphical user interface (GUI) are described. The application of the extension is demonstrated using both simulated and real datasets, including Brodatz texture images, a Spaceborne Imaging Radar (SIR-C) image, simulated 1D points on a drainage network, and 3D random and clustered point patterns. The options of lacunarity analysis and the effects of polyline arrangement on lacunarity of 1D points are also discussed. Results from sample data suggest that the lacunarity analysis extension can be used for efficient modeling of spatial patterns at multiple scales.
Length of psychiatric hospitalization is correlated with CYP2D6 functional status in inpatients with major depressive disorder
Ruaño, Gualberto; Szarek, Bonnie L; Villagra, David; Gorowski, Krystyna; Kocherla, Mohan; Seip, Richard L; Goethe, John W; Schwartz, Harold I
Aim This study aimed to determine the effect of the CYP2D6 genotype on the length of hospitalization stay for patients treated for major depressive disorder. Methods A total of 149 inpatients with a diagnosis of major depressive disorder at the Institute of Living, Hartford Hospital (CT, USA), were genotyped to detect altered alleles in the CYP2D6 gene. Prospectively defined drug metabolism indices (metabolic reserve, metabolic alteration and allele alteration) were determined quantitatively and assessed for their relationship to length of hospitalization stay. Results Hospital stay was significantly longer in deficient CYP2D6 metabolizers (metabolic reserve <2) compared with functional or suprafunctional metabolizers (metabolic reserve ≥2; 7.8 vs 5.7 days, respectively; p = 0.002). Conclusion CYP2D6 enzymatic functional status significantly affected length of hospital stay, perhaps due to reduced efficacy or increased side effects of the medications metabolized by the CYP2D6 isoenzyme. Functional scoring of CYP2D6 alleles may have a substantial impact on the quality of care, patient satisfaction and the economics of psychiatric treatment. PMID:23734807
Experimental Analysis of a 2-D Lightcraft in Static and Hypersonic Conditions
NASA Astrophysics Data System (ADS)
Salvador, Israel I.; Myrabo, Leik N.; Minucci, Marco A. S.; de Oliveira, Antonio C.; Rego, Israel S.; Toro, Paulo G. P.; Channes, José B.
Aiming at the hypersonic phase of the Earth-to-Orbit trajectory for a laser propelled vehicle, a 2-D Lightcraft model was designed to be tested at the T3 Hypersonic Shock Tunnel at the Henry T. Nagamatsu Laboratory for Aerodynamics and Hypersonics. A high energy laser pulse was supplied by a Lumonics TEA 620 laser system operating in unstable resonator cavity mode. The experiments were performed at quiescent (no flow) conditions and at a nominal Mach number of 9.2. A Schlieren visualization apparatus was used in order to access both the cold hypersonic flowfield structure (without laser deposition) and the time dependent flowfield structure, taking place after the laser induced breakdown inside the absorption chamber. The model was fitted with piezoelectric pressure transducers and surface junction thermocouples in an attempt to measure pressure and heat transfer time dependent distributions at the internal surfaces of the model's absorption chamber. The 2-D model followed a modular design for flexibility on the analysis of geometrical features contribution on the expansion of the laser induced blast wave. Finally, future evolution of the experiments being currently pursued is addressed.
[Analysis of streamer properties and emission spectroscopy of 2-D OH distribution of pulsed corona discharge].
Zhao, Lei; Gao, Xiang; Luo, Zhong-Yang; Xuan, Jian-Yong; Jiang, Jian-Ping; Cen, Ke-Fa
Streamer plays a key role in the process of OH radical generation. The propagation of primary and secondary streamers of positive wire-plate pulsed corona discharge was observed using a short gate ICCD in air environment. The influence of the applied voltage on the properties was investigated. It was shown that the primary streamer propagation velocity, electric coverage and length of secondary streamer increased significantly with increasing the applied voltage. Then 2-D OH distribution was investigated by the emission spectrum. With the analysis of the OH emission spectra, the distribution of OH radicals showed a trend of decreasing from the wire electrode to its circumambience. Compared with the streamer propagation trace, the authors found that OH radical distribution and streamer are in the same area. Both OH radical concentration and the intensity of streamer decreased when far away from the wire electrode. PMID:22242481
Optical fiber poling by induction: analysis by 2D numerical modeling.
De Lucia, F; Huang, D; Corbari, C; Healy, N; Sazio, P J A
Since their first demonstration some 25 years ago, thermally poled silica fibers have been used to realize device functions such as electro-optic modulation, switching, polarization-entangled photons, and optical frequency conversion with a number of advantages over bulk free-space components. We have recently developed an innovative induction poling technique that could allow for the development of complex microstructured fiber geometries for highly efficient χ(2)-based device applications. To systematically implement these more advanced poled fiber designs, we report here the development of comprehensive numerical models of the induction poling mechanism itself via two-dimensional (2D) simulations of ion migration and space-charge region formation using finite element analysis. PMID:27082323
Numerical method of crack analysis in 2D finite magnetoelectroelastic media
NASA Astrophysics Data System (ADS)
Zhao, Minghao; Xu, Guangtao; Fan, Cuiying
The present paper extends the hybrid extended displacement discontinuity fundamental solution method (HEDD-FSM) (Eng Anal Bound Elem 33:592-600, 2009) to analysis of cracks in 2D finite magnetoelectroelastic media. The solution of the crack is expressed approximately by a linear combination of fundamental solutions of the governing equations, which includes the extended point force fundamental solutions with sources placed at chosen points outside the domain of the problem under consideration, and the extended Crouch fundamental solutions with extended displacement discontinuities placed on the crack. The coefficients of the fundamental solutions are determined by letting the approximated solution satisfy the prescribed boundary conditions on the boundary of the domain and on the crack face. The Crouch fundamental solution for a parabolic element at the crack tip is derived to model the square root variations of near tip fields. The extended stress intensity factors are calculated under different electric and magnetic boundary conditions.
Interfractional trend analysis of dose differences based on 2D transit portal dosimetry
NASA Astrophysics Data System (ADS)
Persoon, L. C. G. G.; Nijsten, S. M. J. J. G.; Wilbrink, F. J.; Podesta, M.; Snaith, J. A. D.; Lustberg, T.; van Elmpt, W. J. C.; van Gils, F.; Verhaegen, F.
Dose delivery of a radiotherapy treatment can be influenced by a number of factors. It has been demonstrated that the electronic portal imaging device (EPID) is valuable for transit portal dosimetry verification. Patient related dose differences can emerge at any time during treatment and can be categorized in two types: (1) systematic—appearing repeatedly, (2) random—appearing sporadically during treatment. The aim of this study is to investigate how systematic and random information appears in 2D transit dose distributions measured in the EPID plane over the entire course of a treatment and how this information can be used to examine interfractional trends, building toward a methodology to support adaptive radiotherapy. To create a trend overview of the interfractional changes in transit dose, the predicted portal dose for the different beams is compared to a measured portal dose using a γ evaluation. For each beam of the delivered fraction, information is extracted from the γ images to differentiate systematic from random dose delivery errors. From the systematic differences of a fraction for a projected anatomical structures, several metrics are extracted like percentage pixels with |γ| > 1. We demonstrate for four example cases the trends and dose difference causes which can be detected with this method. Two sample prostate cases show the occurrence of a random and systematic difference and identify the organ that causes the difference. In a lung cancer case a trend is shown of a rapidly diminishing atelectasis (lung fluid) during the course of treatment, which was detected with this trend analysis method. The final example is a breast cancer case where we show the influence of set-up differences on the 2D transit dose. A method is presented based on 2D portal transit dosimetry to record dose changes throughout the course of treatment, and to allow trend analysis of dose discrepancies. We show in example cases that this method can identify the causes of
One Dimensional(1D)-to-2D Crossover of Spin Correlations in the 3D Magnet ZnMn2O4
Disseler, S. M.; Chen, Y.; Yeo, S.; Gasparovic, G.; Piccoli, P. M. B.; Schultz, A. J.; Qiu, Y.; Huang, Q.; Cheong, S. -W.; Ratcliff, W.
In this paper we report on the intriguing evolution of the dynamical spin correlations of the frustrated spinel ZnMn2O4. Inelastic neutron scattering and magnetization studies reveal that the dynamical correlations at high temperatures are 1D. At lower temperature, these dynamical correlations become 2D. Surprisingly, the dynamical correlations condense into a quasi 2D Ising-like ordered state, making this a rare observation of two dimensional order on the spinel lattice. Remarkably, 3D ordering is not observed down to temperatures as low as 300 mK. This unprecedented dimensional crossover stems from frustrated exchange couplings due to the huge Jahn-Teller distortions around Mn3+ ionsmore » on the spinel lattice.« less
One Dimensional(1D)-to-2D Crossover of Spin Correlations in the 3D Magnet ZnMn2O4
Disseler, S. M.; Chen, Y.; Yeo, S.; Gasparovic, G.; Piccoli, P. M. B.; Schultz, A. J.; Qiu, Y.; Huang, Q.; Cheong, S.-W.; Ratcliff, W.
We report on the intriguing evolution of the dynamical spin correlations of the frustrated spinel ZnMn2O4. Inelastic neutron scattering and magnetization studies reveal that the dynamical correlations at high temperatures are 1D. At lower temperature, these dynamical correlations become 2D. Surprisingly, the dynamical correlations condense into a quasi 2D Ising-like ordered state, making this a rare observation of two dimensional order on the spinel lattice. Remarkably, 3D ordering is not observed down to temperatures as low as 300 mK. This unprecedented dimensional crossover stems from frustrated exchange couplings due to the huge Jahn-Teller distortions around Mn3+ ions on the spinel lattice. PMID:26644220
One Dimensional(1D)-to-2D Crossover of Spin Correlations in the 3D Magnet ZnMn2O4
Disseler, S. M.; Chen, Y.; Yeo, S.; Gasparovic, G.; Piccoli, P. M. B.; Schultz, A. J.; Qiu, Y.; Huang, Q.; Cheong, S. -W.; Ratcliff, W.
In this paper we report on the intriguing evolution of the dynamical spin correlations of the frustrated spinel ZnMn2O4. Inelastic neutron scattering and magnetization studies reveal that the dynamical correlations at high temperatures are 1D. At lower temperature, these dynamical correlations become 2D. Surprisingly, the dynamical correlations condense into a quasi 2D Ising-like ordered state, making this a rare observation of two dimensional order on the spinel lattice. Remarkably, 3D ordering is not observed down to temperatures as low as 300 mK. This unprecedented dimensional crossover stems from frustrated exchange couplings due to the huge Jahn-Teller distortions around Mn3+ ions on the spinel lattice.
von Neumann Stability Analysis of Numerical Solution Schemes for 1D and 2D Euler Equations
NASA Astrophysics Data System (ADS)
Konangi, Santosh; Palakurthi, Nikhil Kumar; Ghia, Urmila
A von Neumann stability analysis is conducted for numerical schemes for the full system of coupled, density-based 1D and 2D Euler equations, closed by an isentropic equation of state. The governing equations are discretized on a staggered grid, which permits equivalence to finite-volume discretization. Presently, first-order accurate spatial and temporal finite-difference techniques are analyzed. The momentum convection term is treated as explicit, semi-implicit or implicit. Density upwind bias is included in the spatial operator of the continuity equation. By combining the discretization techniques, ten solution schemes are formulated. For each scheme, unstable and stable regimes are identified through the stability analysis, and the maximum allowable CFL number is predicted. The predictions are verified for selected schemes, using the Riemann problem at incompressible and compressible Mach numbers. Very good agreement is obtained between the analytically predicted and ``experimentally'' observed CFL values for all cases, thereby validating the analysis. The demonstrated analysis provides an accurate indication of stability conditions for the Euler equations, in contrast to the simplistic conditions arising from model equations, such as the wave equation.
Analysis of the antiferromagnetic phase transitions of the 2D Kondo lattice
NASA Astrophysics Data System (ADS)
Jones, Barbara
The Kondo lattice continues to present an interesting and relevant challenge, with its interactions between Kondo, RKKY, and coherent order. We present our study[1] of the antiferromagnetic quantum phase transitions of a 2D Kondo-Heisenberg square lattice. Starting from the nonlinear sigma model as a model of antiferromagnetism, we carry out a renormalization group analysis of the competing Kondo-RKKY interaction to one-loop order in an ɛ-expansion. We find a new quantum critical point (QCP) strongly affected by Kondo fluctuations. Near this QCP, there is a breakdown of hydrodynamic behavior, and the spin waves are logarithmically frozen out. The renormalization group results allow us to propose a new phase diagram near the antiferromagnetic fixed point of this 2D Kondo lattice model. The T=0 phase diagram contains four phases separated by a tetracritical point, the new QCP. For small spin fluctuations, we find a stable local magnetic moment antiferromagnet. For stronger coupling, region II is a metallic quantum disordered paramagnet. We find in region III a paramagnetic phase driven by Kondo interactions, with possible ground states of a heavy fermion liquid or a Kondo driven spin-liquid. The fourth phase is a spiral phase, or a large-Fermi-surface antiferromagnetic phase. We will describe these phases in more detail, including possible experimental confirmation of the spiral phase. The existence of the tetracritical point found here would be expected to affect the phase diagram at finite temperatures as well. In addition, It is hoped that these results, and particularly the Kondo interaction paramagnetic phase, will serve to bridge to solutions starting from the opposite limit, of a Kondo effect leading to a heavy fermion ground state. Work in collaboration with T. Tzen Ong. [4pt] [1] T. Ong and B. A. Jones, Phys. Rev. Lett. 103, 066405 (2009).
2D proteome analysis initiates new Insights on the Salmonella Typhimurium LuxS protein
Background Quorum sensing is a term describing a bacterial communication system mediated by the production and recognition of small signaling molecules. The LuxS enzyme, catalyzing the synthesis of AI-2, is conserved in a wide diversity of bacteria. AI-2 has therefore been suggested as an interspecies quorum sensing signal. To investigate the role of endogenous AI-2 in protein expression of the Gram-negative pathogen Salmonella enterica serovar Typhimurium (S. Typhimurium), we performed a 2D-DIGE proteomics experiment comparing total protein extract of wildtype S. Typhimurium with that of a luxS mutant, unable to produce AI-2. Results Differential proteome analysis of wildtype S. Typhimurium versus a luxS mutant revealed relatively few changes beyond the known effect on phase 2 flagellin. However, two highly differentially expressed protein spots with similar molecular weight but differing isoelectric point, were identified as LuxS whereas the S. Typhimurium genome contains only one luxS gene. This observation was further explored and we show that the S. Typhimurium LuxS protein can undergo posttranslational modification at a catalytic cysteine residue. Additionally, by constructing LuxS-βla and LuxS-PhoA fusion proteins, we demonstrate that S. Typhimurium LuxS can substitute the cognate signal peptide sequences of β-lactamase and alkaline phosphatase for translocation across the cytoplasmic membrane in S. Typhimurium. This was further confirmed by fractionation of S. Typhimurium protein extracts, followed by Western blot analysis. Conclusion 2D-DIGE analysis of a luxS mutant vs. wildtype Salmonella Typhimurium did not reveal new insights into the role of AI-2/LuxS in Salmonella as only a small amount of proteins were differentially expressed. However, subsequent in depth analysis of the LuxS protein itself revealed two interesting features: posttranslational modification and potential translocation across the cytoplasmic membrane. As the S. Typhimurium Lux
High-resolution high-sensitivity elemental imaging by secondary ion mass spectrometry: from traditional 2D and 3D imaging to correlative microscopy
NASA Astrophysics Data System (ADS)
Wirtz, T.; Philipp, P.; Audinot, J.-N.; Dowsett, D.; Eswara, S.
Secondary ion mass spectrometry (SIMS) constitutes an extremely sensitive technique for imaging surfaces in 2D and 3D. Apart from its excellent sensitivity and high lateral resolution (50 nm on state-of-the-art SIMS instruments), advantages of SIMS include high dynamic range and the ability to differentiate between isotopes. This paper first reviews the underlying principles of SIMS as well as the performance and applications of 2D and 3D SIMS elemental imaging. The prospects for further improving the capabilities of SIMS imaging are discussed. The lateral resolution in SIMS imaging when using the microprobe mode is limited by (i) the ion probe size, which is dependent on the brightness of the primary ion source, the quality of the optics of the primary ion column and the electric fields in the near sample region used to extract secondary ions; (ii) the sensitivity of the analysis as a reasonable secondary ion signal, which must be detected from very tiny voxel sizes and thus from a very limited number of sputtered atoms; and (iii) the physical dimensions of the collision cascade determining the origin of the sputtered ions with respect to the impact site of the incident primary ion probe. One interesting prospect is the use of SIMS-based correlative microscopy. In this approach SIMS is combined with various high-resolution microscopy techniques, so that elemental/chemical information at the highest sensitivity can be obtained with SIMS, while excellent spatial resolution is provided by overlaying the SIMS images with high-resolution images obtained by these microscopy techniques. Examples of this approach are given by presenting in situ combinations of SIMS with transmission electron microscopy (TEM), helium ion microscopy (HIM) and scanning probe microscopy (SPM).
High-resolution high-sensitivity elemental imaging by secondary ion mass spectrometry: from traditional 2D and 3D imaging to correlative microscopy.
Wirtz, T; Philipp, P; Audinot, J-N; Dowsett, D; Eswara, S
Secondary ion mass spectrometry (SIMS) constitutes an extremely sensitive technique for imaging surfaces in 2D and 3D. Apart from its excellent sensitivity and high lateral resolution (50 nm on state-of-the-art SIMS instruments), advantages of SIMS include high dynamic range and the ability to differentiate between isotopes. This paper first reviews the underlying principles of SIMS as well as the performance and applications of 2D and 3D SIMS elemental imaging. The prospects for further improving the capabilities of SIMS imaging are discussed. The lateral resolution in SIMS imaging when using the microprobe mode is limited by (i) the ion probe size, which is dependent on the brightness of the primary ion source, the quality of the optics of the primary ion column and the electric fields in the near sample region used to extract secondary ions; (ii) the sensitivity of the analysis as a reasonable secondary ion signal, which must be detected from very tiny voxel sizes and thus from a very limited number of sputtered atoms; and (iii) the physical dimensions of the collision cascade determining the origin of the sputtered ions with respect to the impact site of the incident primary ion probe. One interesting prospect is the use of SIMS-based correlative microscopy. In this approach SIMS is combined with various high-resolution microscopy techniques, so that elemental/chemical information at the highest sensitivity can be obtained with SIMS, while excellent spatial resolution is provided by overlaying the SIMS images with high-resolution images obtained by these microscopy techniques. Examples of this approach are given by presenting in situ combinations of SIMS with transmission electron microscopy (TEM), helium ion microscopy (HIM) and scanning probe microscopy (SPM). PMID:26436905
2D map projections for visualization and quantitative analysis of 3D fluorescence micrographs
Sendra, G. Hernán; Hoerth, Christian H.; Wunder, Christian; Lorenz, Holger
We introduce Map3-2D, a freely available software to accurately project up to five-dimensional (5D) fluorescence microscopy image data onto full-content 2D maps. Similar to the Earth's projection onto cartographic maps, Map3-2D unfolds surface information from a stack of images onto a single, structurally connected map. We demonstrate its applicability for visualization and quantitative analyses of spherical and uneven surfaces in fixed and dynamic live samples by using mammalian and yeast cells, and giant unilamellar vesicles. Map3-2D software is available at http://www.zmbh.uni-heidelberg.de//Central_Services/Imaging_Facility/Map3-2D.html. PMID:26208256
Relevance of 2D radiographic texture analysis for the assessment of 3D bone micro-architecture
Apostol, Lian; Boudousq, Vincent; Basset, Oliver; Odet, Christophe; Yot, Sophie; Tabary, Joachim; Dinten, Jean-Marc; Boller, Elodie; Kotzki, Pierre-Olivier; Peyrin, Francoise
Although the diagnosis of osteoporosis is mainly based on dual x-ray absorptiometry, it has been shown that trabecular bone micro-architecture is also an important factor in regard to fracture risk. In vivo, techniques based on high-resolution x-ray radiography associated to texture analysis have been proposed to investigate bone micro-architecture, but their relevance for giving pertinent 3D information is unclear. Thirty-three calcaneus and femoral neck bone samples including the cortical shells (diameter: 14 mm, height: 30-40 mm) were imaged using 3D-synchrotron x-ray micro-CT at the ESRF. The 3D reconstructed images with a cubic voxel size of 15 {mu}m were further used for two purposes: (1) quantification of three-dimensional trabecular bone micro-architecture (2) simulation of realistic x-ray radiographs under different acquisition conditions. The simulated x-ray radiographs were then analyzed using a large variety of texture analysis methods (co-occurrence, spectral density, fractal, morphology, etc.). The range of micro-architecture parameters was in agreement with previous studies and rather large, suggesting that the population was representative. More than 350 texture parameters were tested. A small number of them were selected based on their correlation to micro-architectural morphometric parameters. Using this subset of texture parameters, multiple regression allowed one to predict up to 93% of the variance of micro-architecture parameters using three texture features. 2D texture features predicting 3D micro-architecture parameters other than BV/TV were identified. The methodology proposed for evaluating the relationships between 3D micro-architecture and 2D texture parameters may also be used for optimizing the conditions for radiographic imaging. Further work will include the application of the method to physical radiographs. In the future, this approach could be used in combination with DXA to refine osteoporosis diagnosis.
Computational Study and Analysis of Structural Imperfections in 1D and 2D Photonic Crystals
K.R. Maskaly
increasing RMS roughness. Again, the homogenization approximation is able to predict these results. The problem of surface scratches on 1D photonic crystals is also addressed. Although the reflectivity decreases are lower in this study, up to a 15% change in reflectivity is observed in certain scratched photonic crystal structures. However, this reflectivity change can be significantly decreased by adding a low index protective coating to the surface of the photonic crystal. Again, application of homogenization theory to these structures confirms its predictive power for this type of imperfection as well. Additionally, the problem of a circular pores in 2D photonic crystals is investigated, showing that almost a 50% change in reflectivity can occur for some structures. Furthermore, this study reveals trends that are consistent with the 1D simulations: parameter changes that increase the absolute reflectivity of the photonic crystal will also increase its tolerance to structural imperfections. Finally, experimental reflectance spectra from roughened 1D photonic crystals are compared to the results predicted computationally in this thesis. Both the computed and experimental spectra correlate favorably, validating the findings presented herein.
A 2D optomechanical focused laser spot scanner: analysis and experimental results for microstereolithography
NASA Astrophysics Data System (ADS)
Gandhi, P. S.; Deshmukh, S.
This paper proposes and analyzes a 2D optomechanical-focused laser spot scanning system (patent pending) which allows uniform intensity focused spot scanning with high speed and high resolution over a large range of scan. Such scanning is useful where variation of focused spot characteristics affects the performance of applications such as micro-/nano-stereolithography, laser micro-machining, scanning optical tweezers, optical scanning microscopy, and so on. Proposed scanning is achieved by using linear movement of mirrors and lens maintaining the alignment of motion and optical axis of laser. Higher speed and high resolution at the same time are achieved by use of two serial double parallelogram flexural mechanisms with mechatronics developed around them. Optical analysis is carried out to demonstrate effectiveness of the proposed system numerically and is further supported by the experimental results. Additional analysis is carried out to demonstrate robustness of the scanner in the case of small misalignment errors incurred in actual practice. Although the proposed scanner is useful in general in several applications mentioned above, discussion in this paper is focused on microstereolithography.
Regularized Generalized Canonical Correlation Analysis
ERIC Educational Resources Information Center
Tenenhaus, Arthur; Tenenhaus, Michel
Regularized generalized canonical correlation analysis (RGCCA) is a generalization of regularized canonical correlation analysis to three or more sets of variables. It constitutes a general framework for many multi-block data analysis methods. It combines the power of multi-block data analysis methods (maximization of well identified criteria) and…
A comparative analysis of 2D and 3D CAD for calcifications in digital breast tomosynthesis
NASA Astrophysics Data System (ADS)
Acciavatti, Raymond J.; Ray, Shonket; Keller, Brad M.; Maidment, Andrew D. A.; Conant, Emily F.
Many medical centers offer digital breast tomosynthesis (DBT) and 2D digital mammography acquired under the same compression (i.e., "Combo" examination) for screening. This paper compares a conventional 2D CAD algorithm (Hologic® ImageChecker® CAD v9.4) for calcification detection against a prototype 3D algorithm (Hologic® ImageChecker® 3D Calc CAD v1.0). Due to the newness of DBT, the development of this 3D CAD algorithm is ongoing, and it is currently not FDA-approved in the United States. For this study, DBT screening cases with suspicious calcifications were identified retrospectively at the University of Pennsylvania. An expert radiologist (E.F.C.) reviewed images with both 2D and DBT CAD marks, and compared the marks to biopsy results. Control cases with one-year negative follow-up were also studied; these cases either possess clearly benign calcifications or lacked calcifications. To allow the user to alter the sensitivity for cancer detection, an operating point is assigned to each CAD mark. As expected from conventional 2D CAD, increasing the operating point in 3D CAD increases sensitivity and reduces specificity. Additionally, we showed that some cancers are occult to 2D CAD at all operating points. By contrast, 3D CAD allows for detection of some cancers that are missed on 2D CAD. We also demonstrated that some non-cancerous CAD marks in 3D are not present at analogous locations in the 2D image. Hence, there are additional marks when using both 2D and 3D CAD in combination, leading to lower specificity than with conventional 2D CAD alone.
Performance Analysis of the Microsoft Kinect Sensor for 2D Simultaneous Localization and Mapping (SLAM) Techniques
Kamarudin, Kamarulzaman; Mamduh, Syed Muhammad; Shakaff, Ali Yeon Md; Zakaria, Ammar
This paper presents a performance analysis of two open-source, laser scanner-based Simultaneous Localization and Mapping (SLAM) techniques (i.e., Gmapping and Hector SLAM) using a Microsoft Kinect to replace the laser sensor. Furthermore, the paper proposes a new system integration approach whereby a Linux virtual machine is used to run the open source SLAM algorithms. The experiments were conducted in two different environments; a small room with no features and a typical office corridor with desks and chairs. Using the data logged from real-time experiments, each SLAM technique was simulated and tested with different parameter settings. The results show that the system is able to achieve real time SLAM operation. The system implementation offers a simple and reliable way to compare the performance of Windows-based SLAM algorithm with the algorithms typically implemented in a Robot Operating System (ROS). The results also indicate that certain modifications to the default laser scanner-based parameters are able to improve the map accuracy. However, the limited field of view and range of Kinect's depth sensor often causes the map to be inaccurate, especially in featureless areas, therefore the Kinect sensor is not a direct replacement for a laser scanner, but rather offers a feasible alternative for 2D SLAM tasks. PMID:25490595
Performance analysis of the Microsoft Kinect sensor for 2D Simultaneous Localization and Mapping (SLAM) techniques.
Kamarudin, Kamarulzaman; Mamduh, Syed Muhammad; Shakaff, Ali Yeon Md; Zakaria, Ammar
This paper presents a performance analysis of two open-source, laser scanner-based Simultaneous Localization and Mapping (SLAM) techniques (i.e., Gmapping and Hector SLAM) using a Microsoft Kinect to replace the laser sensor. Furthermore, the paper proposes a new system integration approach whereby a Linux virtual machine is used to run the open source SLAM algorithms. The experiments were conducted in two different environments; a small room with no features and a typical office corridor with desks and chairs. Using the data logged from real-time experiments, each SLAM technique was simulated and tested with different parameter settings. The results show that the system is able to achieve real time SLAM operation. The system implementation offers a simple and reliable way to compare the performance of Windows-based SLAM algorithm with the algorithms typically implemented in a Robot Operating System (ROS). The results also indicate that certain modifications to the default laser scanner-based parameters are able to improve the map accuracy. However, the limited field of view and range of Kinect's depth sensor often causes the map to be inaccurate, especially in featureless areas, therefore the Kinect sensor is not a direct replacement for a laser scanner, but rather offers a feasible alternative for 2D SLAM tasks. PMID:25490595
Image inpainting on the basis of spectral structure from 2-D nonharmonic analysis.
Hasegawa, Masaya; Kako, Takahiro; Hirobayashi, Shigeki; Misawa, Tadanobu; Yoshizawa, Toshio; Inazumi, Yasuhiro
The restoration of images by digital inpainting is an active field of research and such algorithms are, in fact, now widely used. Conventional methods generally apply textures that are most similar to the areas around the missing region or use a large image database. However, this produces discontinuous textures and thus unsatisfactory results. Here, we propose a new technique to overcome this limitation by using signal prediction based on the nonharmonic analysis (NHA) technique proposed by the authors. NHA can be used to extract accurate spectra, irrespective of the window function, and its frequency resolution is less than that of the discrete Fourier transform. The proposed method sequentially generates new textures on the basis of the spectrum obtained by NHA. Missing regions from the spectrum are repaired using an improved cost function for 2D NHA. The proposed method is evaluated using the standard images Lena, Barbara, Airplane, Pepper, and Mandrill. The results show an improvement in MSE of about 10-20 compared with the examplar-based method and good subjective quality. PMID:23549889
Analysis of capacitive sensing for 2D-MEMS scanner laser projection
NASA Astrophysics Data System (ADS)
von Wantoch, Thomas; Mallas, Christian; Hofmann, Ulrich; Janes, Joachim; Wagner, Bernhard; Benecke, Wolfgang
Typical applications for resonantly driven vacuum packaged MEMS scanners including laser projection displays require a feedback signal for closed-loop operation as well as high accuracy angle synchronization for data processing. A well known and widely used method is based on determining the angular velocity of the oscillating micromirror by measuring the time derivative of a capacitance. In this work we analyze a capacitive sensing approach that uses integrated vertical comb structures to synchronize the angular motion of a torsional micromirror oscillating in resonance. The investigated measurement method is implemented in a laser display that generates a video projection by scanning a RBG laser beam. As the 2D-micromirror performs sinusoidal oscillations on both perpendicular axes a continuously moving Lissajous pattern is projected. By measuring the displacement current due to an angular deflection of the movable comb structures an appropriate feedback signal for actuation and data synchronization is computed. In order to estimate the angular deflection and velocity a mathematical model of the capacitive sensing system is presented. In particular, the nonlinear characteristic of the capacitance as a function of the angle that is calculated using FEM analysis is approximated using cubic splines. Combining this nonlinear function with a dynamic model of the micromirror oscillation and the analog electronics a mathematical model of the capacitive measurement system is derived. To evaluate the proposed model numerical simulations are realized using MATLAB/Simulink and are compared to experimental measurements.
Analysis of unsectioned specimens: 2D and tomographic PIXE with STIM
NASA Astrophysics Data System (ADS)
Schofield, Robert M. S.; Lefevre, Harlan W.
Two techniques for quantitative analysis of heterogeneous thick specimens are reviewed. First, a measurement of the total zinc content in the abdomen of a fly is reported. The calculation used to determine the uncertainty in this measurement is detailed. STIM measurements at two different angles were used to determine the possible range of the X-ray production cross section and the X-ray attenuation factors. The abdomen content of zinc was determined to be 0.022( + 0.009, -0.006) (μg. Second, a PIXE-STIM mutomographic determination of metal concentrations in the sting of a scorpion is reviewed. STIM tomography was used to determine the X-ray production cross sections and the X-ray attenuation factors for points inside of the specimen. Details of how this information was then used for reconstructions of PIXE tomographic data are given. Finally, 2D PIXE measurements on a thick section of this sting are reported. On this section the measured concentration of zinc reached 22(± 3)% of dry mass, in satisfactory agreement with the results from tomography, 25(± 3)%.
2D-HPLC and MALDI-TOF/TOF analysis of barley proteins glycated during brewing.
Petry-Podgórska, Inga; Zídková, Jitka; Flodrová, Dana; Bobálová, Janette
The barley proteins have been the subject of interests of many research groups dealing with barley grains, malt and beer. The proteins which remain intact after harsh malting conditions influence the quality and flavor of beer. The characteristic feature of the proteins present in malt and beer is their extensive modification with carbohydrates, mainly glucose that comes from the starch degradation during technological processes. The degree of the protein glycation has an effect on the quality of malt and beer and on the properties of the beer foam. A combination of two-dimensional high performance liquid chromatography (2D-HPLC) and matrix assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF/TOF MS) was used for the analysis of the protein extracts that were reduced, alkylated, and degraded enzymatically without prior protein separation. This so-called "shot-gun" approach enabled us to determine glycation sites in one third of the proteins identified in the study and to propose potential glycation markers for fast and efficient monitoring during malting. PMID:20956095
Correlative feature analysis on FFDM
Yuan Yading; Giger, Maryellen L.; Li Hui; Sennett, Charlene
Identifying the corresponding images of a lesion in different views is an essential step in improving the diagnostic ability of both radiologists and computer-aided diagnosis (CAD) systems. Because of the nonrigidity of the breasts and the 2D projective property of mammograms, this task is not trivial. In this pilot study, we present a computerized framework that differentiates between corresponding images of the same lesion in different views and noncorresponding images, i.e., images of different lesions. A dual-stage segmentation method, which employs an initial radial gradient index (RGI) based segmentation and an active contour model, is applied to extract mass lesions from the surrounding parenchyma. Then various lesion features are automatically extracted from each of the two views of each lesion to quantify the characteristics of density, size, texture and the neighborhood of the lesion, as well as its distance to the nipple. A two-step scheme is employed to estimate the probability that the two lesion images from different mammographic views are of the same physical lesion. In the first step, a correspondence metric for each pairwise feature is estimated by a Bayesian artificial neural network (BANN). Then, these pairwise correspondence metrics are combined using another BANN to yield an overall probability of correspondence. Receiver operating characteristic (ROC) analysis was used to evaluate the performance of the individual features and the selected feature subset in the task of distinguishing corresponding pairs from noncorresponding pairs. Using a FFDM database with 123 corresponding image pairs and 82 noncorresponding pairs, the distance feature yielded an area under the ROC curve (AUC) of 0.81{+-}0.02 with leave-one-out (by physical lesion) evaluation, and the feature metric subset, which included distance, gradient texture, and ROI-based correlation, yielded an AUC of 0.87{+-}0.02. The improvement by using multiple feature metrics was statistically
Removal of t1 noise from metabolomic 2D 1H- 13C HSQC NMR spectra by Correlated Trace Denoising
NASA Astrophysics Data System (ADS)
Poulding, Simon; Charlton, Adrian J.; Donarski, James; Wilson, Julie C.
The presence of t1 noise artefacts in 2D phase-cycled Heteronuclear Single Quantum Coherence (HSQC) spectra constrains the use of this experiment despite its superior sensitivity. This paper proposes a new processing algorithm, working in the frequency-domain, for reducing t1 noise. The algorithm has been developed for use in contexts, such as metabolomic studies, where existing denoising techniques cannot always be applied. Two test cases are presented that show the algorithm to be effective in improving the SNR of peaks embedded within t1 noise by a factor of more than 2, while retaining the intensity and shape of genuine peaks.
Sodium ion effect on silk fibroin conformation characterized by solid-state NMR and generalized 2D NMR NMR correlation
NASA Astrophysics Data System (ADS)
Ruan, Qing-Xia; Zhou, Ping
In the present work, we investigated Na + ion effect on the silk fibroin (SF) conformation. Samples are Na +-involved regenerated silk fibroin films. 13C CP-MAS NMR demonstrates that as added [Na +] increases, partial silk fibroin conformation transit from helix-form to β-form at certain Na + ion concentration which is much higher than that in Bombyx mori silkworm gland. The generalized two-dimensional NMR-NMR correlation analysis reveals that silk fibroin undergoes several intermediate states during its conformation transition process as [Na +] increase. The appearance order of the intermediates is followed as: helix and/or random coil → helix-like → β-sheet-like → β-sheet, which is the same as that produced by pH decrease from 6.8 to 4.8 in the resultant regenerated silk fibroin films. The binding sites of Na + to silk fibroin might involve the carbonyl oxygen atom of certain amino acids sequence which could promote the formation of β-sheet conformation. Since the Na +sbnd O bond is weak, the ability of Na + inducing the secondary structure transition is weaker than those of Ca 2+, Cu 2+ and even K +. It is maybe a reason why the sodium content is much lower than potassium in the silkworm gland.
Population pharmacokinetic analysis of risperidone and 9-hydroxyrisperidone with genetic polymorphisms of CYP2D6 and ABCB1.
Yoo, Hee-Doo; Cho, Hea-Young; Lee, Sang-No; Yoon, Hwa; Lee, Yong-Bok
This study estimated the population pharmacokinetics of risperidone and its active metabolite, 9-hydroxyrisperidone, according to genetic polymorphisms in the metabolizing enzyme (CYP2D6) and transporter (ABCB1) genes in healthy subjects. Eighty healthy subjects who received a single oral dose of 2 mg risperidone participated in this study. However, eight subjects with rare genotype variants in CYP2D6 alleles were excluded from the final model built in this study. We conducted the population pharmacokinetic analysis of risperidone and 9-hydroxyrisperidone using a nonlinear mixed effects modeling (NONMEM) method and explored the possible influence of genetic polymorphisms in CYP2D6 alleles and ABCB1 (2677G>T/A and 3435C>T) on the population pharmacokinetics of risperidone and 9-hydroxyrisperidone. A two-compartment model with a first-order absorption and lag time fitted well to serum concentration-time curve for risperidone. 9-hydroxyrisperidone was well described by a one-compartment model as an extension of the parent drug (risperidone) model with first-order elimination and absorption partially from the depot. Significant covariates for risperidone clearance were genetic polymorphisms of CYP2D6*10, including CYP2D6*1/*10 (27.5 % decrease) and CYP2D6*10/*10 (63.8 % decrease). There was significant difference in the absorption rate constant (k ( a )) of risperidone among the CYP2D6*10 genotype groups. In addition, combined ABCB1 3435C>T and CYP2D6*10 genotypes had a significant (P < 0.01) effect on the fraction of metabolite absorbed from the depot. The population pharmacokinetic model of risperidone and 9-hydroxyrisperidone including the genetic polymorphisms of CYP2D6*10 and ABCB1 3435C>T as covariates was successfully constructed. The estimated contribution of genetic polymorphisms in CYP2D6*10 and ABCB1 3435C>T to population pharmacokinetics of risperidone and 9-hydroxyrisperidone suggests the interplay of CYP2D6 and ABCB1 on the pharmacokinetics of
PFC2D Analysis of Frank Slide rockfall deposit (Turtle Mountain, Canada)
NASA Astrophysics Data System (ADS)
Pons, Maria Güell I.; Charrière, Marie; Pedrazzini, Andrea; Froese, Corey; Jaboyedoff, Michel
The eastern slope of Turtle Mountain collapse (Frank Slide, Alberta, Canada) involved a total of 30 M m3 of material and caused 70 fatalities in 1903. At the moment Turtle Mountain is one of the most monitored rock-slope sites in the world and several studies and simulations have been published. Detailed field work on the structural characteristics of the deposit has been performed (block size and lithology distribution, geomorphologic map of the deposit…). As an alternative to traditional numerical analysis, such as finite element methods or discontinuum methods, we analyze Frank Slide by means of the distinct element numerical model PFC2D, which considers the rock mass as an assembly of circular particles which can be bonded together and interact with each other and with the boundaries by contact laws. Assuming an initial configuration (given failure surface) several tests are made; firstly the movement is simulated as a granular flow (with no bonding between particles), secondly rock clusters are defined to match detached blocks identified in the field and thirdly the bonds between particles are enabled in order to account for first failure processes and block fragmentation. In order to simulate fracture, heterogeneity is implemented on bond resistance properties by a statistical function. Mechanic properties such as stresses, velocities and energy are monitored during the propagation process. Color markers for each lithology enable to identify internal deformation in the rockslide during emplacement. Results permit to compare the run-out distance and deposit configuration with spatial patterns observed in field work and might give insight to the nature of Frank Slide propagation.
Analysis of 2D hyperbolic metamaterial dispersion by elementary excitation coupling
NASA Astrophysics Data System (ADS)
Vaianella, Fabio; Maes, Bjorn
Hyperbolic metamaterials are examined for many applications thanks to the large density of states and extreme confinement of light they provide. For classical hyperbolic metal/dielectric multilayer structures, it was demon- strated that the properties originate from a specific coupling of the surface plasmon polaritons between the metal/dielectric interfaces. We show a similar analysis for 2D hyperbolic arrays of square (or rectangular) silver nanorods in a TiO2 host. In this case the properties derive from a specific coupling of the plasmons carried by the corners of the nanorods. The dispersion can be seen as the coupling of single rods for a through-metal connection of the corners, as the coupling of structures made of four semi-infinite metallic blocks separated by dielectric for a through-dielectric connection, or as the coupling of two semi-infinite rods for a through-metal and through-dielectric situation. For arrays of small square nanorods the elementary structure that explains the dispersion of the array is the single rod, and for arrays of large square nanorods it is four metallic corners. The medium size square nanorod case is more complicated, because the elementary structure can be one of the three basic designs, depending on the frequency and symmetry of the modes. Finally, we show that for arrays of rectangular nanorods the dispersion is explained by coupling of the two coupled rod structure. This work opens the way for a better understanding of a wide class of metamaterials via their elementary excitations.
Study of Positronium in Low-k Dielectric Films by means of 2D-Angular Correlation Experiments at a High-Intensity Slow-Positron Beam
Gessmann, T; Petkov, M P; Weber, M H; Lynn, K G; Rodbell, K P; Asoka-Kumar, P; Stoeffl, W; Howell, R H
Depth-resolved measurements of the two-dimensional angular correlation of annihilation radiation (2D-ACAR) were performed at the high-intensity slow-positron beam of Lawrence Livermore National Laboratory. We studied the formation of positronium in thin films of methyl-silsesquioxane (MSSQ) spin-on glass containing open-volume defects in the size of voids. Samples with different average void sizes were investigated and positronium formation could be found in all cases. The width of the angular correlation related to the annihilation of parapositronium increased with the void size indicating the annihilation of non-thermalized parapositronium.
2-D nonlinear IIR-filters for image processing - An exploratory analysis
NASA Technical Reports Server (NTRS)
Bauer, P. H.; Sartori, M.
A new nonlinear IIR filter structure is introduced and its deterministic properties are analyzed. It is shown to be better suited for image processing applications than its linear shift-invariant counterpart. The new structure is obtained from causality inversion of a 2D quarterplane causal linear filter with respect to the two directions of propagation. It is demonstrated, that by using this design, a nonlinear 2D lowpass filter can be constructed, which is capable of effectively suppressing Gaussian or impulse noise without destroying important image information.
The Accuracy of Webcams in 2D Motion Analysis: Sources of Error and Their Control
ERIC Educational Resources Information Center
Page, A.; Moreno, R.; Candelas, P.; Belmar, F.
In this paper, we show the potential of webcams as precision measuring instruments in a physics laboratory. Various sources of error appearing in 2D coordinate measurements using low-cost commercial webcams are discussed, quantifying their impact on accuracy and precision, and simple procedures to control these sources of error are presented.…
Analysis of Korean Students' International Mobility by 2-D Model: Driving Force Factor and Directional Factor
ERIC Educational Resources Information Center
Park, Elisa L.
The purpose of this study is to understand the dynamics of Korean students' international mobility to study abroad by using the 2-D Model. The first D, "the driving force factor," explains how and what components of the dissatisfaction with domestic higher education perceived by Korean students drives students' outward mobility to seek foreign…
Analysis of vegetation effect on waves using a vertical 2-D RANS model
Technology Transfer Automated Retrieval System (TEKTRAN)
A vertical two-dimensional (2-D) model has been applied in the simulation of wave propagation through vegetated water bodies. The model is based on an existing model SOLA-VOF which solves the Reynolds-Averaged Navier-Stokes (RANS) equations with the finite difference method on a staggered rectangula...
High-accuracy 2D digital image correlation measurements using low-cost imaging lenses: implementation of a generalized compensation method
NASA Astrophysics Data System (ADS)
Pan, Bing; Yu, Liping; Wu, Dafang
The ideal pinhole imaging model commonly assumed for an ordinary two-dimensional digital image correlation (2D-DIC) system is neither perfect nor stable because of the existence of small out-of-plane motion of the test sample surface that occurred after loading, small out-of-plane motion of the sensor target due to temperature variation of a camera and unavoidable geometric distortion of an imaging lens. In certain cases, these disadvantages can lead to significant errors in the measured displacements and strains. Although a high-quality bilateral telecentric lens has been strongly recommended to be used in the 2D-DIC system as an essential optical component to achieve high-accuracy measurement, it is not generally applicable due to its fixed field of view, limited depth of focus and high cost. To minimize the errors associated with the imperfectness and instability of a common 2D-DIC system using a low-cost imaging lens, a generalized compensation method using a non-deformable reference sample is proposed in this work. With the proposed method, the displacement of the reference sample rigidly attached behind the test sample is first measured using 2D-DIC, and then it is fitted using a parametric model. The fitted parametric model is then used to correct the displacements of the deformed sample to remove the influences of these unfavorable factors. The validity of the proposed compensation method is first verified using out-of-plane translation, out-of-plane rotation, in-plane translation tests and their combinations. Uniaxial tensile tests of an aluminum specimen were also performed to quantitatively examine the strain accuracy of the proposed compensation method. Experiments show that the proposed compensation method is an easy-to-implement yet effective technique for achieving high-accuracy deformation measurement using an ordinary 2D-DIC system.
The correlation of 2D-resistivity and magnetic methods in fault verification at northern Sumatra, Indonesia
NASA Astrophysics Data System (ADS)
Kamaruddin, Nur Aminuda; Saad, Rosli; Nordiana, M. M.; Azwin, I. N.
The Great Sumatra Fault system was split into two sub-parallel lines or segments at the Northern Sumatra. This event is one of the impacts of powerful earthquakes that hit Sumatra Island especially one that occurred in 2004. These two sub-parallel segments known as Aceh and Seulimeum fault. The study is focused on the Seulimeum fault and two geophysical methods chosen aimed to compare and verified the result obtained respectively. 2-D resistivity method is a common geophysical method used in determination of near surface structures such as faults, cavities, voids and sinkholes. Meanwhile, the magnetic method often chosen to delineate subsurface structures, determine depth of magnetic source bodies and possibly sediment thickness. Three survey lines of resistivity method and randomly magnetic stations were carried out covering Krueng district. The resistivity data processed using Res2Dinv and result presented using Surfer software. The fault identified by the contrast of low and high resistivity value. Meanwhile, the magnetic data were presented in magnetic residual contour map and the extended fault system is suspected represent by the contrast value of the magnetic anomalies. Within suspected fault zone, the results of resistivity are tally with magnetic result.
Differential Analysis of 2D NMR Spectra: New Natural Products from a Pilot-Scale Fungal Extract Library
Technology Transfer Automated Retrieval System (TEKTRAN)
Using a newly developed protocol for the differential analysis of arrays of 2D NMR spectra, we were able to rapidly identify two previously unreported indole alkaloids from a library of unfractionated fungal extracts. Differential analyses of NMR spectra thus constitute an effective tool for the non...
2D wavelet-analysis-based calibration technique for flat-panel imaging detectors: application in cone beam volume CT
NASA Astrophysics Data System (ADS)
Tang, Xiangyang; Ning, Ruola; Yu, Rongfeng; Conover, David L.
The application of the newly developed flat panel x-ray imaging detector in cone beam volume CT has attracted increasing interest recently. Due to an imperfect solid state array manufacturing process, however, defective elements, gain non-uniformity and offset image unavoidably exist in all kinds of flat panel x-ray imaging detectors, which will cause severe streak and ring artifacts in a cone beam reconstruction image and severely degrade image quality. A calibration technique, in which the artifacts resulting from the defective elements, gain non-uniformity and offset image can be reduced significantly, is presented in this paper. The detection of defective elements is distinctively based upon two-dimensional (2D) wavelet analysis. Because of its inherent localizability in recognizing singularities or discontinuities, wavelet analysis possesses the capability of detecting defective elements over a rather large x-ray exposure range, e.g., 20% to approximately 60% of the dynamic range of the detector used. Three-dimensional (3D) images of a low-contrast CT phantom have been reconstructed from projection images acquired by a flat panel x-ray imaging detector with and without calibration process applied. The artifacts caused individually by defective elements, gain non-uniformity and offset image have been separated and investigated in detail, and the correlation with each other have also been exposed explicitly. The investigation is enforced by quantitative analysis of the signal to noise ratio (SNR) and the image uniformity of the cone beam reconstruction image. It has been demonstrated that the ring and streak artifacts resulting from the imperfect performance of a flat panel x-ray imaging detector can be reduced dramatically, and then the image qualities of a cone beam reconstruction image, such as contrast resolution and image uniformity are improved significantly. Furthermore, with little modification, the calibration technique presented here is also applicable
Structural and Functional Analysis of JMJD2D Reveals Molecular Basis for Site-Specific Demethylation among JMJD2 Demethylases
Krishnan, Swathi; Trievel, Raymond C.
We found that JMJD2 lysine demethylases (KDMs) participate in diverse genomic processes. Most JMJD2 homologs display dual selectivity toward H3K9me3 and H3K36me3, with the exception of JMJD2D, which is specific for H3K9me3. Here, we report the crystal structures of the JMJD2D•2-oxoglutarate•H3K9me3 ternary complex and JMJD2D apoenzyme. Utilizing structural alignments with JMJD2A, molecular docking, and kinetic analysis with an array of histone peptide substrates, we elucidate the specific signatures that permit efficient recognition of H3K9me3 by JMJD2A and JMJD2D, and the residues in JMJD2D that occlude H3K36me3 demethylation. Surprisingly, these results reveal that JMJD2A and JMJD2D exhibit subtle yet important differences in H3K9me3 recognition, despite the overall similarity in the substrate-binding conformation. Further, we show that H3T11 phosphorylation abrogates demethylation by JMJD2 KDMs. These studies reveal the molecular basis for JMJD2 site specificity and provide a framework for structure-based design of selective inhibitors of JMJD2 KDMs implicated in disease.
Human 2-D PAGE databases for proteome analysis in health and disease: http://biobase.dk/cgi-bin/celis.
Celis, J E; Gromov, P; Ostergaard, M; Madsen, P; Honoré, B; Dejgaard, K; Olsen, E; Vorum, H; Kristensen, D B; Gromova, I; Haunsø, A; Van Damme, J; Puype, M; Vandekerckhove, J; Rasmussen, H H
Human 2-D PAGE Databases established at the Danish Centre for Human Genome Research are now available on the World Wide Web (http://biobase.dk/cgi-bin/celis). The databanks, which offer a comprehensive approach to the analysis of the human proteome both in health and disease, contain data on known and unknown proteins recorded in various IEF and NEPHGE 2-D PAGE reference maps (non-cultured keratinocytes, non-cultured transitional cell carcinomas, MRC-5 fibroblasts and urine). One can display names and information on specific protein spots by clicking on the image of the gel representing the 2-D gel map in which one is interested. In addition, the database can be searched by protein name, keywords or organelle or cellular component. The entry files contain links to other databases such as Medline, Swiss-Prot, PIR, PDB, CySPID, OMIM, Methabolic pathways, etc. The on-line information is updated regularly. PMID:8977092
First experiences with 2D-mXRF analysis of gunshot residue on garment, tissue, and cartridge cases
NASA Astrophysics Data System (ADS)
Knijnenberg, Alwin; Stamouli, Amalia; Janssen, Martin
The investigation of garment and human tissue originating from a victim of a shooting incident can provide crucial information for the reconstruction of such an incident. The use of 2D-mXRF for such investigations has several advantages over current methods as this new technique can be used to scan large areas, provides simultaneous information on multiple elements, can be applied under ambient conditions and is non-destructive. In this paper we report our experiences and challenges with the implementation of 2D-mXRF in GSR analysis. Currently we mainly focus on the use of 2D-mXRF as a tool for visualizing elemental distributions on various samples.
Multifractal and Singularity Maps of soil surface moisture distribution derived from 2D image analysis.
NASA Astrophysics Data System (ADS)
Cumbrera, Ramiro; Millán, Humberto; Martín-Sotoca, Juan Jose; Pérez Soto, Luis; Sanchez, Maria Elena; Tarquis, Ana Maria
methods for mapping geochemical anomalies caused by buried sources and for predicting undiscovered mineral deposits in covered areas. Journal of Geochemical Exploration, 122, 55-70. Cumbrera, R., Ana M. Tarquis, Gabriel Gascó, Humberto Millán (2012) Fractal scaling of apparent soil moisture estimated from vertical planes of Vertisol pit images. Journal of Hydrology (452-453), 205-212. Martin Sotoca; J.J. Antonio Saa-Requejo, Juan Grau and Ana M. Tarquis (2016). Segmentation of singularity maps in the context of soil porosity. Geophysical Research Abstracts, 18, EGU2016-11402. Millán, H., Cumbrera, R. and Ana M. Tarquis (2016) Multifractal and Levy-stable statistics of soil surface moisture distribution derived from 2D image analysis. Applied Mathematical Modelling, 40(3), 2384-2395.
Advances in fast 2D camera data handling and analysis on NSTX
Davis, W. M.; Patel, R. I.; Boeglin, W. U.; Roquemore, A. L.; Maqueda, R. J.; Zweben, S. J.
The use of fast 2D cameras on NSTX continues to grow. There are 6 cameras with the capability of taking up to 1–2 gigabytes (GBs) of data apiece during each plasma shot on the National Spherical Torus Experiment (NSTX). Efficient storage and retrieval of this data remains a challenge. Performance comparisons are presented for reading data stored in MDSplus, using both compressed data and segmented records, and direct access I/O with different read sizes. Encouragingly, fast 2D camera data provides considerable insight into plasma complexities, such as small-scale turbulence and particle transport. The last part of this paper is an example of more recent uses: dual cameras looking at the same region of the plasma from different angles, which can provide trajectories of incandescent particles in 3D. A laboratory simulation of the 3D trajectories is presented, as well as corresponding data from NSTX plasma where glowing dust particles can be followed.
Resonant loop antenna design with a 2-D steady state analysis
Chen, G.I.; Ryan, P.M.; Hoffman, D.J.; Baity, F.W.; Swain, D.W.; Whealton, J.H.
Evaluation of resonant loop antenna designs for ICRF heating of plasmas requires information concerning the electrical characteristics of the structure. Our 2-D steady state model described herein provides us with current strap inductance and capacitance, surface current distributions, and flux linkage to the plasma. These are used to determine the current and voltage requirements, ohmic dissipation, frequency limits and matching requirements, maximum electric fields, and plasma loading in order to compare antenna designs.
NMR Analysis of Unknowns: An Introduction to 2D NMR Spectroscopy
ERIC Educational Resources Information Center
Alonso, David E.; Warren, Steven E.
A study combined 1D (one-dimensional) and 2D (two-dimensional) NMR spectroscopy to solve structural organic problems of three unknowns, which include 2-, 3-, and 4-heptanone. Results showed [to the first power]H NMR and [to the thirteenth power]C NMR signal assignments for 2- and 3-heptanone were more challenging than for 4-heptanone owing to the…
Fast detection of choline-containing metabolites in liver using 2D 1H- 14N three-bond correlation (HN3BC) spectroscopy
NASA Astrophysics Data System (ADS)
Mao, Xi-an; Li, Ning; Mao, Jiezhen; Li, Qiurong; Xiao, Nan; Jiang, Bin; Jiang, Ling; Wang, Xu-xia; Liu, Maili
Detection and quantification of total choline-containing metabolites (CCMs) in tissues by magnetic resonance spectroscopy (MRS) has received considerable attention as a biomarker of cancer. Tissue CCMs are mainly choline (Cho), phosphocholine (PCho), and glycerophosphocholine (GPCho). Because the methyl 1H resonances of tissue CCMs exhibit small chemical shift differences and overlap significantly in 1D 1H MRS, quantification of individual components is precluded. Development of a MRS method capably of resolving individual components of tissue CCMs would be a significant advance. Herein, a modification of the 2D 1H- 14N HSQC technique is targeted on the two methylene 1H in the CH 2O group ( 3J1H14N = 2.7 Hz) and applied to ex vivo mouse and human liver samples at physiological temperature (37 °C). Specifically, the 1H- 14N HSQC technique is modified into a 2D 1H- 14N three-bond correlation (HN3BC) experiment, which selectively detects the 1H of CH 2O coupled to 14N in CCMs. Separate signals from Cho, PCho, and GPCho components are resolved with high detection sensitivity. A 2D HN3BC spectrum can be recorded from mouse liver in only 1.5 min and from human carcinoma liver tissue in less than 3 min with effective sample volume of 0.2 ml at 14.1 T.
Parametrics on 2D Navier-Stokes analysis of a Mach 2.68 bifurcated rectangular mixed-compression inlet
NASA Technical Reports Server (NTRS)
Mizukami, M.; Saunders, J. D.
The supersonic diffuser of a Mach 2.68 bifurcated, rectangular, mixed-compression inlet was analyzed using a two-dimensional (2D) Navier-Stokes flow solver. Parametric studies were performed on turbulence models, computational grids and bleed models. The computer flowfield was substantially different from the original inviscid design, due to interactions of shocks, boundary layers, and bleed. Good agreement with experimental data was obtained in many aspects. Many of the discrepancies were thought to originate primarily from 3D effects. Therefore, a balance should be struck between expending resources on a high fidelity 2D simulation, and the inherent limitations of 2D analysis. The solutions were fairly insensitive to turbulence models, grids and bleed models. Overall, the k-e turbulence model, and the bleed models based on unchoked bleed hole discharge coefficients or uniform velocity are recommended. The 2D Navier-Stokes methods appear to be a useful tool for the design and analysis of supersonic inlets, by providing a higher fidelity simulation of the inlet flowfield than inviscid methods, in a reasonable turnaround time.
Two-dimensional correlation analysis of near-infrared spectral intensity variations of ground wheat
Technology Transfer Automated Retrieval System (TEKTRAN)
Generalized two-dimensional (2D) correlation analysis was applied to characterize the NIR spectral intensity fluctuations among many spectra of ground wheat with multi-variable variations. Prior to 2D analysis, the spectra having neighboring protein / SDSS reference values were averaged and then new...
Spin Correlations and Excitations in the Quasi-2D Triangular Bilayer Spin Glass LuCoGaO4
NASA Astrophysics Data System (ADS)
Fritsch, K.; Granroth, G. E.; Savici, A. T.; Noad, H. M. L.; Dabkowska, H. A.; Gaulin, B. D.
LuCoGaO4 is a layered magnetic-bilayer material wherein Co2+ magnetic moments and nonmagnetic Ga3+ ions are randomly distributed on planar triangular bilayers. This makes it an ideal case to study the interplay between geometric frustration, site disorder and low dimensionality and its influence on the magnetic ground of the system. This novel material has been grown for the first time in single crystal form at McMaster University. We have performed magnetization measurements, revealing a previously identified spin glass transition near Tf˜19K, and a Curie Weiss temperature of Tcw˜-96K, consistent with antiferromagnetic interactions[1]. We discuss time-of-flight neutron scattering measurements using SEQUOIA at SNS which elucidate the evolution of the static and dynamic spin correlations in LuCoGaO4 over a range of temperatures from T<< Tf to T>Tcw. We observe quasielastic scattering at (1/3,1/3,L) positions in reciprocal space and rods of scattering along the c*-direction, consistent with short range antiferromagnetic correlations within decoupled bilayers, and which comfirm the 2-dimensional character of this system. Inelastic scattering measurements show a gapped ˜ 12 meV spin excitation which softens and broadens in energy, filling in the gap on a temperature scale of ˜ Tcw/2. [1] Cava et al., J. Solid State Chem. 140, 337 (1998).
Characterization of novel isobenzofuranones by DFT calculations and 2D NMR analysis.
Teixeira, Milena G; Alvarenga, Elson S
Phthalides are frequently found in naturally occurring substances and exhibit a broad spectrum of biological activities. In the search for compounds with insecticidal activity, phthalides have been used as versatile building blocks for the syntheses of novel potential agrochemicals. In our work, the Diels-Alder reaction between furan-2(5H)-one and cyclopentadiene was used successfully to obtain (3aR,4S,7R,7aS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one and (3aS,4R,7S,7aR)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one (2) and (3aS,4S,7R,7aR)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one and (3aR,4R,7S,7aS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one (3). The endo adduct (2) was brominated to afford (3aR,4R,5R,7R,7aS,8R)-5,8-dibromohexahydro-4,7-methanoisobenzofuran-1(3H)-one and (3aS,4S,5S,7S,7aR,8S)-5,8-dibromohexahydro-4,7-methanoisobenzofuran-1(3H)-one (4) and (3aS,4R,5R,6S,7S,7aR)-5,6-dibromohexahydro-4,7-methanoisobenzofuran-1(3H)-one and (3aR,4S,5S,6R,7R,7aS)-5,6-dibromohexahydro-4,7-methanoisobenzofuran-1(3H)-one (5). Following the initial analysis of the NMR spectra and the proposed two novel unforeseen products, we have decided to fully analyze the classical and non-classical assay structures with the aid of computational calculations. Computation to predict the (13) C and (1) H chemical shifts for mean absolute error analyses have been carried out by gauge-including atomic orbital method at M06-2X/6-31+G(d,p) and B3LYP/6-311+G(2d,p) levels of theory for all viable conformers. Characterization of the novel unforeseen compounds (4) and (5) were not possible by employing only the experimental NMR data; however, a more conclusive structural identification was performed by comparing the experimental and theoretical (1) H and (13) C chemical shifts by mean absolute error and DP4 probability analyses. Copyright © 2016 John Wiley & Sons, Ltd. PMID:26811211
Initial global 2-D shielding analysis for the Advanced Neutron Source core and reflector
Bucholz, J.A.
This document describes the initial global 2-D shielding analyses for the Advanced Neutron Source (ANS) reactor, the D{sub 2}O reflector, the reflector vessel, and the first 200 mm of light water beyond the reflector vessel. Flux files generated here will later serve as source terms in subsequent shielding analyses. In addition to reporting fluxes and other data at key points of interest, a major objective of this report was to document how these analyses were performed, the phenomena that were included, and checks that were made to verify that these phenomena were properly modeled. In these shielding analyses, the fixed neutron source distribution in the core was based on the `lifetime-averaged` spatial power distribution. Secondary gamma production cross sections in the fuel were modified so as to account intrinsically for delayed fission gammas in the fuel as well as prompt fission gammas. In and near the fuel, this increased the low-energy gamma fluxes by 50 to 250%, but out near the reflector vessel, these same fluxes changed by only a few percent. Sensitivity studies with respect to mesh size were performed, and a new 2-D mesh distribution developed after some problems were discovered with respect to the use of numerous elongated mesh cells in the reflector. All of the shielding analyses were performed sing the ANSL-V 39n/44g coupled library with 25 thermal neutron groups in order to obtain a rigorous representation of the thermal neutron spectrum throughout the reflector. Because of upscatter in the heavy water, convergence was very slow. Ultimately, the fission cross section in the various materials had to be artificially modified in order to solve this fixed source problem as an eigenvalue problem and invoke the Vondy error-mode extrapolation technique which greatly accelerated convergence in the large 2-D RZ DORT analyses. While this was quite effective, 150 outer iterations (over energy) were still required.
Microphysical Analysis using Airborne 2-D Cloud and Precipitation Imaging Probe Data
NASA Astrophysics Data System (ADS)
Guy, N.; Jorgensen, D.; Witte, M.; Chuang, P. Y.; Black, R. A.
The NOAA P-3 instrumented aircraft provided in-situ cloud and precipitation microphysical observations during the DYNAMO (Dynamics of the Madden-Julian Oscillation) field experiment. The Particle Measuring System 2D cloud (2D-C) and precipitation (2D-P) probes collected data for particles between 12.5 μm - 1.55 mm (25 μm resolution) and 100 μm - 6.2 mm (100 μm resolution), respectively. Spectra from each instrument were combined to provide a broad distribution of precipitation particle sizes. The 'method of moments' technique was used to analyze drop size distribution (DSD) spectra, which were modeled by fitting a three-parameter (slope, shape, and intercept) gamma distribution to the spectra. The characteristic shape of the mean spectrum compares to previous maritime measurements. DSD variability will be presented with respect to the temporal evolution of cloud populations during a Madden-Julian Oscillation (MJO) event, as well as in-situ aircraft vertical wind velocity measurements. Using the third and sixth moments, rainfall rate (R) and equivalent radar reflectivity factor (Z), respectively, were computed for each DSD. Linear regression was applied to establish a Z-R relationship for the data for the estimation of precipitation. The study indicated unique characteristics of microphysical processes for this region. These results are important to continue to define the cloud population characteristics in the climatological MJO region. Improved representation of the cloud characteristics on the microphysical scale will serve as a check to model parameterizations, helping to improve numerical simulations.
2D-CELL: image processing software for extraction and analysis of 2-dimensional cellular structures
NASA Astrophysics Data System (ADS)
Righetti, F.; Telley, H.; Leibling, Th. M.; Mocellin, A.
2D-CELL is a software package for the processing and analyzing of photographic images of cellular structures in a largely interactive way. Starting from a binary digitized image, the programs extract the line network (skeleton) of the structure and determine the graph representation that best models it. Provision is made for manually correcting defects such as incorrect node positions or dangling bonds. Then a suitable algorithm retrieves polygonal contours which define individual cells — local boundary curvatures are neglected for simplicity. Using elementary analytical geometry relations, a range of metric and topological parameters describing the population are then computed, organized into statistical distributions and graphically displayed.
Studies of minute quantities of natural abundance molecules using 2D heteronuclear correlation spectroscopy under 100kHz MAS
Nishiyama, Y.; Kobayashi, T.; Malon, M.; Singappuli-Arachchige, D.; Slowing, I. I.; Pruski, M.
Two-dimensional 1H{13C} heteronuclear correlation solid-state NMR spectra of naturally abundant solid materials are presented, acquired using the 0.75-mm magic angle spinning (MAS) probe at spinning rates up to 100 kHz. In spite of the miniscule sample volume (290 nL), high-quality HSQC-type spectra of bulk samples as well as surface-bound molecules can be obtained within hours of experimental time. The experiments are compared with those carried out at 40 kHz MAS using a 1.6-mm probe, which offered higher overall sensitivity due to a larger rotor volume. The benefits of ultrafast MAS in such experiments include superior resolution in 1H dimension without resorting to 1H–1H homonuclear RF decoupling, easy optimization, and applicability to mass-limited samples. As a result, the HMQC spectra of surface-bound species can be also acquired under 100 kHz MAS, although the dephasing of transverse magnetization has significant effect on the efficiency transfer under MAS alone.
Studies of minute quantities of natural abundance molecules using 2D heteronuclear correlation spectroscopy under 100kHz MAS
Nishiyama, Y.; Kobayashi, T.; Malon, M.; Singappuli-Arachchige, D.; Slowing, I. I.; Pruski, M.
Two-dimensional 1H{13C} heteronuclear correlation solid-state NMR spectra of naturally abundant solid materials are presented, acquired using the 0.75-mm magic angle spinning (MAS) probe at spinning rates up to 100 kHz. In spite of the miniscule sample volume (290 nL), high-quality HSQC-type spectra of bulk samples as well as surface-bound molecules can be obtained within hours of experimental time. The experiments are compared with those carried out at 40 kHz MAS using a 1.6-mm probe, which offered higher overall sensitivity due to a larger rotor volume. The benefits of ultrafast MAS in such experiments include superior resolution in 1H dimensionmore » without resorting to 1H–1H homonuclear RF decoupling, easy optimization, and applicability to mass-limited samples. As a result, the HMQC spectra of surface-bound species can be also acquired under 100 kHz MAS, although the dephasing of transverse magnetization has significant effect on the efficiency transfer under MAS alone.« less
NASA Technical Reports Server (NTRS)
Vigue, Y.
HEAT.PRO calculates the thermal imbalance force resulting from satellite surface heating. The heated body of a satellite re-radiates energy at a rate that is proportional to its temperature, losing the energy in the form of photons. By conservation of momentum, this momentum flux out of the body creates a reaction force against the radiation surface, and the net thermal force can be observed as a small perturbation that affects long term orbital behavior of the satellite. HEAT.PRO calculates this thermal imbalance force and then determines its effects on satellite orbits, especially where the Earth's shadowing of an orbiting satellite causes periodic changes in the spacecraft's thermal environment. HEAT.PRO implements a finite element method routine called PDE2D which incorporates material properties to determine the solar panel surface temperatures. The nodal temperatures are computed at specified time steps and are used to determine the magnitude and direction of the thermal force on the spacecraft. These calculations are based on the solar panel orientation and satellite's position with respect to the earth and sun. It is necessary to have accurate, current knowledge of surface emissivity, thermal conductivity, heat capacity, and material density. These parameters, which may change due to degradation of materials in the environment of space, influence the nodal temperatures that are computed and thus the thermal force calculations. HEAT.PRO was written in FORTRAN 77 for Cray series computers running UNICOS. The source code contains directives for and is used as input to the required partial differential equation solver, PDE2D. HEAT.PRO is available on a 9-track 1600 BPI magnetic tape in UNIX tar format (standard distribution medium) or a .25 inch streaming magnetic tape cartridge in UNIX tar format. An electronic copy of the documentation in Macintosh Microsoft Word format is included on the distribution tape. HEAT.PRO was developed in 1991. Cray and UNICOS are
Comparative Variable Temperature Studies of Polyamide II with a Benchtop Fourier Transform and a Miniature Handheld Near-Infrared Spectrometer Using 2D-COS and PCMW-2D Analysis.
Unger, Miriam; Pfeifer, Frank; Siesler, Heinz W
The main objective of this communication is to compare the performance of a miniaturized handheld near-infrared (NIR) spectrometer with a benchtop Fourier transform near-infrared (FT-NIR) spectrometer. Generally, NIR spectroscopy is an extremely powerful analytical tool to study hydrogen-bonding changes of amide functionalities in solid and liquid materials and therefore variable temperature NIR measurements of polyamide II (PAII) have been selected as a case study. The information content of the measurement data has been further enhanced by exploiting the potential of two-dimensional correlation spectroscopy (2D-COS) and the perturbation correlation moving window two-dimensional (PCMW2D) evaluation technique. The data provide valuable insights not only into the changes of the hydrogen-bonding structure and the recrystallization of the hydrocarbon segments of the investigated PAII but also in their sequential order. Furthermore, it has been demonstrated that the 2D-COS and PCMW2D results derived from the spectra measured with the miniaturized NIR instrument are equivalent to the information extracted from the data obtained with the high-performance FT-NIR instrument. PMID:27287846
Correlation of CpG Island Methylation of the Cytochrome P450 2E1/2D6 Genes with Liver Injury Induced by Anti-Tuberculosis Drugs: A Nested Case-Control Study
Zhang, Jinling; Zhu, Xuebin; Li, Yuhong; Zhu, Lingyan; Li, Shiming; Zheng, Guoying; Ren, Qi; Xiao, Yonghong; Feng, Fumin
This study investigated the role of CpG island methylation of the CYP2E1 and CYP2D6 genes in liver injury induced by anti-TB drugs from an epigenetic perspective in a Chinese cohort. A 1:1 matched nested case-control study design was applied. Pulmonary tuberculosis (TB) patients, who underwent standard anti-TB therapy and developed liver injury were defined as cases, while those who did not develop liver injury were defined as control. The two groups were matched in terms of sex, treatment regimen, and age. In 114 pairs of cases, CpG island methylation levels of the CYP2E1 and CYP2D6 genes in plasma cell-free DNA were found to be significantly correlated with the occurrence of anti-TB drug-induced liver injury (ADLI), with odds ratio (OR) values of 2.429 and 3.500, respectively (p < 0.01). Moreover, through multivariate logistic regression analysis, CpG island methylation of the CYP2E1 and CYP2D6 genes in plasma cell-free DNA were found to be significantly correlated with the occurrence of ADLI, with adjusted OR values of 4.390 (95% confidence interval (CI): 1.982–9.724) and 9.193 (95% CI: 3.624–25.888), respectively (p < 0.001). These results suggest that aberrantly elevated methylation of CpG islands of the CYP2E1 and CYP2D6 genes in plasma cell-free DNA may increase the risk of ADLI in Chinese TB patients. PMID:27490558
Correlation of CpG Island Methylation of the Cytochrome P450 2E1/2D6 Genes with Liver Injury Induced by Anti-Tuberculosis Drugs: A Nested Case-Control Study.
Zhang, Jinling; Zhu, Xuebin; Li, Yuhong; Zhu, Lingyan; Li, Shiming; Zheng, Guoying; Ren, Qi; Xiao, Yonghong; Feng, Fumin
This study investigated the role of CpG island methylation of the CYP2E1 and CYP2D6 genes in liver injury induced by anti-TB drugs from an epigenetic perspective in a Chinese cohort. A 1:1 matched nested case-control study design was applied. Pulmonary tuberculosis (TB) patients, who underwent standard anti-TB therapy and developed liver injury were defined as cases, while those who did not develop liver injury were defined as control. The two groups were matched in terms of sex, treatment regimen, and age. In 114 pairs of cases, CpG island methylation levels of the CYP2E1 and CYP2D6 genes in plasma cell-free DNA were found to be significantly correlated with the occurrence of anti-TB drug-induced liver injury (ADLI), with odds ratio (OR) values of 2.429 and 3.500, respectively (p < 0.01). Moreover, through multivariate logistic regression analysis, CpG island methylation of the CYP2E1 and CYP2D6 genes in plasma cell-free DNA were found to be significantly correlated with the occurrence of ADLI, with adjusted OR values of 4.390 (95% confidence interval (CI): 1.982-9.724) and 9.193 (95% CI: 3.624-25.888), respectively (p < 0.001). These results suggest that aberrantly elevated methylation of CpG islands of the CYP2E1 and CYP2D6 genes in plasma cell-free DNA may increase the risk of ADLI in Chinese TB patients. PMID:27490558
Capturing tumor complexity in vitro: Comparative analysis of 2D and 3D tumor models for drug discovery.
Stock, Kristin; Estrada, Marta F; Vidic, Suzana; Gjerde, Kjersti; Rudisch, Albin; Santo, Vítor E; Barbier, Michaël; Blom, Sami; Arundkar, Sharath C; Selvam, Irwin; Osswald, Annika; Stein, Yan; Gruenewald, Sylvia; Brito, Catarina; van Weerden, Wytske; Rotter, Varda; Boghaert, Erwin; Oren, Moshe; Sommergruber, Wolfgang; Chong, Yolanda; de Hoogt, Ronald; Graeser, Ralph
Two-dimensional (2D) cell cultures growing on plastic do not recapitulate the three dimensional (3D) architecture and complexity of human tumors. More representative models are required for drug discovery and validation. Here, 2D culture and 3D mono- and stromal co-culture models of increasing complexity have been established and cross-comparisons made using three standard cell carcinoma lines: MCF7, LNCaP, NCI-H1437. Fluorescence-based growth curves, 3D image analysis, immunohistochemistry and treatment responses showed that end points differed according to cell type, stromal co-culture and culture format. The adaptable methodologies described here should guide the choice of appropriate simple and complex in vitro models. PMID:27364600
Capturing tumor complexity in vitro: Comparative analysis of 2D and 3D tumor models for drug discovery
Stock, Kristin; Estrada, Marta F.; Vidic, Suzana; Gjerde, Kjersti; Rudisch, Albin; Santo, Vítor E.; Barbier, Michaël; Blom, Sami; Arundkar, Sharath C.; Selvam, Irwin; Osswald, Annika; Stein, Yan; Gruenewald, Sylvia; Brito, Catarina; van Weerden, Wytske; Rotter, Varda; Boghaert, Erwin; Oren, Moshe; Sommergruber, Wolfgang; Chong, Yolanda; de Hoogt, Ronald; Graeser, Ralph
Two-dimensional (2D) cell cultures growing on plastic do not recapitulate the three dimensional (3D) architecture and complexity of human tumors. More representative models are required for drug discovery and validation. Here, 2D culture and 3D mono- and stromal co-culture models of increasing complexity have been established and cross-comparisons made using three standard cell carcinoma lines: MCF7, LNCaP, NCI-H1437. Fluorescence-based growth curves, 3D image analysis, immunohistochemistry and treatment responses showed that end points differed according to cell type, stromal co-culture and culture format. The adaptable methodologies described here should guide the choice of appropriate simple and complex in vitro models. PMID:27364600
Constant-time 2D and 3D through-bond correlation NMR spectroscopy of solids under 60 kHz MAS
NASA Astrophysics Data System (ADS)
Zhang, Rongchun; Ramamoorthy, Ayyalusamy
Establishing connectivity and proximity of nuclei is an important step in elucidating the structure and dynamics of molecules in solids using magic angle spinning (MAS) NMR spectroscopy. Although recent studies have successfully demonstrated the feasibility of proton-detected multidimensional solid-state NMR experiments under ultrafast-MAS frequencies and obtaining high-resolution spectral lines of protons, assignment of proton resonances is a major challenge. In this study, we first re-visit and demonstrate the feasibility of 2D constant-time uniform-sign cross-peak correlation (CTUC-COSY) NMR experiment on rigid solids under ultrafast-MAS conditions, where the sensitivity of the experiment is enhanced by the reduced spin-spin relaxation rate and the use of low radio-frequency power for heteronuclear decoupling during the evolution intervals of the pulse sequence. In addition, we experimentally demonstrate the performance of a proton-detected pulse sequence to obtain a 3D 1H/13C/1H chemical shift correlation spectrum by incorporating an additional cross-polarization period in the CTUC-COSY pulse sequence to enable proton chemical shift evolution and proton detection in the incrementable t1 and t3 periods, respectively. In addition to through-space and through-bond 13C/1H and 13C/13C chemical shift correlations, the 3D 1H/13C/1H experiment also provides a COSY-type 1H/1H chemical shift correlation spectrum, where only the chemical shifts of those protons, which are bonded to two neighboring carbons, are correlated. By extracting 2D F1/F3 slices (1H/1H chemical shift correlation spectrum) at different 13C chemical shift frequencies from the 3D 1H/13C/1H spectrum, resonances of proton atoms located close to a specific carbon atom can be identified. Overall, the through-bond and through-space homonuclear/heteronuclear proximities determined from the 3D 1H/13C/1H experiment would be useful to study the structure and dynamics of a variety of chemical and biological
Constant-time 2D and 3D through-bond correlation NMR spectroscopy of solids under 60 kHz MAS.
Zhang, Rongchun; Ramamoorthy, Ayyalusamy
Establishing connectivity and proximity of nuclei is an important step in elucidating the structure and dynamics of molecules in solids using magic angle spinning (MAS) NMR spectroscopy. Although recent studies have successfully demonstrated the feasibility of proton-detected multidimensional solid-state NMR experiments under ultrafast-MAS frequencies and obtaining high-resolution spectral lines of protons, assignment of proton resonances is a major challenge. In this study, we first re-visit and demonstrate the feasibility of 2D constant-time uniform-sign cross-peak correlation (CTUC-COSY) NMR experiment on rigid solids under ultrafast-MAS conditions, where the sensitivity of the experiment is enhanced by the reduced spin-spin relaxation rate and the use of low radio-frequency power for heteronuclear decoupling during the evolution intervals of the pulse sequence. In addition, we experimentally demonstrate the performance of a proton-detected pulse sequence to obtain a 3D (1)H/(13)C/(1)H chemical shift correlation spectrum by incorporating an additional cross-polarization period in the CTUC-COSY pulse sequence to enable proton chemical shift evolution and proton detection in the incrementable t1 and t3 periods, respectively. In addition to through-space and through-bond (13)C/(1)H and (13)C/(13)C chemical shift correlations, the 3D (1)H/(13)C/(1)H experiment also provides a COSY-type (1)H/(1)H chemical shift correlation spectrum, where only the chemical shifts of those protons, which are bonded to two neighboring carbons, are correlated. By extracting 2D F1/F3 slices ((1)H/(1)H chemical shift correlation spectrum) at different (13)C chemical shift frequencies from the 3D (1)H/(13)C/(1)H spectrum, resonances of proton atoms located close to a specific carbon atom can be identified. Overall, the through-bond and through-space homonuclear/heteronuclear proximities determined from the 3D (1)H/(13)C/(1)H experiment would be useful to study the structure and dynamics of
Rifaximin-mediated changes to the epithelial cell proteome: 2-D gel analysis.
Schrodt, Caroline; McHugh, Erin E; Gawinowicz, Mary Ann; Dupont, Herbert L; Brown, Eric L
Rifaximin is a semi-synthetic rifamycin derivative that is used to treat different conditions including bacterial diarrhea and hepatic encephalopathy. Rifaximin is of particular interest because it is poorly adsorbed in the intestines and has minimal effect on colonic microflora. We previously demonstrated that rifaximin affected epithelial cell physiology by altering infectivity by enteric pathogens and baseline inflammation suggesting that rifaximin conferred cytoprotection against colonization and infection. Effects of rifaximin on epithelial cells were further examined by comparing the protein expression profile of cells pretreated with rifaximin, rifampin (control antibiotic), or media (untreated). Two-dimensional (2-D) gel electrophoresis identified 36 protein spots that were up- or down-regulated by over 1.7-fold in rifaximin treated cells compared to controls. 15 of these spots were down-regulated, including annexin A5, intestinal-type alkaline phosphatase, histone H4, and histone-binding protein RbbP4. 21 spots were up-regulated, including heat shock protein (HSP) 90α and fascin. Many of the identified proteins are associated with cell structure and cytoskeleton, transcription and translation, and cellular metabolism. These data suggested that in addition to its antimicrobial properties, rifaximin may alter host cell physiology that provides cytoprotective effects against bacterial pathogens. PMID:23922656
Rifaximin-Mediated Changes to the Epithelial Cell Proteome: 2-D Gel Analysis
Schrodt, Caroline; McHugh, Erin E.; Gawinowicz, Mary Ann; DuPont, Herbert L.; Brown, Eric L.
Rifaximin is a semi-synthetic rifamycin derivative that is used to treat different conditions including bacterial diarrhea and hepatic encephalopathy. Rifaximin is of particular interest because it is poorly adsorbed in the intestines and has minimal effect on colonic microflora. We previously demonstrated that rifaximin affected epithelial cell physiology by altering infectivity by enteric pathogens and baseline inflammation suggesting that rifaximin conferred cytoprotection against colonization and infection. Effects of rifaximin on epithelial cells were further examined by comparing the protein expression profile of cells pretreated with rifaximin, rifampin (control antibiotic), or media (untreated). Two-dimensional (2-D) gel electrophoresis identified 36 protein spots that were up- or down-regulated by over 1.7-fold in rifaximin treated cells compared to controls. 15 of these spots were down-regulated, including annexin A5, intestinal-type alkaline phosphatase, histone H4, and histone-binding protein RbbP4. 21 spots were up-regulated, including heat shock protein (HSP) 90α and fascin. Many of the identified proteins are associated with cell structure and cytoskeleton, transcription and translation, and cellular metabolism. These data suggested that in addition to its antimicrobial properties, rifaximin may alter host cell physiology that provides cytoprotective effects against bacterial pathogens. PMID:23922656
2D CFD Analysis of an Airfoil with Active Continuous Trailing Edge Flap
NASA Astrophysics Data System (ADS)
Jaksich, Dylan; Shen, Jinwei
Efficient and quieter helicopter rotors can be achieved through on-blade control devices, such as active Continuous Trailing-Edge Flaps driven by embedded piezoelectric material. This project aims to develop a CFD simulation tool to predict the aerodynamic characteristics of an airfoil with CTEF using open source code: OpenFOAM. Airfoil meshes used by OpenFOAM are obtained with MATLAB scripts. Once created it is possible to rotate the airfoil to various angles of attack. When the airfoil is properly set up various OpenFOAM properties, such as kinematic viscosity and flow velocity, are altered to achieve the desired testing conditions. Upon completion of a simulation, the program gives the lift, drag, and moment coefficients as well as the pressure and velocity around the airfoil. The simulation is then repeated across multiple angles of attack to give full lift and drag curves. The results are then compared to previous test data and other CFD predictions. This research will lead to further work involving quasi-steady 2D simulations incorporating NASTRAN to model aeroelastic deformation and eventually to 3D aeroelastic simulations. NSF ECE Grant #1358991 supported the first author as an REU student.
Visual Analysis of time-dependent 2D Uncertainties in Decadal Climate Predictions
NASA Astrophysics Data System (ADS)
Böttinger, Michael; Röber, Niklas; Meier-Fleischer, Karin; Pohlmann, Holger
Climate prediction systems used today for investigating the climate predictability on a decadal time scale are based on coupled global climate models. First, ensembles of hindcast experiments are carried out in order to derive the predictive skill of the prediction system. Then, in a second step, the prediction system is initialized with observations and actual future predictions are computed. The ensemble simulation techniques applied enable issuing of probabilistic information along with the quantities predicted. Different aspects of the uncertainty can be derived: The ensemble standard deviation (or ensemble spread) is a measure for the internal variability of the simulation, while the predictive skill is an inverse measure for the uncertainty in the prediction. In this work, we focus on the concurrent visualization of three related time-dependent 2D fields: the forecast variable itself, here the 2m temperature anomaly, along with the corresponding predictive skill and the ensemble spread which is given through the ensemble standard deviation. On the basis of temporally filtered data, animations are used to visualize the mean spatio-temporal development of the three quantities. Furthermore, seasonal analyses are similarly visualized in order to identify seasonal patterns. We show exemplary solutions produced with three different visualization systems: NCL, Avizo Green and ParaView. As example data set, we have used a decadal climate prediction carried out within the German research project "MiKlip - Decadal Predictions" using the MPI-M Earth System Model (MPI-ESM) from the Max Planck Institute for Meteorology in Hamburg.
APOE genotype and age modifies the correlation between cognitive status and metabolites from hippocampus by a 2D 1H-MRS in non-demented elders
Liu, Renyuan; Liang, Xue; Yu, Tingting; Chen, Xiaoling; Feng, Jie; Guo, Aibin; Xie, Yu; Yang, Haiyan; Huang, Mingmin; Tian, Chuanshuai
Purpose. To examine the associations among age, Apolipoprotein E (APOE) genotype, metabolic changes in the hippocampus detected by 2D 1H magnetic resonance spectroscopy (MRS), and neuropsychological measures of cognition in non-demented elders. Materials and Methods. We studied a cohort of 16 cognitively normal controls (CN) and 11 amnestic mild cognitive impairment (aMCI) patients between 66 and 88 years old who were genotyped for APOE genetic polymorphism. Measurements of 2D1H-MRS metabolites were obtained in the hippocampus region. Adjusting by age among all subjects, the association between metabolic changes and cognitive function was measured by Spearman partial rank-order correlation. The effect of APOE status was measured by separating the subjects into APOE genotype subgroups, including the APOEε4 carriers and APOEε4 non-carriers. Results. In contrast to the CN group matched with age, gender, and education, aMCI patients showed increased myo-inositol (mI)/Creatine (Cr) ratio only in the right hippocampus. No differences were noted on N-acetylaspartate (NAA)/Cr and mI/NAA from bilateral hippocampus, and so was mI/Cr ratio in left hippocampus between aMCI and CN. The mI/Cr ratio from the right hippocampus in non-demented elders was negatively correlated with Montreal Cognitive Assessment (MoCA) scores. Whether ε4 genotype or age was added as a covariate, none of the correlation effects remained significant. Additionally, adjusting for age and APOE genotype together, there was no significant correlation between them. Conclusion. Since the higher mI/Cr from the right hippocampus of the patients with aMCI than those from CN, the mI/Cr could be a more specific predictor of general cognitive function in aMCI patients. There is an association between higher mI/Cr in right hippocampus and worse cognitive function for the non-demented older adults, and the correlation could be modified by APOE status and age. That provided a window on objectively understanding the
Three-dimensional (3D) microarchitecture correlations with 2D projection image gray-level variations assessed by trabecular bone score using high-resolution computed tomographic acquisitions: effects of resolution and noise.
Winzenrieth, Renaud; Michelet, Franck; Hans, Didier
The aim of the present study is to determine the level of correlation between the 3-dimensional (3D) characteristics of trabecular bone microarchitecture, as evaluated using microcomputed tomography (μCT) reconstruction, and trabecular bone score (TBS), as evaluated using 2D projection images directly derived from 3D μCT reconstruction (TBSμCT). Moreover, we have evaluated the effects of image degradation (resolution and noise) and X-ray energy of projection on these correlations. Thirty human cadaveric vertebrae were acquired on a microscanner at an isotropic resolution of 93 μm. The 3D microarchitecture parameters were obtained using MicroView (GE Healthcare, Wauwatosa, MI). The 2D projections of these 3D models were generated using the Beer-Lambert law at different X-ray energies. Degradation of image resolution was simulated (from 93 to 1488 μm). Relationships between 3D microarchitecture parameters and TBSμCT at different resolutions were evaluated using linear regression analysis. Significant correlations were observed between TBSμCT and 3D microarchitecture parameters, regardless of the resolution. Correlations were detected that were strongly to intermediately positive for connectivity density (0.711 ≤ r² ≤ 0.752) and trabecular number (0.584 ≤ r² ≤ 0.648) and negative for trabecular space (-0.407 ≤ r² ≤ -0.491), up to a pixel size of 1023 μm. In addition, TBSμCT values were strongly correlated between each other (0.77 ≤ r² ≤ 0.96). Study results show that the correlations between TBSμCT at 93 μm and 3D microarchitecture parameters are weakly impacted by the degradation of image resolution and the presence of noise. PMID:22749406
Reaction of O2(+)(X 2Pi sub g) with H2, D2, and HD - Guided ion beam studies, MO correlations, and statistical theory calculations
NASA Technical Reports Server (NTRS)
Weber, M. E.; Dalleska, N. F.; Tjelta, B. L.; Fisher, E. R.; Armentrout, P. B.
Guided ion-beam mass spectrometry is used to examined the reactions of vibrationally cold ground-state O2(+)(X 2Pi sub g) with H2, D2, and HD. The energy dependence of the absolute integral cross sections from thermal energy to over 4 eV are measured in the center-of-mass frame of reference. Results are also presented for internally excited O2(+) ions reacting with D2 and HD. The results are consistent with the dominant state being the a 4Pi sub u electronic state. The experimental excitation functions are analyzed in detail and interpreted by extending the molecular orbital correlation arguments of Mahan (1971) and by comparison with results of statistical phase space theory and with a theory that predicts a tight transition state.
Simulation and analysis of solute transport in 2D fracture/pipe networks: The SOLFRAC program
NASA Astrophysics Data System (ADS)
Bodin, Jacques; Porel, Gilles; Delay, Fred; Ubertosi, Fabrice; Bernard, Stéphane; de Dreuzy, Jean-Raynald
The Time Domain Random Walk (TDRW) method has been recently developed by Delay and Bodin [Delay, F. and Bodin, J., 2001. Time domain random walk method to simulate transport by advection-dispersion and matrix diffusion in fracture networks. Geophys. Res. Lett., 28(21): 4051-4054.] and Bodin et al. [Bodin, J., Porel, G. and Delay, F., 2003c. Simulation of solute transport in discrete fracture networks using the time domain random walk method. Earth Planet. Sci. Lett., 6566: 1-8.] for simulating solute transport in discrete fracture networks. It is assumed that the fracture network can reasonably be represented by a network of interconnected one-dimensional pipes (i.e. flow channels). Processes accounted for are: (1) advection and hydrodynamic dispersion in the channels, (2) matrix diffusion, (3) diffusion into stagnant zones within the fracture planes, (4) sorption reactions onto the fracture walls and in the matrix, (5) linear decay, and (6) mass sharing at fracture intersections. The TDRW method is handy and very efficient in terms of computation costs since it allows for the one-step calculation of the particle residence time in each bond of the network. This method has been programmed in C++, and efforts have been made to develop an efficient and user-friendly software, called SOLFRAC. This program is freely downloadable at the URL http://labo.univ-poitiers.fr/hydrasa/intranet/telechargement.htm. It calculates solute transport into 2D pipe networks, while considering different types of injections and different concepts of local dispersion within each flow channel. Post-simulation analyses are also available, such as the mean velocity or the macroscopic dispersion at the scale of the entire network. The program may be used to evaluate how a given transport mechanism influences the macroscopic transport behaviour of fracture networks. It may also be used, as is the case, e.g., with analytical solutions, to interpret laboratory or field tracer test experiments
Analysis of the dose calculation accuracy for IMRT in lung: a 2D approach.
Dvorak, Pavel; Stock, Markus; Kroupa, Bernhard; Bogner, Joachim; Georg, Dietmar
The purpose of this study was to compare the dosimetric accuracy of IMRT plans for targets in lung with the accuracy of standard uniform-intensity conformal radiotherapy for different dose calculation algorithms. Tests were performed utilizing a special phantom manufactured from cork and polystyrene in order to quantify the uncertainty of two commercial TPS for IMRT in the lung. Ionization and film measurements were performed at various measuring points/planes. Additionally, single-beam and uniform-intensity multiple-beam tests were performed, in order to investigate deviations due to other characteristics of IMRT. Helax-TMS V6.1(A) was tested for 6, 10 and 25 MV and BrainSCAN 5.2 for 6 MV photon beams, respectively. Pencil beam (PB) with simple inhomogeneity correction and 'collapsed cone' (CC) algorithms were applied for dose calculations. However, the latter was not incorporated during optimization hence only post-optimization recalculation was tested. Two-dimensional dose distributions were evaluated applying the gamma index concept. Conformal plans showed the same accuracy as IMRT plans. Ionization chamber measurements detected deviations of up to 5% when a PB algorithm was used for IMRT dose calculations. Significant improvement (deviations approximately 2%) was observed when IMRT plans were recalculated with the CC algorithm, especially for the highest nominal energy. All gamma evaluations confirmed substantial improvement with the CC algorithm in 2D. While PB dose distributions showed most discrepancies in lower (<50%) and high (>90%) dose regions, the CC dose distributions deviated mainly in the high dose gradient (20-80%) region. The advantages of IMRT (conformity, intra-target dose control) should be counterbalanced with possible calculation inaccuracies for targets in the lung. Until no superior dose calculation algorithms are involved in the iterative optimization process it should be used with great care. When only PB algorithm with simple
Combined analysis of C-18 unsaturated fatty acids using natural abundance deuterium 2D NMR spectroscopy in chiral oriented solvents.
Lesot, Philippe; Baillif, Vincent; Billault, Isabelle
The quantitative determination of isotopic (2H/1H)i ratios at natural abundance using the SNIF-NMR protocol is a well-known method for understanding the enzymatic biosynthesis of metabolites. However, this approach is not always successful for analyzing large solutes and, specifically, is inadequate for prochiral molecules such as complete essential unsaturated fatty acids. To overcome these analytical limitations, we use the natural abundance deuterium 2D NMR (NAD 2D NMR) spectroscopy on solutes embedded in polypeptide chiral liquid crystals. This approach, recently explored for measuring (2H/1H)i ratios of small analytes (Lesot, P.; Aroulanda, C.; Billault, I. Anal. Chem. 2004, 76, 2827-2835), is a powerful way to separate the 2H signals of all nonequivalent enantioisotopomers on the basis both of the 2H quadrupolar interactions and of the 2H chemical shift. Two significant advances over our previous work are presented here and allow the complete isotopic analysis of four mono- and polyunsaturated fatty acid methyl esters: methyl oleate (1), methyl linoleate (2), methyl linolenate (3), and methyl vernoleate (4). The first consists of using NMR spectrometers operating at higher magnetic field strength (14.1 T) and equipped with a selective cryoprobe optimized for deuterium nuclei. The second is the development of Q-COSY Fz 2D NMR experiments able to produce phased 2H 2D maps after a double Fourier transformation. This combination of modern hardware and efficient NMR sequences provides a unique tool to analyze the (2H/1H)i ratios of large prochiral molecules (C-18) dissolved in organic solutions of poly(gamma-benzyl-L-glutamate) and requires smaller amounts of solute than previous study on fatty acids. For each compound (1-4), all 2H quadrupolar doublets visible in the 2D spectra have been assigned on the basis of 2H chemical shifts, isotopic data obtained from isotropic quantitative NAD NMR, and by an interspectral comparison of the anisotropic NAD spectra of four
Application of 2D-HPLC/taste dilution analysis on taste compounds in aniseed (Pimpinella anisum L.).
Pickrahn, Stephen; Sebald, Karin; Hofmann, Thomas
This is the first application of fully automated, preparative, two-dimensional HPLC combined with sensory analysis for taste compound discovery using a sweet and licorice-like bitter-tasting aniseed extract as an example. Compared to the traditional iterative fractionation of food extracts by sensory-guided sequential application of separation techniques, the fully automated 2D-HPLC allowed the comprehensive separation of the aniseed extract into 256 subfractions and reduced the fractionation time from about 1 week to <1day. Using a smart sensory strategy to locate high-impact fractions, e.g., by evaluating first-dimension fractions by reconstituting them from second-dimension subfractions, followed by straightforward application of the taste dilution analysis on the individual second-dimension subfractions revealed the sweet-tasting trans-anethole and the bitter-tasting trans-pseudoisoeugenol 2-methylbutyrate, showing recognition thresholds of 70 and 68 μmol/L, respectively, as the primary orosensory active compounds in aniseed. 2D-HPLC combined with smart sensory analysis seems to be a promising strategy to speed the discovery of the key players imparting the attractive taste of foods. PMID:25186288
Multichannel response analysis on 2D projection views for detection of clustered microcalcifications in digital breast tomosynthesis
Wei, Jun Chan, Heang-Ping; Hadjiiski, Lubomir M.; Helvie, Mark A.; Lu, Yao; Zhou, Chuan; Samala, Ravi
Purpose: To investigate the feasibility of a new two-dimensional (2D) multichannel response (MCR) analysis approach for the detection of clustered microcalcifications (MCs) in digital breast tomosynthesis (DBT). Methods: With IRB approval and informed consent, a data set of two-view DBTs from 42 breasts containing biopsy-proven MC clusters was collected in this study. The authors developed a 2D approach for MC detection using projection view (PV) images rather than the reconstructed three-dimensional (3D) DBT volume. Signal-to-noise ratio (SNR) enhancement processing was first applied to each PV to enhance the potential MCs. The locations of MC candidates were then identified with iterative thresholding. The individual MCs were decomposed with Hermite–Gaussian (HG) and Laguerre–Gaussian (LG) basis functions and the channelized Hotelling model was trained to produce the MCRs for each MC on the 2D images. The MCRs from the PVs were fused in 3D by a coincidence counting method that backprojects the MC candidates on the PVs and traces the coincidence of their ray paths in 3D. The 3D MCR was used to differentiate the true MCs from false positives (FPs). Finally a dynamic clustering method was used to identify the potential MC clusters in the DBT volume based on the fact that true MCs of clinical significance appear in clusters. Using two-fold cross validation, the performance of the 3D MCR for classification of true and false MCs was estimated by the area under the receiver operating characteristic (ROC) curve and the overall performance of the MCR approach for detection of clustered MCs was assessed by free response receiver operating characteristic (FROC) analysis. Results: When the HG basis function was used for MCR analysis, the detection of MC cluster achieved case-based test sensitivities of 80% and 90% at the average FP rates of 0.65 and 1.55 FPs per DBT volume, respectively. With LG basis function, the average FP rates were 0.62 and 1.57 per DBT volume at
Investigation of solid electrolyte interface (SEI) film on LiCoO2 cathode in fluoroethylene carbonate (FEC)-containing electrolyte by 2D correlation X-ray photoelectron spectroscopy (XPS)
NASA Astrophysics Data System (ADS)
Park, Yeonju; Shin, Su Hyun; Hwang, Hoon; Lee, Sung Man; Kim, Sung Phil; Choi, Hyun Chul; Jung, Young Mee
The effects of fluoroethylene carbonate (FEC) on the electrochemical performance of the LiCoO2 cathode were investigated by galvanostatic charge-discharge testing and cyclic voltammetry (CV). It was found that FEC has a positive effect on cycling stability and also improves cell performance. We also studied solid electrolyte interface (SEI) film on the LiCoO2 cathode, using X-ray photoelectron spectroscopy (XPS) and 2D correlation spectroscopy. The 2D correlation XPS spectra showed that, initially, the polyvinylidene fluoride (PVdF) binder and electrolyte components are decomposed, after which SEI components are formed on the LiCoO2 cathode surface. In the FEC-containing electrolyte, the polycarbonate components are more abundant than in the FEC-free electrolyte. The formed carbonates in SEI film can act as Li+-conducting materials in reducing the electrode/electrolyte interfacial impedance. This hypothesis is supported by the results of an electrochemical impedance spectrum (EIS) analysis.
Analysis of amorphous solid dispersions using 2D solid-state NMR and (1)H T(1) relaxation measurements.
Pham, Tran N; Watson, Simon A; Edwards, Andrew J; Chavda, Manisha; Clawson, Jacalyn S; Strohmeier, Mark; Vogt, Frederick G
Solid-state NMR (SSNMR) can provide detailed structural information about amorphous solid dispersions of pharmaceutical small molecules. In this study, the ability of SSNMR experiments based on dipolar correlation, spin diffusion, and relaxation measurements to characterize the structure of solid dispersions is explored. Observation of spin diffusion effects using the 2D (1)H-(13)C cross-polarization heteronuclear correlation (CP-HETCOR) experiment is shown to be a useful probe of association between the amorphous drug and polymer that is capable of directly proving glass solution formation. Dispersions of acetaminophen and indomethacin in different polymers are examined using this approach, as well as (1)H double-quantum correlation experiments to probe additional structural features. (1)H-(19)F CP-HETCOR serves a similar role for fluorinated drug molecules such as diflunisal in dispersions, providing a rapid means to prove the formation of a glass solution. Phase separation is detected using (13)C, (19)F, and (23)Na-detected (1)H T(1) experiments in crystalline and amorphous solid dispersions that contain small domains. (1)H T(1) measurements of amorphous nanosuspensions of trehalose and dextran illustrate the ability of SSNMR to detect domain size effects in dispersions that are not glass solutions via spin diffusion effects. Two previously unreported amorphous solid dispersions involving up to three components and containing voriconazole and telithromycin are analyzed using these experiments to demonstrate the general applicability of the approach. PMID:20681586
A 2-D oscillating flow analysis in Stirling engine heat exchangers
NASA Technical Reports Server (NTRS)
Ahn, Kyung H.; Ibrahim, Mounir B.
A two-dimensional oscillating flow analysis was conducted, simulating the gas flow inside Stirling heat exchangers. Both laminar and turbulent oscillating pipe flow were investigated numerically for Re(max) = 1920 (Va = 80), 10800 (Va = 272), 19300 (Va = 272), and 60800 (Va = 126). The results are compared with experimental results of previous investigators. Also, predictions of the flow regime on present oscillating flow conditions were checked by comparing velocity amplitudes and phase differences with those from laminar theory and quasi-steady profile. A high Reynolds number k-epsilon turbulence model was used for turbulent oscillating pipe flow. Finally, performance evaluation of the K-epsilon model was made to explore the applicability of quasi-steady turbulent models to unsteady oscillating flow analysis.
A 2-D oscillating flow analysis in Stirling engine heat exchangers
NASA Technical Reports Server (NTRS)
Ahn, Kyung H.; Ibrahim, Mounir B.
A two dimensional oscillating flow analysis was conducted, simulating the gas flow inside Stirling heat exchangers. Both laminar and turbulent oscillating pipe flow were investigated numerically for Re(max) = 1920 (Va = 80), 10800 (Va = 272), 19300 (Va = 272), and 60800 (Va = 126). The results are compared with experimental results of previous investigators. Also, predictions of the flow regime on present oscillating flow conditions were checked by comparing velocity amplitudes and phase differences with those from laminar theory and quasi-steady profile. A high Reynolds number k-epsilon turbulence model was used for turbulent oscillating pipe flow. Finally, performance evaluation of the K-epsilon model was made to explore the applicability of quasi-steady turbulent models to unsteady oscillating flow analysis.
A wideband FMBEM for 2D acoustic design sensitivity analysis based on direct differentiation method
NASA Astrophysics Data System (ADS)
Chen, Leilei; Zheng, Changjun; Chen, Haibo
This paper presents a wideband fast multipole boundary element method (FMBEM) for two dimensional acoustic design sensitivity analysis based on the direct differentiation method. The wideband fast multipole method (FMM) formed by combining the original FMM and the diagonal form FMM is used to accelerate the matrix-vector products in the boundary element analysis. The Burton-Miller formulation is used to overcome the fictitious frequency problem when using a single Helmholtz boundary integral equation for exterior boundary-value problems. The strongly singular and hypersingular integrals in the sensitivity equations can be evaluated explicitly and directly by using the piecewise constant discretization. The iterative solver GMRES is applied to accelerate the solution of the linear system of equations. A set of optimal parameters for the wideband FMBEM design sensitivity analysis are obtained by observing the performances of the wideband FMM algorithm in terms of computing time and memory usage. Numerical examples are presented to demonstrate the efficiency and validity of the proposed algorithm.
Feasibility of radial and circumferential strain analysis using 2D speckle tracking echocardiography in cats.
Takano, Hiroshi; Isogai, Tomomi; Aoki, Takuma; Wakao, Yoshito; Fujii, Yoko
The purpose of the present study is to investigate the feasibility of strain analysis using speckle tracking echocardiography (STE) in cats and to evaluate STE variables in cats with hypertrophic cardiomyopathy (HCM). Sixteen clinically healthy cats and 17 cats with HCM were used. Radial and circumferential strain and strain rate variables in healthy cats were measured using STE to assess the feasibility. Comparisons of global strain and strain variables between healthy cats and cats with HCM were performed. Segmental assessments of left ventricle (LV) wall for strain and strain rate variables in cats with HCM were also performed. As a result, technically adequate images were obtained in 97.6% of the segments for STE analysis. Sedation using buprenorphine and acepromazine did not affect any global strain nor strain rate variable. In LV segments of cats with HCM, reduced segmental radial strain and strain rate variables had significantly related with segmental LV hypertrophy. It is concluded that STE analysis using short axis images of LV appeared to be clinically feasible in cats, having the possibility to be useful for detecting myocardial dysfunctions in cats with diseased heart. PMID:25373881
Analysis of simple 2-D and 3-D metal structures subjected to fragment impact
NASA Technical Reports Server (NTRS)
Witmer, E. A.; Stagliano, T. R.; Spilker, R. L.; Rodal, J. J. A.
Theoretical methods were developed for predicting the large-deflection elastic-plastic transient structural responses of metal containment or deflector (C/D) structures to cope with rotor burst fragment impact attack. For two-dimensional C/D structures both, finite element and finite difference analysis methods were employed to analyze structural response produced by either prescribed transient loads or fragment impact. For the latter category, two time-wise step-by-step analysis procedures were devised to predict the structural responses resulting from a succession of fragment impacts: the collision force method (CFM) which utilizes an approximate prediction of the force applied to the attacked structure during fragment impact, and the collision imparted velocity method (CIVM) in which the impact-induced velocity increment acquired by a region of the impacted structure near the impact point is computed. The merits and limitations of these approaches are discussed. For the analysis of 3-d responses of C/D structures, only the CIVM approach was investigated.
Feasibility of radial and circumferential strain analysis using 2D speckle tracking echocardiography in cats
TAKANO, Hiroshi; ISOGAI, Tomomi; AOKI, Takuma; WAKAO, Yoshito; FUJII, Yoko
The purpose of the present study is to investigate the feasibility of strain analysis using speckle tracking echocardiography (STE) in cats and to evaluate STE variables in cats with hypertrophic cardiomyopathy (HCM). Sixteen clinically healthy cats and 17 cats with HCM were used. Radial and circumferential strain and strain rate variables in healthy cats were measured using STE to assess the feasibility. Comparisons of global strain and strain variables between healthy cats and cats with HCM were performed. Segmental assessments of left ventricle (LV) wall for strain and strain rate variables in cats with HCM were also performed. As a result, technically adequate images were obtained in 97.6% of the segments for STE analysis. Sedation using buprenorphine and acepromazine did not affect any global strain nor strain rate variable. In LV segments of cats with HCM, reduced segmental radial strain and strain rate variables had significantly related with segmental LV hypertrophy. It is concluded that STE analysis using short axis images of LV appeared to be clinically feasible in cats, having the possibility to be useful for detecting myocardial dysfunctions in cats with diseased heart. PMID:25373881
Coupled 2D-3D finite element method for analysis of a skin panel with a discontinuous stiffener
NASA Technical Reports Server (NTRS)
Wang, J. T.; Lotts, C. G.; Davis, D. D., Jr.; Krishnamurthy, T.
This paper describes a computationally efficient analysis method which was used to predict detailed stress states in a typical composite compression panel with a discontinuous hat stiffener. A global-local approach was used. The global model incorporated both 2D shell and 3D brick elements connected by newly developed transition elements. Most of the panel was modeled with 2D elements, while 3D elements were employed to model the stiffener flange and the adjacent skin. Both linear and geometrically nonlinear analyses were performed on the global model. The effect of geometric nonlinearity induced by the eccentric load path due to the discontinuous hat stiffener was significant. The local model used a fine mesh of 3D brick elements to model the region at the end of the stiffener. Boundary conditions of the local 3D model were obtained by spline interpolation of the nodal displacements from the global analysis. Detailed in-plane and through-the-thickness stresses were calculated in the flange-skin interface near the end of the stiffener.
An Asymptotic Analysis of a 2-D Model of Dynamically Active Compartments Coupled by Bulk Diffusion
NASA Astrophysics Data System (ADS)
Gou, J.; Ward, M. J.
A class of coupled cell-bulk ODE-PDE models is formulated and analyzed in a two-dimensional domain, which is relevant to studying quorum-sensing behavior on thin substrates. In this model, spatially segregated dynamically active signaling cells of a common small radius ɛ ≪ 1 are coupled through a passive bulk diffusion field. For this coupled system, the method of matched asymptotic expansions is used to construct steady-state solutions and to formulate a spectral problem that characterizes the linear stability properties of the steady-state solutions, with the aim of predicting whether temporal oscillations can be triggered by the cell-bulk coupling. Phase diagrams in parameter space where such collective oscillations can occur, as obtained from our linear stability analysis, are illustrated for two specific choices of the intracellular kinetics. In the limit of very large bulk diffusion, it is shown that solutions to the ODE-PDE cell-bulk system can be approximated by a finite-dimensional dynamical system. This limiting system is studied both analytically, using a linear stability analysis and, globally, using numerical bifurcation software. For one illustrative example of the theory, it is shown that when the number of cells exceeds some critical number, i.e., when a quorum is attained, the passive bulk diffusion field can trigger oscillations through a Hopf bifurcation that would otherwise not occur without the coupling. Moreover, for two specific models for the intracellular dynamics, we show that there are rather wide regions in parameter space where these triggered oscillations are synchronous in nature. Unless the bulk diffusivity is asymptotically large, it is shown that a diffusion-sensing behavior is possible whereby more clustered spatial configurations of cells inside the domain lead to larger regions in parameter space where synchronous collective oscillations between the small cells can occur. Finally, the linear stability analysis for these cell
An Asymptotic Analysis of a 2-D Model of Dynamically Active Compartments Coupled by Bulk Diffusion
NASA Astrophysics Data System (ADS)
Gou, J.; Ward, M. J.
A class of coupled cell-bulk ODE-PDE models is formulated and analyzed in a two-dimensional domain, which is relevant to studying quorum-sensing behavior on thin substrates. In this model, spatially segregated dynamically active signaling cells of a common small radius ɛ ≪ 1 are coupled through a passive bulk diffusion field. For this coupled system, the method of matched asymptotic expansions is used to construct steady-state solutions and to formulate a spectral problem that characterizes the linear stability properties of the steady-state solutions, with the aim of predicting whether temporal oscillations can be triggered by the cell-bulk coupling. Phase diagrams in parameter space where such collective oscillations can occur, as obtained from our linear stability analysis, are illustrated for two specific choices of the intracellular kinetics. In the limit of very large bulk diffusion, it is shown that solutions to the ODE-PDE cell-bulk system can be approximated by a finite-dimensional dynamical system. This limiting system is studied both analytically, using a linear stability analysis and, globally, using numerical bifurcation software. For one illustrative example of the theory, it is shown that when the number of cells exceeds some critical number, i.e., when a quorum is attained, the passive bulk diffusion field can trigger oscillations through a Hopf bifurcation that would otherwise not occur without the coupling. Moreover, for two specific models for the intracellular dynamics, we show that there are rather wide regions in parameter space where these triggered oscillations are synchronous in nature. Unless the bulk diffusivity is asymptotically large, it is shown that a diffusion-sensing behavior is possible whereby more clustered spatial configurations of cells inside the domain lead to larger regions in parameter space where synchronous collective oscillations between the small cells can occur. Finally, the linear stability analysis for these cell
Multi-level model for 2D human motion analysis and description
NASA Astrophysics Data System (ADS)
Foures, Thomas; Joly, Philippe
This paper deals with the proposition of a model for human motion analysis in a video. Its main caracteristic is to adapt itself automatically to the current resolution, the actual quality of the picture, or the level of precision required by a given application, due to its possible decomposition into several hierarchical levels. The model is region-based to address some analysis processing needs. The top level of the model is only defined with 5 ribbons, which can be cut into sub-ribbons regarding to a given (or an expected) level of details. Matching process between model and current picture consists in the comparison of extracted subject shape with a graphical rendering of the model built on the base of some computed parameters. The comparison is processed by using a chamfer matching algorithm. In our developments, we intend to realize a platform of interaction between a dancer and tools synthetizing abstract motion pictures and music in the conditions of a real-time dialogue between a human and a computer. In consequence, we use this model in a perspective of motion description instead of motion recognition: no a priori gestures are supposed to be recognized as far as no a priori application is specially targeted. The resulting description will be made following a Description Scheme compliant with the movement notation called "Labanotation".
Multiscale quantification of morphodynamics: MorphoLeaf software for 2D shape analysis.
Biot, Eric; Cortizo, Millán; Burguet, Jasmine; Kiss, Annamaria; Oughou, Mohamed; Maugarny-Calès, Aude; Gonçalves, Beatriz; Adroher, Bernard; Andrey, Philippe; Boudaoud, Arezki; Laufs, Patrick
A major challenge in morphometrics is to analyse complex biological shapes formed by structures at different scales. Leaves exemplify this challenge as they combine differences in their overall shape with smaller shape variations at their margin, leading to lobes or teeth. Current methods based on contour or on landmark analysis are successful in quantifying either overall leaf shape or leaf margin dissection, but fail in combining the two. Here, we present a comprehensive strategy and its associated freely available platform for the quantitative, multiscale analysis of the morphology of leaves with different architectures. For this, biologically relevant landmarks are automatically extracted and hierarchised, and used to guide the reconstruction of accurate average contours that properly represent both global and local features. Using this method, we establish a quantitative framework of the developmental trajectory of Arabidopsis leaves of different ranks and retrace the origin of leaf heteroblasty. When applied to different mutant forms, our method can contribute to a better understanding of gene function, as we show here for the role of CUC2 during Arabidopsis leaf serration. Finally, we illustrate the wider applicability of our tool by analysing hand morphometrics. PMID:27387872
Heterogeneity of Particle Deposition by Pixel Analysis of 2D Gamma Scintigraphy Images
Xie, Miao; Zeman, Kirby; Hurd, Harry; Donaldson, Scott
Abstract Background: Heterogeneity of inhaled particle deposition in airways disease may be a sensitive indicator of physiologic changes in the lungs. Using planar gamma scintigraphy, we developed new methods to locate and quantify regions of high (hot) and low (cold) particle deposition in the lungs. Methods: Initial deposition and 24 hour retention images were obtained from healthy (n=31) adult subjects and patients with mild cystic fibrosis lung disease (CF) (n=14) following inhalation of radiolabeled particles (Tc99m-sulfur colloid, 5.4 μm MMAD) under controlled breathing conditions. The initial deposition image of the right lung was normalized to (i.e., same median pixel value), and then divided by, a transmission (Tc99m) image in the same individual to obtain a pixel-by-pixel ratio image. Hot spots were defined where pixel values in the deposition image were greater than 2X those of the transmission, and cold spots as pixels where the deposition image was less than 0.5X of the transmission. The number ratio (NR) of the hot and cold pixels to total lung pixels, and the sum ratio (SR) of total counts in hot pixels to total lung counts were compared between healthy and CF subjects. Other traditional measures of regional particle deposition, nC/P and skew of the pixel count histogram distribution, were also compared. Results: The NR of cold spots was greater in mild CF, 0.221±0.047(CF) vs. 0.186±0.038 (healthy) (p<0.005) and was significantly correlated with FEV1 %pred in the patients (R=−0.70). nC/P (central to peripheral count ratio), skew of the count histogram, and hot NR or SR were not different between the healthy and mild CF patients. Conclusions: These methods may provide more sensitive measures of airway function and localization of deposition that might be useful for assessing treatment efficacy in these patients. PMID:25393109
2-D Time-Dependent Fuel Element, Thermal Analysis Code System.
Energy Science and Technology Software Center (ESTSC)
Version 00 WREM-TOODEE2 is a two dimensional, time-dependent, fuel-element thermal analysis program. Its primary purpose is to evaluate fuel-element thermal response during post-LOCA refill and reflood in a pressurized water reactor (PWR). TOODEE2 calculations are carried out in a two-dimensional mesh region defined in slab or cylindrical geometry by orthogonal grid lines. Coordinates which form order pairs are labeled x-y in slab geometry, and those in cylindrical geometry are labeled r-z for the axisymmetric casemore » and r-theta for the polar case. Conduction and radiation are the only heat transfer mechanisms assumed within the boundaries of the mesh region. Convective and boiling heat transfer mechanisms are assumed at the boundaries. The program numerically solves the two-dimensional, time-dependent, heat conduction equation within the mesh region. KEYWORDS: FUEL MANAGEMENT; HEAT TRANSFER; LOCA; PWR« less
D.J. Skulina
This analysis is prepared by the Mined Geologic Disposal System (MGDS) Waste Package Development Department (WPDD) to determine the dose rates from the UCF waste packages to be used by the EBS and other repository systems to incorporate ALARA practices in the overall repository design in compliance with the goals of the Waste Package Implementation Plan for conceptual design. These design calculations are performed in sufficient detail to provide a comprehensive comparison base with other design alternatives. The objectives of this evaluation are (1) to show the dose rate as a function of distance from the waste package surface and (2) to provide the shielding thicknesses required for the waste package transporter to meet a 10 mr/hr target dose rate at 2 meters from the transporter surface.
High pH reversed-phase chromatography with fraction concatenation for 2D proteomic analysis
Yang, Feng; Shen, Yufeng; Camp, David G.; Smith, Richard D.
Orthogonal high-resolution separations are critical for attaining improved analytical dynamic ranges of proteome measurements. Concatenated high pH reversed phase liquid chromatography affords better separations than the strong cation exchange conventionally applied for two-dimensional shotgun proteomic analysis. For example, concatenated high pH reversed phase liquid chromatography increased identification coverage for peptides (e.g., by 1.8-fold) and proteins (e.g., by 1.6-fold) in shotgun proteomics analyses of a digested human protein sample. Additional advantages of concatenated high pH RPLC include improved protein sequence coverage, simplified sample processing, and reduced sample losses, making this an attractive first dimension separation strategy for two-dimensional proteomics analyses.
Quantitative analysis of molecular-level DNA crystal growth on a 2D surface
Lee, Junwye; Hamada, Shogo; Hwang, Si Un; Amin, Rashid; Son, Junyoung; Dugasani, Sreekantha Reddy; Murata, Satoshi; Park, Sung Ha
Crystallization is an essential process for understanding a molecule's aggregation behavior. It provides basic information on crystals, including their nucleation and growth processes. Deoxyribonucleic acid (DNA) has become an interesting building material because of its remarkable properties for constructing various shapes of submicron-scale DNA crystals by self-assembly. The recently developed substrate-assisted growth (SAG) method produces fully covered DNA crystals on various substrates using electrostatic interactions and provides an opportunity to observe the overall crystallization process. In this study, we investigated quantitative analysis of molecular-level DNA crystallization using the SAG method. Coverage and crystal size distribution were studied by controlling the external parameters such as monomer concentration, annealing temperature, and annealing time. Rearrangement during crystallization was also discussed. We expect that our study will provide overall picture of the fabrication process of DNA crystals on the charged substrate and promote practical applications of DNA crystals in science and technology. PMID:23817625
Proteomic analysis of heat treated bitter gourd (Momordica charantia L. var. Hong Kong Green) using 2D-DIGE.
Ng, Zhi Xiang; Chua, Kek Heng; Kuppusamy, Umah Rani
This study aimed to investigate the changes in the proteome of bitter gourd prior to and after subjecting to boiling and microwaving. A comparative analysis of the proteome profiles of raw and thermally treated bitter gourds was performed using 2D-DIGE. The protein content and number of protein spots in raw sample was higher when compared to the cooked samples. Qualitative analysis revealed that 103 (boiled sample) and 110 (microwaved sample) protein spots were up regulated whereas 120 (boiled sample) and 107 (microwaved sample) protein spots were down regulated. Ten protein spots with the highest significant fold change in the cooked samples were involved in carbohydrate/energy metabolisms and stress responses. Small heat shock proteins, superoxide dismutase, quinone oxidoreductase, UDP-glucose pyrophosphorylase and phosphoglycerate kinase play a role in heat-stress-mediated protection of bitter gourd. This study suggests that appropriate heat treatment (cooking methods) can lead to induction of selected proteins in bitter gourd. PMID:24262540
2D-PAGE protein analysis of dinoflagellate Alexandrium minutum based on three different temperatures
NASA Astrophysics Data System (ADS)
Latib, Norhidayu Abdul; Norshaha, Safida Anira; Usup, Gires; Yusof, Nurul Yuziana Mohd
Harmful algae bloom or red tide seems to be considered as threat to ecosystem, especially to human consumption because of the production of neurotoxin by dinoflagellates species such as Alexandrium minutum which can lead to paralytic shellfish poisoning. The aim of this study is to determine the most suitable method for protein extraction of A. minutum followed by determination of differential protein expression of A. minutum on three different temperatures (15°C, 26°C and 31.5°C). After the optimization, the protein extract was subjected to two-dimensional polyacrylamide gel electrophoresis (2-DE) to compare the intensity and distribution of the protein spots. Based on quantitative and qualitative protein assessment, use of Trizol reagent is the most suitable method to extract protein from A. minutum. 2-DE analysis of the samples results in different distribution and intensity of the protein spots were compared between 15°C, 26°C and 31.5°C.
A 2-D Interface Element for Coupled Analysis of Independently Modeled 3-D Finite Element Subdomains
NASA Technical Reports Server (NTRS)
Kandil, Osama A.
Over the past few years, the development of the interface technology has provided an analysis framework for embedding detailed finite element models within finite element models which are less refined. This development has enabled the use of cascading substructure domains without the constraint of coincident nodes along substructure boundaries. The approach used for the interface element is based on an alternate variational principle often used in deriving hybrid finite elements. The resulting system of equations exhibits a high degree of sparsity but gives rise to a non-positive definite system which causes difficulties with many of the equation solvers in general-purpose finite element codes. Hence the global system of equations is generally solved using, a decomposition procedure with pivoting. The research reported to-date for the interface element includes the one-dimensional line interface element and two-dimensional surface interface element. Several large-scale simulations, including geometrically nonlinear problems, have been reported using the one-dimensional interface element technology; however, only limited applications are available for the surface interface element. In the applications reported to-date, the geometry of the interfaced domains exactly match each other even though the spatial discretization within each domain may be different. As such, the spatial modeling of each domain, the interface elements and the assembled system is still laborious. The present research is focused on developing a rapid modeling procedure based on a parametric interface representation of independently defined subdomains which are also independently discretized.
Morphometric structural diversity of a natural armor assembly investigated by 2D continuum strain analysis.
Varshney, Swati; Song, Juha; Li, Yaning; Boyce, Mary C; Ortiz, Christine
Many armored fish scale assemblies use geometric heterogeneity of subunits as a design parameter to provide tailored biomechanical flexibility while maintaining protection from external penetrative threats. This study analyzes the spatially varying shape of individual ganoid scales as a structural element in a biological system, the exoskeleton of the armored fish Polypterus senegalus (bichir). X-ray microcomputed tomography is used to generate digital 3D reconstructions of the mineralized scales. Landmark-based geometric morphometrics is used to measure the geometric variation among scales and to define a set of geometric parameters to describe shape variation. A formalism using continuum mechanical strain analysis is developed to quantify the spatial geometry change of the scales and illustrate the mechanisms of shape morphing between scales. Five scale geometry variants are defined (average, anterior, tail, ventral, and pectoral fin) and their functional implications are discussed in terms of the interscale mobility mechanisms that enable flexibility within the exoskeleton. The results suggest that shape variation in materials design, inspired by structural biological materials, can allow for tunable behavior in flexible composites made of segmented scale assemblies to achieve enhanced user mobility, custom fit, and flexibility around joints for a variety of protective applications. PMID:26481418
Scaling Analysis of Ocean Surface Turbulent Heterogeneities from Satellite Remote Sensing: Use of 2D Structure Functions
Renosh, P. R.; Schmitt, Francois G.; Loisel, Hubert
Satellite remote sensing observations allow the ocean surface to be sampled synoptically over large spatio-temporal scales. The images provided from visible and thermal infrared satellite observations are widely used in physical, biological, and ecological oceanography. The present work proposes a method to understand the multi-scaling properties of satellite products such as the Chlorophyll-a (Chl-a), and the Sea Surface Temperature (SST), rarely studied. The specific objectives of this study are to show how the small scale heterogeneities of satellite images can be characterised using tools borrowed from the fields of turbulence. For that purpose, we show how the structure function, which is classically used in the frame of scaling time series analysis, can be used also in 2D. The main advantage of this method is that it can be applied to process images which have missing data. Based on both simulated and real images, we demonstrate that coarse-graining (CG) of a gradient modulus transform of the original image does not provide correct scaling exponents. We show, using a fractional Brownian simulation in 2D, that the structure function (SF) can be used with randomly sampled couple of points, and verify that 1 million of couple of points provides enough statistics. PMID:26017551
MIA-QSAR: a simple 2D image-based approach for quantitative structure activity relationship analysis
NASA Astrophysics Data System (ADS)
Freitas, Matheus P.; Brown, Steven D.; Martins, José A.
An accessible and quite simple QSAR method, based on 2D image analysis, is reported. A case study is carried out in order to compare this model with a previously reported sophisticated methodology. A well known set of ( S)- N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides, compounds with affinity to the dopamine D 2 receptor subtype, was divided in 40 calibration compounds and 18 test compounds and the descriptors were generated from pixels of 2D structures of each compound, which can be drawn with aid of any appropriate program. Bilinear (conventional) PLS was utilized as the regression method and leave-one-out cross-validation was performed using the NIPALS algorithm. The good predicted Q2 value obtained for the series of test compounds (0.58), together with the similar prediction quality obtained to other data sets (nAChR ligands, HIV protease inhibitors, COX-2 inhibitors and anxiolytic agents), suggests that the model is robust and seems to be as applicable as more complex methods.
Scaling Analysis of Ocean Surface Turbulent Heterogeneities from Satellite Remote Sensing: Use of 2D Structure Functions.
Renosh, P R; Schmitt, Francois G; Loisel, Hubert
Satellite remote sensing observations allow the ocean surface to be sampled synoptically over large spatio-temporal scales. The images provided from visible and thermal infrared satellite observations are widely used in physical, biological, and ecological oceanography. The present work proposes a method to understand the multi-scaling properties of satellite products such as the Chlorophyll-a (Chl-a), and the Sea Surface Temperature (SST), rarely studied. The specific objectives of this study are to show how the small scale heterogeneities of satellite images can be characterised using tools borrowed from the fields of turbulence. For that purpose, we show how the structure function, which is classically used in the frame of scaling time series analysis, can be used also in 2D. The main advantage of this method is that it can be applied to process images which have missing data. Based on both simulated and real images, we demonstrate that coarse-graining (CG) of a gradient modulus transform of the original image does not provide correct scaling exponents. We show, using a fractional Brownian simulation in 2D, that the structure function (SF) can be used with randomly sampled couple of points, and verify that 1 million of couple of points provides enough statistics. PMID:26017551
Combined analysis of 2-D electrical resistivity, seismic refraction and geotechnical investigations for Bukit Bunuh complex crater
NASA Astrophysics Data System (ADS)
Azwin, I. N.; Saad, Rosli; Saidin, Mokhtar; Nordiana, M. M.; Anderson Bery, Andy; Hidayah, I. N. E.
Interest in studying impact crater on earth has increased tremendously due to its importance in geologic events, earth inhabitant history as well as economic value. The existences of few shock metamorphism and crater morphology evidences are discovered in Bukit Bunuh, Malaysia thus detailed studies are performed using geophysical and geotechnical methods to verify the type of the crater and characteristics accordingly. This paper presents the combined analysis of 2-D electrical resistivity, seismic refraction, geotechnical SPT N value, moisture content and RQD within the study area. Three stages of data acquisition are made starting with regional study followed by detailed study on West side and East side. Bulk resistivity and p-wave seismic velocity were digitized from 2-D resistivity and seismic sections at specific distance and depth for corresponding boreholes and samples taken. Generally, Bukit Bunuh shows the complex crater characteristics. Standard table of bulk resistivity and p-wave seismic velocity against SPT N value, moisture content and RQD are produce according to geological classifications of impact crater; inside crater, rim/slumped terrace and outside crater.
Characterization of the isomeric configuration and impurities of (Z)-endoxifen by 2D NMR, high resolution LC⬜MS, and quantitative HPLC analysis.
Elkins, Phyllis; Coleman, Donna; Burgess, Jason; Gardner, Michael; Hines, John; Scott, Brendan; Kroenke, Michelle; Larson, Jami; Lightner, Melissa; Turner, Gregory; White, Jonathan; Liu, Paul
(Z)-Endoxifen (4-hydroxy-N-desmethyltamoxifen), an active metabolite generated via actions of CYP3A4/5 and CYP2D6, is a more potent selective estrogen receptor modulator (SERM) than tamoxifen. In the MCF-7 human mammary tumor xenograft model with female athymic mice, (Z)-endoxifen, at an oral dose of 4⬜8 mg/kg, significantly inhibits tumor growth. (Z)-Endoxifen's potential as an alternative therapeutic agent independent of CYP2D6 activities, which can vary widely in ER+ breast cancer patients, is being actively evaluated. This paper describes confirmation of the configuration of the active (Z)-isomer through 2D NMR experiments, including NOE (ROESY) to establish spatial proton⬜proton correlations, and identification of the major impurity as the (E)-isomer in endoxifen drug substance by HPLC/HRMS (HPLC/MS-TOF). Stability of NMR solutions was confirmed by HPLC/UV analysis. For pre-clinical studies, a reverse-phase HPLC⬜UV method, with methanol/water mobile phases containing 10 mM ammonium formate at pH 4.3, was developed and validated for the accurate quantitation and impurity profiling of drug substance and drug product. Validation included demonstration of linearity, method precision, accuracy, and specificity in the presence of impurities, excipients (for the drug product), and degradation products. Ruggedness and reproducibility of the method were confirmed by collaborative studies between two independent laboratories. The method is being applied for quality control of the API and oral drug product. Kinetic parameters of Z- to E-isomerization were also delineated in drug substance and in aqueous formulation, showing conversion at temperatures above 25 °C. PMID:24055701
Feasibility and correlation of standard 2D speckle tracking echocardiography and automated function imaging derived parameters of left ventricular function during dobutamine stress test.
Wierzbowska-Drabik, Karina; Hamala, Piotr; Roszczyk, Nikolina; Lipiec, Piotr; Plewka, Michał; Kręcki, Radosław; Kasprzak, Jarosław Damian
Speckle tracking echocardiography (STE) is a method of quantitative assessment of myocardial function complementary to ejection fraction and visual evaluation. Standard STE analysis, demands manual tracing of the myocardium whereas automated function imaging (AFI) offers more convenient (based on selection of three points) assessment of longitudinal strain. Nevertheless, feasibility and correlation between both methods were not thoroughly examined, especially during tachycardia at peak stage of dobutamine stress echocardiography (DSE). We performed DSE in 238 patients (pts) with recording of apical views during baseline (0) and peak (1) DSE and analyzed them by STE and AFI. According to angiography, 127/238 pts had significant (≥70%) lesions in coronary arteries. We assessed correlations between STE and AFI derived peak systolic longitudinal strain values for global and regional parameters, feasibility, time of analysis and interobserver agreement. Global systolic longitudinal strain measured during baseline and peak stage of DSE by AFI showed very good correlation with standard STE parameters, with correlation coefficients r = 0.90 and r = 0.86 respectively (p < 0.0001). For regional parameters correlation coefficients ranged from 0.83 to 0.85 for baseline and from 0.70 to 0.79 for peak DSE. Both methods provided good and similar feasibility with only 1% segments excluded from analysis at peak stage of DSE with shorter time and lower coefficient of variance offered by AFI. Global and regional longitudinal strain achieved by faster and less operator-dependent AFI method correlate well with standard more time-consuming STE analysis during baseline and peak stage of DSE. PMID:24522406
Dynamics-based selective 2D {sup 1}H/{sup 1}H chemical shift correlation spectroscopy under ultrafast MAS conditions
Zhang, Rongchun; Ramamoorthy, Ayyalusamy
Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of {sup 1}H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of {sup 1}H/{sup 1}H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials.
Stress analysis of a rectangular implant in laminated composites using 2-D and 3-D finite elements
NASA Technical Reports Server (NTRS)
Chow, Wai T.; Graves, Michael J.
An analysis method using the FEM based on the Hellinger-Reissner variation principle has been developed to determine the 3-D stresses and displacements near a rectangular implant inside a laminated composite material. Three-dimensional elements are employed in regions where the interlaminar stress is considered to be significant; 2-D elements are used in other areas. Uniaxially loaded graphite-epoxy laminates have been analyzed; the implant was modeled as four plies of 3501/6 epoxy located in the middle of the laminate. It is shown that the interlaminar stresses are an order of magnitude lower than the stress representing the applied far-field load. The stress concentration factors of both the interlaminar and in-plane stresses depend on the stacking sequence of the laminate.
NASA Astrophysics Data System (ADS)
Wang, Jin; Ma, Jianyong; Zhou, Changhe
A 3×3 high divergent 2D-grating with period of 3.842μm at wavelength of 850nm under normal incidence is designed and fabricated in this paper. This high divergent 2D-grating is designed by the vector theory. The Rigorous Coupled Wave Analysis (RCWA) in association with the simulated annealing (SA) is adopted to calculate and optimize this 2D-grating.The properties of this grating are also investigated by the RCWA. The diffraction angles are more than 10 degrees in the whole wavelength band, which are bigger than the traditional 2D-grating. In addition, the small period of grating increases the difficulties of fabrication. So we fabricate the 2D-gratings by direct laser writing (DLW) instead of traditional manufacturing method. Then the method of ICP etching is used to obtain the high divergent 2D-grating.
Two-dimensional correlation analysis and waterfall plots for detecting positional fluctuations of spectral changes.
Ryu, Soo Ryeon; Noda, Isao; Lee, Chang-Hee; Lee, Phil Ho; Hwang, Hyonseok; Jung, Young Mee
In this study, we demonstrate the potentials and pitfalls of using various waterfall plots, such as conventional waterfall plots, two-dimensional (2D) gradient maps, moving window two-dimensional analysis (MW2D), perturbation-correlation moving window two-dimensional analysis (PCMW2D), and moving window principal component analysis two-dimensional correlation analysis (MWPCA2D), in the detection of the existence of band position shifts. Waterfall plots of the simulated spectral datasets are compared with conventional 2D correlation spectra. Different waterfall plots give different features in differentiating the behaviors of frequency shift versus two overlapped bands. Two-dimensional correlation spectra clearly show the very characteristic cluster pattern for both band position shifts and two overlapped bands. The vivid pattern differences are readily detectable in various waterfalls plots. Various types of waterfall plots of temperature-dependent infrared (IR) spectra of ethylene glycol, which does not have the actual band shift but only two overlapped bands, and of Fourier transform infrared (FT-IR) spectra of 2 wt% acetone in a mixed solvent of CHCl(3)/CCl(4) demonstrate that waterfall plots are not able to unambiguously detect the difference between real band shift and two overlapped bands. Thus, the presence or lack of the asynchronous 2D butterfly pattern seems like the most effective diagnostic tool for band shift detection. PMID:21396181
Monitoring post mortem changes in porcine muscle through 2-D DIGE proteome analysis of Longissimus muscle exudate
Background Meat quality is a complex trait influenced by a range of factors with post mortem biochemical processes highly influential in defining ultimate quality. High resolution two-dimensional DIfference Gel Electrophoresis (2-D DIGE) and Western blot were applied to study the influence of post mortem meat ageing on the proteome of pork muscle. Exudate collected from the muscle following centrifugation was analysed at three timepoints representing a seven day meat ageing period. Results The intensity of 136 spots varied significantly (p < 0.05) across this post mortem period and 40 spots were identified using mass spectrometry. The main functional categories represented were metabolic proteins, stress-related proteins, transport and structural proteins. Metabolic and structural proteins were generally observed to increase in abundance post mortem and many likely represent the accumulation of the degradation products of proteolytic enzyme activity. In contrast, stress-related proteins broadly decreased in abundance across the ageing period. Stress response proteins have protective roles in maintaining cellular integrity and a decline in their abundance over time may correlate with a reduction in cellular integrity and the onset of meat ageing. Since cellular conditions alter with muscle ageing, changes in solubility may also contribute to observed abundance profiles. Conclusions Muscle exudate provided valuable information about the pathways and processes underlying the post mortem ageing period, highlighting the importance of post mortem modification of proteins and their interaction for the development of meat quality traits. PMID:23514628
Correlation method of electrocardiogram analysis
NASA Astrophysics Data System (ADS)
Strinadko, Marina M.; Timochko, Katerina B.
The electrocardiograph method is the informational source for functional heart state characteristics. The electrocardiogram parameters are the integrated map of many component characteristics of the heart system and depend on disturbance requirements of each device. In the research work the attempt of making the skeleton diagram of perturbation of the heart system is made by the characteristic description of its basic components and connections between them through transition functions, which are written down by the differential equations of the first and second order with the purpose to build-up and analyze electrocardiogram. Noting the vector character of perturbation and the various position of heart in each organism, we offer own coordinate system connected with heart. The comparative analysis of electrocardiogram was conducted with the usage of correlation method.
Functional Multiple-Set Canonical Correlation Analysis
ERIC Educational Resources Information Center
Hwang, Heungsun; Jung, Kwanghee; Takane, Yoshio; Woodward, Todd S.
We propose functional multiple-set canonical correlation analysis for exploring associations among multiple sets of functions. The proposed method includes functional canonical correlation analysis as a special case when only two sets of functions are considered. As in classical multiple-set canonical correlation analysis, computationally, the…
A hybrid wave-mode formulation for the vibro-acoustic analysis of 2D periodic structures
NASA Astrophysics Data System (ADS)
Droz, C.; Zhou, C.; Ichchou, M. N.; Lainé, J.-P.
In the framework of vibrational analysis of 2D periodic waveguides, Floquet-Bloch theorem is widely applied for the determination of wave dispersion characteristics. In this context, the Wave Finite Element Method (WFEM) combines Periodic Structure Theory (PST) with standard FE packages, enabling wave dispersion analysis of waveguides involving structurally realistic unit-cells. For such applications, the computational efficiency of the WFEM depends on the choice of the formulation and can lead to numerical issues, worsen by extensive computational cost. This paper presents a coupled wave-mode approach for the determination of wave dispersion characteristics in structurally advanced periodic structures. It combines two scales of model order reduction. At the unit-cell's scale, Component Mode Synthesis (CMS) provides the displacement field associated with local resonances of the periodic structure, while the free wave propagation is considered using a spectral problem projection on a reduced set of shape functions associated with propagating waves, thus providing considerable reduction of the computational cost. An application is provided for a bi-directionally stiffened panel and the influence of reduction parameters is discussed, as well as the robustness of the numerical results.
New aQTL SNPs for the CYP2D6 Identified by a Novel Mediation Analysis of Genome-Wide SNP Arrays, Gene Expression Arrays, and CYP2D6 Activity
Wang, Zhiping; Boustani, Malaz; Liu, Yunlong; Skaar, Todd; Li, Lang
Background. The genome-wide association studies (GWAS) have been successful during the last few years. A key challenge is that the interpretation of the results is not straightforward, especially for transacting SNPs. Integration of transcriptome data into GWAS may provide clues elucidating the mechanisms by which a genetic variant leads to a disease. Methods. Here, we developed a novel mediation analysis approach to identify new expression quantitative trait loci (eQTL) driving CYP2D6 activity by combining genotype, gene expression, and enzyme activity data. Results. 389,573 and 1,214,416 SNP-transcript-CYP2D6 activity trios are found strongly associated (P < 10−5, FDR = 16.6% and 11.7%) for two different genotype platforms, namely, Affymetrix and Illumina, respectively. The majority of eQTLs are trans-SNPs. A single polymorphism leads to widespread downstream changes in the expression of distant genes by affecting major regulators or transcription factors (TFs), which would be visible as an eQTL hotspot and can lead to large and consistent biological effects. Overlapped eQTL hotspots with the mediators lead to the discovery of 64 TFs. Conclusions. Our mediation analysis is a powerful approach in identifying the trans-QTL-phenotype associations. It improves our understanding of the functional genetic variations for the liver metabolism mechanisms. PMID:24232670
Theoretical analysis on the measurement errors of local 2D DIC: Part I temporal and spatial uncertainty quantification of displacement measurements
Wang, Yueqi; Lava, Pascal; Reu, Phillip; Debruyne, Dimitri; Van Houtte, Paul
This study presents a theoretical uncertainty quantification of displacement measurements by subset-based 2D-digital image correlation. A generalized solution to estimate the random error of displacement measurement is presented. The obtained solution suggests that the random error of displacement measurements is determined by the image noise, the summation of the intensity gradient in a subset, the subpixel part of displacement, and the interpolation scheme. The proposed method is validated with virtual digital image correlation tests.
Analysis on oscillating actuator frequency influence of the fluid flow characterization for 2D contractile water jet thruster
NASA Astrophysics Data System (ADS)
Shaari, M. F.; Abu Bakar, H.; Nordin, N.; Saw, S. K.; Samad, Z.
Contractile body is an alternative mechanism instead of rotating blade propeller to generate water jet for locomotion. The oscillating motion of the actuator at different frequencies varies the pressure and volume of the pressure chamber in time to draw in and jet out the water at a certain mass flow rate. The aim of this research was to analyze the influence of the actuating frequency of the fluid flow in the pressure chamber of the thruster during this inflation-deflation process. A 70mm × 70mm × 18mm (L × W × T) 2D water jet thruster was fabricated for this purpose. The contractile function was driven using two lateral pneumatic actuators where the fluid flow analysis was focused on the X-Y plane vector. Observation was carried out using a video camera and Matlab image measurement technique to determine the volume of the flowing mass. The result demonstrated that the greater actuating frequency decreases the fluid flow rate and the Reynolds number. This observation shows that the higher frequency would give a higher mass flow rate during water jet generation.
2D Cross Sectional Analysis and Associated Electrochemistry of Composite Electrodes Containing Dispersed Agglomerates of Nanocrystalline Magnetite, Fe₃O₄.
Bock, David C; Kirshenbaum, Kevin C; Wang, Jiajun; Zhang, Wei; Wang, Feng; Wang, Jun; Marschilok, Amy C; Takeuchi, Kenneth J; Takeuchi, Esther S
When electroactive nanomaterials are fully incorporated into an electrode structure, characterization of the crystallite sizes, agglomerate sizes, and dispersion of the electroactive materials can lend insight into the complex electrochemistry associated with composite electrodes. In this study, composite magnetite electrodes were sectioned using ultramicrotome techniques, which facilitated the direct observation of crystallites and agglomerates of magnetite (Fe3O4) as well as their dispersal patterns in large representative sections of electrode, via 2D cross sectional analysis by Transmission Electron Microscopy (TEM). Further, the electrochemistry of these electrodes were recorded, and Transmission X-ray Microscopy (TXM) was used to determine the distribution of oxidation states of the reduced magnetite. Unexpectedly, while two crystallite sizes of magnetite were employed in the production of the composite electrodes, the magnetite agglomerate sizes and degrees of dispersion in the two composite electrodes were similar to each other. This observation illustrates the necessity for careful characterization of composite electrodes, in order to understand the effects of crystallite size, agglomerate size, and level of dispersion on electrochemistry. PMID:26024206
2D-DIGE proteomic analysis of mesenchymal stem cell cultured on the elasticity-tunable hydrogels.
Kuboki, Thasaneeya; Kantawong, Fahsai; Burchmore, Richard; Dalby, Matthew J; Kidoaki, Satoru
The present study focuses on mechanotransduction in mesenchymal stem cells (MSCs) in response to matrix elasticity. By using photocurable gelatinous gels with tunable stiffness, proteomic profiles of MSCs cultured on tissue culture plastic, soft (3 kPa) and stiff (52 kPa) matrices were deciphered using 2-dimensional differential in-gel analysis (2D-DIGE). The DIGE data, tied to immunofluorescence, indicated abundance and organization changes in the cytoskeletonal proteins as well as differential regulation of important signaling-related proteins, stress-responsing proteins and also proteins involved in collagen synthesis. The major CSK proteins including actin, tubulin and vimentin of the cells cultured on the gels were remarkably changed their expressions. Significant down-regulation of α-tubulin and β-actin can be observed on gel samples in comparison to the rigid tissue culture plates. The expression abundance of vimentin appeared to be highest in the MSCs cultured on hard gels. These results suggested that the substrate stiffness significantly affects expression balances in cytoskeletal proteins of MSCs with some implications to cellular tensegrity. PMID:22971925
Phylogenetic and 2D/3D Analysis of HCV 1a NS4A Gene/Protein in Pakistani Isolates
Hussain, Abrar; Idrees, Muhammad; Asif, Muhammad; Ali, Liaqat; Rasool, Mahmood
Background: The nonstructural protein NS4A of hepatitis C virus is composed of 54 amino acids. This small size protein has vital role in many cellular functions. The most important reported function is being a cofactor of viral enzymes serine protease and helicase. Objectives: The objective of this study was to analyze the phylogenetic variation, its impact in terms of translation and any functional change in protein structure at primary 2D/3D structure using computational tools from Pakistani patients isolates. Materials and Methods: Patient sera infected with Hepatitis C virus, genotype 1A, were obtained from Molecular Diagnostics lab, CEMB, University of the Punjab Lahore by using BD Vacutainer collection tubes (Becton Dickenson). Results: Phylogenetic analysis of the gene revealed that Pakistani 1a HCV strains are in the start of third cluster and there is a difference between inter Pakistani isolates at primary, secondary and tertiary levels. Conclusions: Mutations were present in the central domain of NS4A (amino acids 21 - 34). PMID:26288631
2D fluid model analysis for the effect of 3D gas flow on a capacitively coupled plasma deposition reactor
NASA Astrophysics Data System (ADS)
Kim, Ho Jun; Lee, Hae June
The wide applicability of capacitively coupled plasma (CCP) deposition has increased the interest in developing comprehensive numerical models, but CCP imposes a tremendous computational cost when conducting a transient analysis in a three-dimensional (3D) model which reflects the real geometry of reactors. In particular, the detailed flow features of reactive gases induced by 3D geometric effects need to be considered for the precise calculation of radical distribution of reactive species. Thus, an alternative inclusive method for the numerical simulation of CCP deposition is proposed to simulate a two-dimensional (2D) CCP model based on the 3D gas flow results by simulating flow, temperature, and species fields in a 3D space at first without calculating the plasma chemistry. A numerical study of a cylindrical showerhead-electrode CCP reactor was conducted for particular cases of SiH4/NH3/N2/He gas mixture to deposit a hydrogenated silicon nitride (SiN x H y ) film. The proposed methodology produces numerical results for a 300 mm wafer deposition reactor which agree very well with the deposition rate profile measured experimentally along the wafer radius.
Integral equation analysis and optimization of 2D layered nanolithography masks by complex images Green's function technique in TM polarization.
Haghtalab, Mohammad; Faraji-Dana, Reza
Analysis and optimization of diffraction effects in nanolithography through multilayered media with a fast and accurate field-theoretical approach is presented. The scattered field through an arbitrary two-dimensional (2D) mask pattern in multilayered media illuminated by a TM-polarized incident wave is determined by using an electric field integral equation formulation. In this formulation the electric field is represented in terms of complex images Green's functions. The method of moments is then employed to solve the resulting integral equation. In this way an accurate and computationally efficient approximate method is achieved. The accuracy of the proposed method is vindicated through comparison with direct numerical integration results. Moreover, the comparison is made between the results obtained by the proposed method and those obtained by the full-wave finite-element method. The ray tracing method is combined with the proposed method to describe the imaging process in the lithography. The simulated annealing algorithm is then employed to solve the inverse problem, i.e., to design an optimized mask pattern to improve the resolution. Two binary mask patterns under normal incident coherent illumination are designed by this method, where it is shown that the subresolution features improve the critical dimension significantly. PMID:22561933
Interaction Between Tropical Convection and its Embedding Environment: An Energetics Analysis of a 2-D Cloud Resolving Simulation
NASA Technical Reports Server (NTRS)
Li, Xiaofan; Sui, C.-H.; Lau, K.-M.
The phase relation between the perturbation kinetic energy (K') associated with the tropical convection and the horizontal-mean moist available potential energy (bar-P) associated with environmental conditions is investigated by an energetics analysis of a numerical experiment. This experiment is performed using a 2-D cloud resolving model forced by the TOGA-COARE derived vertical velocity. The imposed upward motion leads to a decrease of bar-P directly through the associated vertical advective cooling, and to an increase of K' directly through cloud related processes, feeding the convection. The maximum K' and its maximum growth rate lags and leads, respectively, the maximum imposed large-scale upward motion by about 1-2 hours, indicating that convection is phase locked with large-scale forcing. The dominant life cycle of the simulated convection is about 9 hours, whereas the time scales of the imposed large-scale forcing are longer than the diurnal cycle. In the convective events, maximum growth of K' leads maximum decay of the perturbation moist available potential energy (P') by about 3 hours through vertical heat transport by perturbation circulation, and perturbation cloud heating. Maximum decay of P' leads maximum decay of bar-P by about one hour through the perturbation radiative, processes, the horizontal-mean cloud heating, and the large-scale vertical advective cooling. Therefore, maximum gain of K' occurs about 4-5 hours before maximum decay of bar-P.
Analysis of pharmaceutical impurities using multi-heartcutting 2D LC coupled with UV-charged aerosol MS detection.
Zhang, Kelly; Li, Yi; Tsang, Midco; Chetwyn, Nik P
To overcome challenges in HPLC impurity analysis of pharmaceuticals, we developed an automated online multi-heartcutting 2D HPLC system with hyphenated UV-charged aerosol MS detection. The first dimension has a primary column and the second dimension has six orthogonal columns to enhance flexibility and selectivity. The two dimensions were interfaced by a pair of switching valves equipped with six trapping loops that allow multi-heartcutting of peaks of interest in the first dimension and also allow "peak parking." The hyphenated UV-charged aerosol MS detection provides comprehensive detection for compounds with and without UV chromophores, organics, and inorganics. It also provides structural information for impurity identification. A hidden degradation product that co-eluted with the drug main peak was revealed by RP × RP separation and thus enabled the stability-indicating method development. A poorly retained polar component with no UV chromophores was analyzed by RP × hydrophilic interaction liquid chromatography separation with charged aerosol detection. Furthermore, using this system, the structures of low-level impurities separated by a method using nonvolatile phosphate buffer were identified and tracked by MS in the second dimension. PMID:23821312
Rainfall/runoff simulation with 2D full shallow water equations: Sensitivity analysis and calibration of infiltration parameters
NASA Astrophysics Data System (ADS)
Fernández-Pato, Javier; Caviedes-Voullième, Daniel; García-Navarro, Pilar
One of the most difficult issues in the development of hydrologic models is to find a rigorous source of data and specific parameters to a given problem, on a given location that enable reliable calibration. In this paper, a distributed and physically based model (2D Shallow Water Equations) is used for surface flow and runoff calculations in combination with two infiltration laws (Horton and Green-Ampt) for estimating infiltration in a watershed. This technique offers the capability of assigning a local and time-dependent infiltration rate to each computational cell depending on the available surface water, soil type or vegetation. We investigate how the calibration of parameters is affected by transient distributed Shallow Water model and the complexity of the problem. In the first part of this work, we calibrate the infiltration parameters for both Horton and Green-Ampt models under flat ponded soil conditions. Then, by means of synthetic test cases, we perform a space-distributed sensitivity analysis in order to show that this calibration can be significantly affected by the introduction of topography or rainfall. In the second part, parameter calibration for a real catchment is addressed by comparing the numerical simulations with two different sets of experimental data, corresponding to very different events in terms of the rainfall volume. We show that the initial conditions of the catchment and the rainfall pattern have a special relevance in the quality of the adjustment. Hence, it is shown that the topography of the catchment and the storm characteristics affect the calibration of infiltration parameters.
Preliminary analysis of the Baranof Fan system, Gulf of Alaska, based on 2D seismic reflection and multibeam bathymetry data
NASA Astrophysics Data System (ADS)
LeVoir, M. A.; Gulick, S. P.; Reece, R.; Barth, G. A.; Childs, J. R.; Everson, E. D.; Hart, P. E.; Johnson, K. M.; Lester, W. R.; Sliter, R. W.
The Baranof Fan is a large marine sedimentary system in the eastern Gulf of Alaska, straddling the border between the U.S. and Canada. The volume of the Fan is estimated to be > 200,000 km3. Little is known about the depositional timing, the tectonic and morphologic processes influencing its development, or the role of channel aggradation and avulsion in its progression. Both tectonic and climatic transitions likely influenced the formation and evolution of the Fan, with events including the onset of northern hemisphere glaciation, the Mid-Pleistocene transition, the transport of the Yakutat Terrane along the southeast Alaskan margin, and the uplift of the Coast Mountains. 2D seismic reflection and multibeam bathymetry data were collected in the Gulf of Alaska in June 2011 aboard the R/V Marcus G. Langseth as a part of the U.S. Extended Continental Shelf (ECS) program assessing potential opportunities under the United Nations Law of the Sea Convention. The purpose of the 2011 survey was to determine sediment thickness, velocity structure, stratigraphic architecture, and crustal structure on of the Gulf of Alaska seafloor in support of U.S. continental shelf maritime zone definition. The surveyed geologic features include the Surveyor and Baranof sedimentary systems, which control active sediment distribution in the Gulf of Alaska. Preliminary analysis of these data show four distinct buried channels throughout the mid to distal Baranof Fan, ranging in width from 5 - 9 km, which may have evolved into modern surface channels (ranging in width from 2 - 7 km) visible in both the seismic data and multibeam bathymetry. The location and trajectory of these buried channels, however, appears distinct from the modern Horizon and Mukluk Channels; the buried channels may have avulsed into the modern channel systems, or could possibly be older and now abandoned branches instrumental in building the westward part of the Fan. All of the imaged channels appear to be depositional
Allowing for Correlations between Correlations in Random-Effects Meta-Analysis of Correlation Matrices
ERIC Educational Resources Information Center
Prevost, A. Toby; Mason, Dan; Griffin, Simon; Kinmonth, Ann-Louise; Sutton, Stephen; Spiegelhalter, David
Practical meta-analysis of correlation matrices generally ignores covariances (and hence correlations) between correlation estimates. The authors consider various methods for allowing for covariances, including generalized least squares, maximum marginal likelihood, and Bayesian approaches, illustrated using a 6-dimensional response in a series of…
2D Hydrodynamic Based Logic Modeling Tool for River Restoration Decision Analysis: A Quantitative Approach to Project Prioritization
NASA Astrophysics Data System (ADS)
Bandrowski, D.; Lai, Y.; Bradley, N.; Gaeuman, D. A.; Murauskas, J.; Som, N. A.; Martin, A.; Goodman, D.; Alvarez, J.
In the field of river restoration sciences there is a growing need for analytical modeling tools and quantitative processes to help identify and prioritize project sites. 2D hydraulic models have become more common in recent years and with the availability of robust data sets and computing technology, it is now possible to evaluate large river systems at the reach scale. The Trinity River Restoration Program is now analyzing a 40 mile segment of the Trinity River to determine priority and implementation sequencing for its Phase II rehabilitation projects. A comprehensive approach and quantitative tool has recently been developed to analyze this complex river system referred to as: 2D-Hydrodynamic Based Logic Modeling (2D-HBLM). This tool utilizes various hydraulic output parameters combined with biological, ecological, and physical metrics at user-defined spatial scales. These metrics and their associated algorithms are the underpinnings of the 2D-HBLM habitat module used to evaluate geomorphic characteristics, riverine processes, and habitat complexity. The habitat metrics are further integrated into a comprehensive Logic Model framework to perform statistical analyses to assess project prioritization. The Logic Model will analyze various potential project sites by evaluating connectivity using principal component methods. The 2D-HBLM tool will help inform management and decision makers by using a quantitative process to optimize desired response variables with balancing important limiting factors in determining the highest priority locations within the river corridor to implement restoration projects. Effective river restoration prioritization starts with well-crafted goals that identify the biological objectives, address underlying causes of habitat change, and recognizes that social, economic, and land use limiting factors may constrain restoration options (Bechie et. al. 2008). Applying natural resources management actions, like restoration prioritization, is
Five radionuclide vadose zone models with different degrees of complexity (CHAIN, MULTIMED_DP, FECTUZ, HYDRUS, and CHAIN 2D) were selected for use in soil screening level (SSL) calculations. A benchmarking analysis between the models was conducted for a radionuclide (99Tc) rele...
Analysis of the terrestrial ion foreshock: 2D Full-Particle simulation of a curved supercritical shock
NASA Astrophysics Data System (ADS)
Lembege, B.; Savoini, P.; Stienlet, J.
Two distinct ion populations backstreaming into the solar wind have been clearly evidenced by various space missions within the quasi-perpendicular region of the ion foreshock located upstream of the Earth's Bow shock (i.e. for 45° ≤ Theta_Bn ≤ 90°, where Theta_Bn is the angle between the shock normal and the upstream magnetostatic field): (i) field-aligned ion beams (« FAB ») characterized by a gyrotropic distribution, and (ii) gyro-phase bunched ions («GPB »), characterized by a NON gyrotropic distribution. The origin of these backstreaming ions has not been clearly identified and is presently analyzed with the help of 2D PIC simulation of a curved shock, where full curvature effects, time of flight effects and both electrons and ions dynamics are fully described within a self consistent approach. Present simulations evidence that these two populations can be effectively created directly by the shock front without invoking microinstabilities. The analysis of both individual and statistical ion trajectories evidences that: (i) two new parameters, namely the interaction time DT_inter and distance of penetration L_depth into the shock wave, play a key role and allow to discriminate these two populations. "GPB" population is characterized by a very short interaction time (DT_inter = 1 to 2 Tci) in comparison to the "FAB" population (DT_inter = 2 Tci to 10 Tci) which moves back and forth between the upstream edge of the shock front and the overshoot, where tci is the upstream ion gyroperiod. (ii) the importance of the injection angle (i.e. the angle between the normal of the shock front and the gyration velocity when ions reach the shock) to understand how the reflection process takes place. (iii) "FAB" population drifts along the curved shock front scanning a large Theta_Bn range from 90°. (iv) "GPB" population is embedded within the "FAB" population near the shock front which explains the difficulty to identify such a population in the experimental
Design procedures for Strain Hardening Cement Composites (SHCC) and measurement of their shear properties by mechanical and 2-D Digital Image Correlation (DIC) method
NASA Astrophysics Data System (ADS)
Aswani, Karan
The main objective of this study is to investigate the behaviour and applications of strain hardening cement composites (SHCC). Application of SHCC for use in slabs of common configurations was studied and design procedures are prepared by employing yield line theory and integrating it with simplified tri-linear model developed in Arizona State University by Dr. Barzin Mobasher and Dr. Chote Soranakom. Intrinsic material property of moment-curvature response for SHCC was used to derive the relationship between applied load and deflection in a two-step process involving the limit state analysis and kinematically admissible displacements. For application of SHCC in structures such as shear walls, tensile and shear properties are necessary for design. Lot of research has already been done to study the tensile properties and therefore shear property study was undertaken to prepare a design guide. Shear response of textile reinforced concrete was investigated based on picture frame shear test method. The effects of orientation, volume of cement paste per layer, planar cross-section and volume fraction of textiles were investigated. Pultrusion was used for the production of textile reinforced concrete. It is an automated set-up with low equipment cost which provides uniform production and smooth final surface of the TRC. A 3-D optical non-contacting deformation measurement technique of digital image correlation (DIC) was used to conduct the image analysis on the shear samples by means of tracking the displacement field through comparison between the reference image and deformed images. DIC successfully obtained full-field strain distribution, displacement and strain versus time responses, demonstrated the bonding mechanism from perspective of strain field, and gave a relation between shear angle and shear strain.
Phase angle description of perturbation correlation analysis and its application to time-resolved infrared spectra.
Morita, Shigeaki; Tanaka, Masaru; Noda, Isao; Ozaki, Yukihiro
A method of spectral analysis, phase angle description of perturbation correlation analysis, is proposed. This method is based on global phase angle description of generalized two-dimensional (2D) correlation spectroscopy, proposed by Shin-ichi Morita et al., and perturbation-correlation moving-window 2D (PCMW2D) correlation spectroscopy, proposed by Shigeaki Morita et al. For a spectral data set collected under an external perturbation, such as time-resolved infrared spectra, this method provides only one phase angle spectrum. A phase angle of the Fourier frequency domain correlation between a spectral intensity (e.g., absorbance) variation and a perturbation variation (e.g., scores of the first principle component) as a function of spectral variable (e.g., wavenumber) is plotted. Therefore, a degree of time lag of each band variation with respect to the perturbation variation is directly visualized in the phase angle spectrum. This method is applied to time-resolved infrared spectra in the O-H stretching region of the water sorption process into a poly(2-methoxyethyl acrylate) (PMEA) film. The time-resolved infrared (IR) spectra show three broad and overlapping bands in the region. Each band increases toward saturated water sorption with different relaxation times. In comparison to conventional methods of generalized 2D correlation spectroscopy and global phase angle mapping, the method proposed in the present study enables the easier visualization of the sequence as a degree of phase angle in the spectrum. PMID:17716406
Analysis of EEG signals regularity in adults during video game play in 2D and 3D.
Khairuddin, Hamizah R; Malik, Aamir S; Mumtaz, Wajid; Kamel, Nidal; Xia, Likun
Video games have long been part of the entertainment industry. Nonetheless, it is not well known how video games can affect us with the advancement of 3D technology. The purpose of this study is to investigate the EEG signals regularity when playing video games in 2D and 3D modes. A total of 29 healthy subjects (24 male, 5 female) with mean age of 21.79 (1.63) years participated. Subjects were asked to play a car racing video game in three different modes (2D, 3D passive and 3D active). In 3D passive mode, subjects needed to wear a passive polarized glasses (cinema type) while for 3D active, an active shutter glasses was used. Scalp EEG data was recorded during game play using 19-channel EEG machine and linked ear was used as reference. After data were pre-processed, the signal irregularity for all conditions was computed. Two parameters were used to measure signal complexity for time series data: i) Hjorth-Complexity and ii) Composite Permutation Entropy Index (CPEI). Based on these two parameters, our results showed that the complexity level increased from eyes closed to eyes open condition; and further increased in the case of 3D as compared to 2D game play. PMID:24110125
SU-E-T-77: Comparison of 2D and 3D Gamma Analysis in Patient-Specific QA for Prostate VMAT Plans
Clemente, F; Perez, C
Purpose: Patient-specific QA procedures for IMRT and VMAT are traditionally performed by comparing TPS calculations with measured single point values and plane dose distributions by means of gamma analysis. New QA devices permit us to calculate 3D dose distributions on patient anatomy as redundant secondary check and reconstruct it from measurements taken with 2D and 3D detector arrays. 3D dose calculations allow us to perform DVH-based comparisons with clinical relevance, as well as 3D gamma analysis. One of these systems (Compass, IBA Dosimetry) combines traditional 2D with new anatomical-based 3D gamma analysis. This work shows the ability of this system by comparing 2D and 3D gamma analysis in pre-treatment QA for several VMAT prostate plans. Methods: Compass is capable of calculating dose as secondary check from DICOM TPS data and reconstructing it from measurements taken by a 2D ion chamber array (MatriXX Evolution, IBA Dosimetry). Both 2D and 3D gamma tests are available to compare calculated and reconstructed dose in Compass with TPS RT Dose. Results: 15 VMAT prostate plans have been measured with Compass. Dose is reconstructed with Compass for these plans. 2D gamma comparisons can be done for any plane from dose matrix. Mean gamma passing rates for isocenter planes (axial, coronal, sagittal) are (99.7±0.2)%, (99.9±0.1)%, (99.9±0.1)% for reconstructed dose planes. 3D mean gamma passing rates are (98.5±1.7)% for PTVs, (99.1±1.5)% for rectum, (100.0±0.0)% for bladder, (99.6±0.7)% for femoral heads and (98.1±4.1)% for penile bulb. Conclusion: Compass is a powerful tool to perform a complete pre-treatment QA analysis, from 2D techniques to 3D DVH-based techniques with clinical relevance. All reported values for VMAT prostate plans are in good agreement with TPS values. This system permits us to ensure the accuracy in the delivery of VMAT treatments completing a full patient-specific QA program.
Vibration analysis using digital correlation
NASA Technical Reports Server (NTRS)
Gilbert, John A.; Lehner, David L.; Dudderar, T. Dixon; Matthys, Donald R.
This paper demonstrates the use of a computer-based optical method for locating the positions of nodes and antinodes in vibrating members. Structured light patterns are projected at an angle onto the vibrating surface using a 35 mm slide projector. The vibrating surface and the projected images are captured in a time averaged photograph which is subsequently digitized. The inherent fringe patterns are filtered to determine amplitudes of vibration, and computer programs are used to compare the time averaged images to images recorded prior to excitation to locate nodes and antinodes. Some of the influences of pattern regularity on digital correlation are demonstrated, and a speckle-based method for determining the mode shapes and the amplitudes of vibration with variable sensitivity is suggested.
Correlation analysis of dissimilarity matrices
Technology Transfer Automated Retrieval System (TEKTRAN)
Distance-based methods have been a valuable tool for ecologists for decades. Ordination and cluster analysis in particular have been widely practiced because they allow the visualization of a multivariate dataset in a few dimensions. The Mantel test and its relatives add hypothesis testing to the di...