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Petermann I and II spot size: Accurate semi analytical description involving Nelder-Mead method of nonlinear unconstrained optimization and three parameter fundamental modal field
NASA Astrophysics Data System (ADS)
Roy Choudhury, Raja; Roy Choudhury, Arundhati; Kanti Ghose, Mrinal
A semi-analytical model with three optimizing parameters and a novel non-Gaussian function as the fundamental modal field solution has been proposed to arrive at an accurate solution to predict various propagation parameters of graded-index fibers with less computational burden than numerical methods. In our semi analytical formulation the optimization of core parameter U which is usually uncertain, noisy or even discontinuous, is being calculated by Nelder-Mead method of nonlinear unconstrained minimizations as it is an efficient and compact direct search method and does not need any derivative information. Three optimizing parameters are included in the formulation of fundamental modal field of an optical fiber to make it more flexible and accurate than other available approximations. Employing variational technique, Petermann I and II spot sizes have been evaluated for triangular and trapezoidal-index fibers with the proposed fundamental modal field. It has been demonstrated that, the results of the proposed solution identically match with the numerical results over a wide range of normalized frequencies. This approximation can also be used in the study of doped and nonlinear fiber amplifier.
Robust Accurate Non-Invasive Analyte Monitor
Robinson, Mark R.
An improved method and apparatus for determining noninvasively and in vivo one or more unknown values of a known characteristic, particularly the concentration of an analyte in human tissue. The method includes: (1) irradiating the tissue with infrared energy (400 nm-2400 nm) having at least several wavelengths in a given range of wavelengths so that there is differential absorption of at least some of the wavelengths by the tissue as a function of the wavelengths and the known characteristic, the differential absorption causeing intensity variations of the wavelengths incident from the tissue; (2) providing a first path through the tissue; (3) optimizing the first path for a first sub-region of the range of wavelengths to maximize the differential absorption by at least some of the wavelengths in the first sub-region; (4) providing a second path through the tissue; and (5) optimizing the second path for a second sub-region of the range, to maximize the differential absorption by at least some of the wavelengths in the second sub-region. In the preferred embodiment a third path through the tissue is provided for, which path is optimized for a third sub-region of the range. With this arrangement, spectral variations which are the result of tissue differences (e.g., melanin and temperature) can be reduced. At least one of the paths represents a partial transmission path through the tissue. This partial transmission path may pass through the nail of a finger once and, preferably, twice. Also included are apparatus for: (1) reducing the arterial pulsations within the tissue; and (2) maximizing the blood content i the tissue.
Accurate Estimate of Some Propagation Characteristics for the First Higher Order Mode in Graded Index Fiber with Simple Analytic Chebyshev Method
NASA Astrophysics Data System (ADS)
Dutta, Ivy; Chowdhury, Anirban Roy; Kumbhakar, Dharmadas
Using Chebyshev power series approach, accurate description for the first higher order (LP11) mode of graded index fibers having three different profile shape functions are presented in this paper and applied to predict their propagation characteristics. These characteristics include fractional power guided through the core, excitation efficiency and Petermann I and II spot sizes with their approximate analytic formulations. We have shown that where two and three Chebyshev points in LP11 mode approximation present fairly accurate results, the values based on our calculations involving four Chebyshev points match excellently with available exact numerical results.
ERIC Educational Resources Information Center
Ember, Lois R.
The procedures utilized by the Association of Official Analytical Chemists (AOAC) to develop, evaluate, and validate analytical methods for the analysis of chemical pollutants are detailed. Methods validated by AOAC are used by the EPA and FDA in their enforcement programs and are granted preferential treatment by the courts. (BT)
Direct quantification of lycopene in products derived from thermally processed tomatoes: optothermal window as a selective, sensitive, and accurate analytical method without the need for preparatory steps.
Bicanic, Dane; Swarts, Jan; Luterotti, Svjetlana; Pietraperzia, Giangaetano; Dóka, Otto; de Rooij, Hans
The concept of the optothermal window (OW) is proposed as a reliable analytical tool to rapidly determine the concentration of lycopene in a large variety of commercial tomato products in an extremely simple way (the determination is achieved without the need for pretreatment of the sample). The OW is a relative technique as the information is deduced from the calibration curve that relates the OW data (i.e., the product of the absorption coefficient beta and the thermal diffusion length micro) with the lycopene concentration obtained from spectrophotometric measurements. The accuracy of the method has been ascertained with a high correlation coefficient (R = 0.98) between the OW data and results acquired from the same samples by means of the conventional extraction spectrophotometric method. The intrinsic precision of the OW method is quite high (better than 1%), whereas the repeatability of the determination (RSD = 0.4-9.5%, n= 3-10) is comparable to that of spectrophotometry.
Accurate, meshless methods for magnetohydrodynamics
NASA Astrophysics Data System (ADS)
Hopkins, Philip F.; Raives, Matthias J.
Recently, we explored new meshless finite-volume Lagrangian methods for hydrodynamics: the `meshless finite mass' (MFM) and `meshless finite volume' (MFV) methods; these capture advantages of both smoothed particle hydrodynamics (SPH) and adaptive mesh refinement (AMR) schemes. We extend these to include ideal magnetohydrodynamics (MHD). The MHD equations are second-order consistent and conservative. We augment these with a divergence-cleaning scheme, which maintains nabla \\cdot B≈ 0. We implement these in the code GIZMO, together with state-of-the-art SPH MHD. We consider a large test suite, and show that on all problems the new methods are competitive with AMR using constrained transport (CT) to ensure nabla \\cdot B=0. They correctly capture the growth/structure of the magnetorotational instability, MHD turbulence, and launching of magnetic jets, in some cases converging more rapidly than state-of-the-art AMR. Compared to SPH, the MFM/MFV methods exhibit convergence at fixed neighbour number, sharp shock-capturing, and dramatically reduced noise, divergence errors, and diffusion. Still, `modern' SPH can handle most test problems, at the cost of larger kernels and `by hand' adjustment of artificial diffusion. Compared to non-moving meshes, the new methods exhibit enhanced `grid noise' but reduced advection errors and diffusion, easily include self-gravity, and feature velocity-independent errors and superior angular momentum conservation. They converge more slowly on some problems (smooth, slow-moving flows), but more rapidly on others (involving advection/rotation). In all cases, we show divergence control beyond the Powell 8-wave approach is necessary, or all methods can converge to unphysical answers even at high resolution.
Analytic Methods in Investigative Geometry.
ERIC Educational Resources Information Center
Dobbs, David E.
Suggests an alternative proof by analytic methods, which is more accessible than rigorous proof based on Euclid's Elements, in which students need only apply standard methods of trigonometry to the data without introducing new points or lines. (KHR)
Accurate analytical approximation of asteroid deflection with constant tangential thrust
NASA Astrophysics Data System (ADS)
Bombardelli, Claudio; Baù, Giulio
We present analytical formulas to estimate the variation of achieved deflection for an Earth-impacting asteroid following a continuous tangential low-thrust deflection strategy. Relatively simple analytical expressions are obtained with the aid of asymptotic theory and the use of Peláez orbital elements set, an approach that is particularly suitable to the asteroid deflection problem and is not limited to small eccentricities. The accuracy of the proposed formulas is evaluated numerically showing negligible error for both early and late deflection campaigns. The results will be of aid in planning future low-thrust asteroid deflection missions.
Clean Water Act Analytical Methods
EPA publishes laboratory analytical methods (test procedures) that are used by industries and municipalities to analyze the chemical, physical and biological components of wastewater and other environmental samples required by the Clean Water Act.
Accurate upwind methods for the Euler equations
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
A new class of piecewise linear methods for the numerical solution of the one-dimensional Euler equations of gas dynamics is presented. These methods are uniformly second-order accurate, and can be considered as extensions of Godunov's scheme. With an appropriate definition of monotonicity preservation for the case of linear convection, it can be shown that they preserve monotonicity. Similar to Van Leer's MUSCL scheme, they consist of two key steps: a reconstruction step followed by an upwind step. For the reconstruction step, a monotonicity constraint that preserves uniform second-order accuracy is introduced. Computational efficiency is enhanced by devising a criterion that detects the 'smooth' part of the data where the constraint is redundant. The concept and coding of the constraint are simplified by the use of the median function. A slope steepening technique, which has no effect at smooth regions and can resolve a contact discontinuity in four cells, is described. As for the upwind step, existing and new methods are applied in a manner slightly different from those in the literature. These methods are derived by approximating the Euler equations via linearization and diagonalization. At a 'smooth' interface, Harten, Lax, and Van Leer's one intermediate state model is employed. A modification for this model that can resolve contact discontinuities is presented. Near a discontinuity, either this modified model or a more accurate one, namely, Roe's flux-difference splitting. is used. The current presentation of Roe's method, via the conceptually simple flux-vector splitting, not only establishes a connection between the two splittings, but also leads to an admissibility correction with no conditional statement, and an efficient approximation to Osher's approximate Riemann solver. These reconstruction and upwind steps result in schemes that are uniformly second-order accurate and economical at smooth regions, and yield high resolution at discontinuities.
Accurate methods for large molecular systems.
Gordon, Mark S; Mullin, Jonathan M; Pruitt, Spencer R; Roskop, Luke B; Slipchenko, Lyudmila V; Boatz, Jerry A
Three exciting new methods that address the accurate prediction of processes and properties of large molecular systems are discussed. The systematic fragmentation method (SFM) and the fragment molecular orbital (FMO) method both decompose a large molecular system (e.g., protein, liquid, zeolite) into small subunits (fragments) in very different ways that are designed to both retain the high accuracy of the chosen quantum mechanical level of theory while greatly reducing the demands on computational time and resources. Each of these methods is inherently scalable and is therefore eminently capable of taking advantage of massively parallel computer hardware while retaining the accuracy of the corresponding electronic structure method from which it is derived. The effective fragment potential (EFP) method is a sophisticated approach for the prediction of nonbonded and intermolecular interactions. Therefore, the EFP method provides a way to further reduce the computational effort while retaining accuracy by treating the far-field interactions in place of the full electronic structure method. The performance of the methods is demonstrated using applications to several systems, including benzene dimer, small organic species, pieces of the alpha helix, water, and ionic liquids.
Accurate method for computing correlated color temperature.
Li, Changjun; Cui, Guihua; Melgosa, Manuel; Ruan, Xiukai; Zhang, Yaoju; Ma, Long; Xiao, Kaida; Luo, M Ronnier
For the correlated color temperature (CCT) of a light source to be estimated, a nonlinear optimization problem must be solved. In all previous methods available to compute CCT, the objective function has only been approximated, and their predictions have achieved limited accuracy. For example, different unacceptable CCT values have been predicted for light sources located on the same isotemperature line. In this paper, we propose to compute CCT using the Newton method, which requires the first and second derivatives of the objective function. Following the current recommendation by the International Commission on Illumination (CIE) for the computation of tristimulus values (summations at 1 nm steps from 360 nm to 830 nm), the objective function and its first and second derivatives are explicitly given and used in our computations. Comprehensive tests demonstrate that the proposed method, together with an initial estimation of CCT using Robertson's method [J. Opt. Soc. Am. 58, 1528-1535 (1968)], gives highly accurate predictions below 0.0012 K for light sources with CCTs ranging from 500 K to 106 K.
Practical aspects of spatially high accurate methods
NASA Technical Reports Server (NTRS)
Godfrey, Andrew G.; Mitchell, Curtis R.; Walters, Robert W.
The computational qualities of high order spatially accurate methods for the finite volume solution of the Euler equations are presented. Two dimensional essentially non-oscillatory (ENO), k-exact, and 'dimension by dimension' ENO reconstruction operators are discussed and compared in terms of reconstruction and solution accuracy, computational cost and oscillatory behavior in supersonic flows with shocks. Inherent steady state convergence difficulties are demonstrated for adaptive stencil algorithms. An exact solution to the heat equation is used to determine reconstruction error, and the computational intensity is reflected in operation counts. Standard MUSCL differencing is included for comparison. Numerical experiments presented include the Ringleb flow for numerical accuracy and a shock reflection problem. A vortex-shock interaction demonstrates the ability of the ENO scheme to excel in simulating unsteady high-frequency flow physics.
Analytical methods under emergency conditions
Sedlet, J.
This lecture discusses methods for the radiochemical determination of internal contamination of the body under emergency conditions, here defined as a situation in which results on internal radioactive contamination are needed quickly. The purpose of speed is to determine the necessity for medical treatment to increase the natural elimination rate. Analytical methods discussed include whole-body counting, organ counting, wound monitoring, and excreta analysis. 12 references. (ACR)
Development and application of accurate analytical models for single active electron potentials
NASA Astrophysics Data System (ADS)
Miller, Michelle; Jaron-Becker, Agnieszka; Becker, Andreas
The single active electron (SAE) approximation is a theoretical model frequently employed to study scenarios in which inner-shell electrons may productively be treated as frozen spectators to a physical process of interest, and accurate analytical approximations for these potentials are sought as a useful simulation tool. Density function theory is often used to construct a SAE potential, requiring that a further approximation for the exchange correlation functional be enacted. In this study, we employ the Krieger, Li, and Iafrate (KLI) modification to the optimized-effective-potential (OEP) method to reduce the complexity of the problem to the straightforward solution of a system of linear equations through simple arguments regarding the behavior of the exchange-correlation potential in regions where a single orbital dominates. We employ this method for the solution of atomic and molecular potentials, and use the resultant curve to devise a systematic construction for highly accurate and useful analytical approximations for several systems. Supported by the U.S. Department of Energy (Grant No. DE-FG02-09ER16103), and the U.S. National Science Foundation (Graduate Research Fellowship, Grants No. PHY-1125844 and No. PHY-1068706).
Accurate paleointensities - the multi-method approach
NASA Astrophysics Data System (ADS)
de Groot, Lennart
The accuracy of models describing rapid changes in the geomagnetic field over the past millennia critically depends on the availability of reliable paleointensity estimates. Over the past decade methods to derive paleointensities from lavas (the only recorder of the geomagnetic field that is available all over the globe and through geologic times) have seen significant improvements and various alternative techniques were proposed. The 'classical' Thellier-style approach was optimized and selection criteria were defined in the 'Standard Paleointensity Definitions' (Paterson et al, 2014). The Multispecimen approach was validated and the importance of additional tests and criteria to assess Multispecimen results must be emphasized. Recently, a non-heating, relative paleointensity technique was proposed -the pseudo-Thellier protocol- which shows great potential in both accuracy and efficiency, but currently lacks a solid theoretical underpinning. Here I present work using all three of the aforementioned paleointensity methods on suites of young lavas taken from the volcanic islands of Hawaii, La Palma, Gran Canaria, Tenerife, and Terceira. Many of the sampled cooling units are <100 years old, the actual field strength at the time of cooling is therefore reasonably well known. Rather intuitively, flows that produce coherent results from two or more different paleointensity methods yield the most accurate estimates of the paleofield. Furthermore, the results for some flows pass the selection criteria for one method, but fail in other techniques. Scrutinizing and combing all acceptable results yielded reliable paleointensity estimates for 60-70% of all sampled cooling units - an exceptionally high success rate. This 'multi-method paleointensity approach' therefore has high potential to provide the much-needed paleointensities to improve geomagnetic field models for the Holocene.
7 CFR 98.4 - Analytical methods.
Code of Federal Regulations, 2014 CFR
... 7 Agriculture 3 2014-01-01 2014-01-01 false Analytical methods. 98.4 Section 98.4 Agriculture... Analytical methods. (a) The majority of analytical methods used by the USDA laboratories to perform analyses... Protection Directorate's Military Specifications, approved analytical test methods noted therein, U.S....
7 CFR 98.4 - Analytical methods.
Code of Federal Regulations, 2012 CFR
... 7 Agriculture 3 2012-01-01 2012-01-01 false Analytical methods. 98.4 Section 98.4 Agriculture....4 Analytical methods. (a) The majority of analytical methods used by the USDA laboratories to.... Army Individual Protection Directorate's Military Specifications, approved analytical test...
7 CFR 98.4 - Analytical methods.
Code of Federal Regulations, 2013 CFR
... 7 Agriculture 3 2013-01-01 2013-01-01 false Analytical methods. 98.4 Section 98.4 Agriculture....4 Analytical methods. (a) The majority of analytical methods used by the USDA laboratories to.... Army Individual Protection Directorate's Military Specifications, approved analytical test...
Fast and accurate analytical model to solve inverse problem in SHM using Lamb wave propagation
NASA Astrophysics Data System (ADS)
Poddar, Banibrata; Giurgiutiu, Victor
Lamb wave propagation is at the center of attention of researchers for structural health monitoring of thin walled structures. This is due to the fact that Lamb wave modes are natural modes of wave propagation in these structures with long travel distances and without much attenuation. This brings the prospect of monitoring large structure with few sensors/actuators. However the problem of damage detection and identification is an "inverse problem" where we do not have the luxury to know the exact mathematical model of the system. On top of that the problem is more challenging due to the confounding factors of statistical variation of the material and geometric properties. Typically this problem may also be ill posed. Due to all these complexities the direct solution of the problem of damage detection and identification in SHM is impossible. Therefore an indirect method using the solution of the "forward problem" is popular for solving the "inverse problem". This requires a fast forward problem solver. Due to the complexities involved with the forward problem of scattering of Lamb waves from damages researchers rely primarily on numerical techniques such as FEM, BEM, etc. But these methods are slow and practically impossible to be used in structural health monitoring. We have developed a fast and accurate analytical forward problem solver for this purpose. This solver, CMEP (complex modes expansion and vector projection), can simulate scattering of Lamb waves from all types of damages in thin walled structures fast and accurately to assist the inverse problem solver.
New possibilities of accurate particle characterisation by applying direct boundary models to analytical centrifugation.
Walter, Johannes; Thajudeen, Thaseem; Süss, Sebastian; Segets, Doris; Peukert, Wolfgang
Analytical centrifugation (AC) is a powerful technique for the characterisation of nanoparticles in colloidal systems. As a direct and absolute technique it requires no calibration or measurements of standards. Moreover, it offers simple experimental design and handling, high sample throughput as well as moderate investment costs. However, the full potential of AC for nanoparticle size analysis requires the development of powerful data analysis techniques. In this study we show how the application of direct boundary models to AC data opens up new possibilities in particle characterisation. An accurate analysis method, successfully applied to sedimentation data obtained by analytical ultracentrifugation (AUC) in the past, was used for the first time in analysing AC data. Unlike traditional data evaluation routines for AC using a designated number of radial positions or scans, direct boundary models consider the complete sedimentation boundary, which results in significantly better statistics. We demonstrate that meniscus fitting, as well as the correction of radius and time invariant noise significantly improves the signal-to-noise ratio and prevents the occurrence of false positives due to optical artefacts. Moreover, hydrodynamic non-ideality can be assessed by the residuals obtained from the analysis. The sedimentation coefficient distributions obtained by AC are in excellent agreement with the results from AUC. Brownian dynamics simulations were used to generate numerical sedimentation data to study the influence of diffusion on the obtained distributions. Our approach is further validated using polystyrene and silica nanoparticles. In particular, we demonstrate the strength of AC for analysing multimodal distributions by means of gold nanoparticles.
7 CFR 93.4 - Analytical methods.
Code of Federal Regulations, 2012 CFR
... PROCESSED FRUITS AND VEGETABLES Citrus Juices and Certain Citrus Products § 93.4 Analytical methods. (a) The majority of analytical methods for citrus products are found in the Official Methods of Analysis of AOAC...-2417. (b) Other analytical methods for citrus products may be used as approved by the AMS...
7 CFR 93.4 - Analytical methods.
Code of Federal Regulations, 2013 CFR
... PROCESSED FRUITS AND VEGETABLES Citrus Juices and Certain Citrus Products § 93.4 Analytical methods. (a) The majority of analytical methods for citrus products are found in the Official Methods of Analysis of AOAC...-2417. (b) Other analytical methods for citrus products may be used as approved by the AMS...
7 CFR 93.4 - Analytical methods.
Code of Federal Regulations, 2014 CFR
... PROCESSED FRUITS AND VEGETABLES Citrus Juices and Certain Citrus Products § 93.4 Analytical methods. (a) The majority of analytical methods for citrus products are found in the Official Methods of Analysis of AOAC...-2417. (b) Other analytical methods for citrus products may be used as approved by the AMS...
Acoustic-resonance spectrometry as a process analytical technology for rapid and accurate tablet identification.
Medendorp, Joseph; Lodder, Robert A
This research was performed to test the hypothesis that acoustic-resonance spectrometry (ARS) is able to rapidly and accurately differentiate tablets of similar size and shape. The US Food and Drug Administration frequently orders recalls of tablets because of labeling problems (eg, the wrong tablet appears in a bottle). A high-throughput, nondestructive method of online analysis and label comparison before shipping could obviate the need for recall or disposal of a batch of mislabeled drugs, thus saving a company considerable expense and preventing a major safety risk. ARS is accurate and precise as well as inexpensive and nondestructive, and the sensor, is constructed from readily available parts, suggesting utility as a process analytical technology (PAT). To test the classification ability of ARS, 5 common household tablets of similar size and shape were chosen for analysis (aspirin, ibuprofen, acetaminophen, vitamin C, and vitamin B12). The measures of successful tablet identification were intertablet distances in nonparametric multidimensional standard deviations (MSDs) greater than, 3 and intratablet MSDs less than 3, as calculated from an extended bootstrap erroradjusted single sample technique. The average intertablet MSD was 65.64, while the average intratablet MSD from cross-validation was 1.91. Tablet mass (r(2)=0.977), thickness (r(2)=0.977), and density (r(2)=0.900) were measured very accurately from the AR spectra, each with less than 10% error. Tablets were identified correctly with only 250 ms data collection time. These results demonstrate that ARS effectively identified and characterized the 5 types of tablets and could potentially serve as a rapid high-throughput online pharmaceutical sensor.
An Accurate and Efficient Method of Computing Differential Seismograms
NASA Astrophysics Data System (ADS)
Hu, S.; Zhu, L.
Inversion of seismic waveforms for Earth structure usually requires computing partial derivatives of seismograms with respect to velocity model parameters. We developed an accurate and efficient method to calculate differential seismograms for multi-layered elastic media, based on the Thompson-Haskell propagator matrix technique. We first derived the partial derivatives of the Haskell matrix and its compound matrix respect to the layer parameters (P wave velocity, shear wave velocity and density). We then derived the partial derivatives of surface displacement kernels in the frequency-wavenumber domain. The differential seismograms are obtained by using the frequency-wavenumber double integration method. The implementation is computationally efficient and the total computing time is proportional to the time of computing the seismogram itself, i.e., independent of the number of layers in the model. We verified the correctness of results by comparing with differential seismograms computed using the finite differences method. Our results are more accurate because of the analytical nature of the derived partial derivatives.
7 CFR 94.303 - Analytical methods.
Code of Federal Regulations, 2012 CFR
... 7 Agriculture 3 2012-01-01 2012-01-01 false Analytical methods. 94.303 Section 94.303 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... POULTRY AND EGG PRODUCTS Processed Poultry Products § 94.303 Analytical methods. The analytical...
7 CFR 94.303 - Analytical methods.
Code of Federal Regulations, 2014 CFR
... 7 Agriculture 3 2014-01-01 2014-01-01 false Analytical methods. 94.303 Section 94.303 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... POULTRY AND EGG PRODUCTS Processed Poultry Products § 94.303 Analytical methods. The analytical...
7 CFR 94.303 - Analytical methods.
Code of Federal Regulations, 2013 CFR
... 7 Agriculture 3 2013-01-01 2013-01-01 false Analytical methods. 94.303 Section 94.303 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... POULTRY AND EGG PRODUCTS Processed Poultry Products § 94.303 Analytical methods. The analytical...
7 CFR 94.303 - Analytical methods.
Code of Federal Regulations, 2011 CFR
... 7 Agriculture 3 2011-01-01 2011-01-01 false Analytical methods. 94.303 Section 94.303 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... POULTRY AND EGG PRODUCTS Processed Poultry Products § 94.303 Analytical methods. The analytical...
7 CFR 94.303 - Analytical methods.
Code of Federal Regulations, 2010 CFR
... 7 Agriculture 3 2010-01-01 2010-01-01 false Analytical methods. 94.303 Section 94.303 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... POULTRY AND EGG PRODUCTS Processed Poultry Products § 94.303 Analytical methods. The analytical...
Second Order Accurate Finite Difference Methods
a study of the idealized material has direct applications to some polymer structures (4, 5). Wave propagation studies in hyperelastic materials have...34Acceleration Wave Propagation in Hyperelastic Rods of Variable Cross- section. Wave Motion, V4, pp. 173-180, 1982. 9. M. Hirao and N. Sugimoto...Waves in Hyperelastic Road," Quart. Appl. Math., V37, pp. 377-399, 1979. 11. G. A. Sod. "A Survey of Several Finite Difference Methods for Systems of
An analytic model for accurate spring constant calibration of rectangular atomic force microscope cantilevers.
Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang
Spring constant calibration of the atomic force microscope (AFM) cantilever is of fundamental importance for quantifying the force between the AFM cantilever tip and the sample. The calibration within the framework of thin plate theory undoubtedly has a higher accuracy and broader scope than that within the well-established beam theory. However, thin plate theory-based accurate analytic determination of the constant has been perceived as an extremely difficult issue. In this paper, we implement the thin plate theory-based analytic modeling for the static behavior of rectangular AFM cantilevers, which reveals that the three-dimensional effect and Poisson effect play important roles in accurate determination of the spring constants. A quantitative scaling law is found that the normalized spring constant depends only on the Poisson's ratio, normalized dimension and normalized load coordinate. Both the literature and our refined finite element model validate the present results. The developed model is expected to serve as the benchmark for accurate calibration of rectangular AFM cantilevers.
Analytical Methods for Exoplanet Imaging Detection Metrics
NASA Astrophysics Data System (ADS)
Garrett, Daniel; Savransky, Dmitry
When designing or simulating exoplanet-finding missions, a selection metric must be used to choose which target stars will be observed. For direct imaging missions, the metric is a function of the planet-star separation and flux ratio as constrained by the instrument's inner and outer working angles and contrast. We present analytical methods for the calculation of two detection metrics: completeness and depth of search. While Monte Carlo methods have typically been used for determining each of these detection metrics, implementing analytical methods in simulation or early stage design yields quicker, more accurate calculations.Completeness is the probability of detecting a planet belonging to the planet population of interest. This metric requires assumptions to be made about the planet population. Probability density functions are assumed for the planetary parameters of semi-major axis, eccentricity, geometric albedo, and planetary radius. Planet-star separation and difference in brightness magnitude or contrast are written as functions of these parameters. A change of variables is performed to get a joint probability density function of planet-star separation and difference in brightness magnitude or contrast. This joint probability density function is marginalized subject to the constraints of the instrument to yield the probability of detecting a planet belonging to the population of interest.Depth of search for direct imaging is the sum of the probability of detecting a planet of given semi-major axis and planetary radius by a given instrument for a target list. This metric does not depend on assumed planet population parameter distributions. A two-dimensional grid of probabilities is generated for each star in the target list. The probability at each point in the grid is found by marginalizing a probability density function of contrast given constant values of semi-major axis and planetary radius subject to the constraints of the instrument.
7 CFR 94.103 - Analytical methods.
Code of Federal Regulations, 2013 CFR
... 7 Agriculture 3 2013-01-01 2013-01-01 false Analytical methods. 94.103 Section 94.103 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... POULTRY AND EGG PRODUCTS Voluntary Analyses of Egg Products § 94.103 Analytical methods. The...
7 CFR 94.103 - Analytical methods.
Code of Federal Regulations, 2014 CFR
... 7 Agriculture 3 2014-01-01 2014-01-01 false Analytical methods. 94.103 Section 94.103 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... POULTRY AND EGG PRODUCTS Voluntary Analyses of Egg Products § 94.103 Analytical methods. The...
7 CFR 94.103 - Analytical methods.
Code of Federal Regulations, 2012 CFR
... 7 Agriculture 3 2012-01-01 2012-01-01 false Analytical methods. 94.103 Section 94.103 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... POULTRY AND EGG PRODUCTS Voluntary Analyses of Egg Products § 94.103 Analytical methods. The...
Method of identity analyte-binding peptides
Kauvar, L.M.
A method for affinity chromatography or adsorption of a designated analyte utilizes a paralog as the affinity partner. The immobilized paralog can be used in purification or analysis of the analyte; the paralog can also be used as a substitute for antibody in an immunoassay. The paralog is identified by screening candidate peptide sequences of 4--20 amino acids for specific affinity to the analyte. 5 figs.
Method of identity analyte-binding peptides
Kauvar, Lawrence M.
A method for affinity chromatography or adsorption of a designated analyte utilizes a paralog as the affinity partner. The immobilized paralog can be used in purification or analysis of the analyte; the paralog can also be used as a substitute for antibody in an immunoassay. The paralog is identified by screening candidate peptide sequences of 4-20 amino acids for specific affinity to the analyte.
Optimisation of octadecyl (C18) sorbent amount in QuEChERS analytical method for the accurate organophosphorus pesticide residues determination in low-fatty baby foods with response surface methodology.
Georgakopoulos, Panagiotis; Zachari, Rodanthi; Mataragas, Marios; Athanasopoulos, Panagiotis; Drosinos, Eleftherios H; Skandamis, Panagiotis N
Three low-fatty baby food matrices were fortified with 0.01-0.2mg/kg of phorate, diazinon, chlorpyrifos and methidathion. A "quick, easy, cheap, effective, rugged and safe" - like method (QuEChERS) was used. Quantities of octadecyl (C18) sorbent differed with fortification level and matrix fat, based on central composite experimental design. Quantification was performed by Nitrogen-Phosphorus Detector gas chromatography, using matrix-matched standards. The highest (p<0.05) recoveries were observed for methidathion, the lowest fortification levels for a specific C18 amount and the lowest C18 amounts. In meals containing vegetables (1.9% fat) and lamb (3.0% fat), 180-210mg C18 gave recoveries from 67.0% to 105.0% and absence of co-extracts. Yogurt dessert (4.5% fat) required 200-230mg C18 for similar results. Recoveries could also be predicted with <20% error by a polynomial model. The results suggest that modified QuEChERS could be effectively used in the low-fatty baby meals residue analysis.
Method and apparatus for detecting an analyte
Allendorf, Mark D [Pleasanton, CA; Hesketh, Peter J [Atlanta, GA
We describe the use of coordination polymers (CP) as coatings on microcantilevers for the detection of chemical analytes. CP exhibit changes in unit cell parameters upon adsorption of analytes, which will induce a stress in a static microcantilever upon which a CP layer is deposited. We also describe fabrication methods for depositing CP layers on surfaces.
Matrix Methods to Analytic Geometry.
ERIC Educational Resources Information Center
Bandy, C.
The use of basis matrix methods to rotate axes is detailed. It is felt that persons who have need to rotate axes often will find that the matrix method saves considerable work. One drawback is that most students first learning to rotate axes will not yet have studied linear algebra. (MP)
Differential equation based method for accurate approximations in optimization
NASA Technical Reports Server (NTRS)
Pritchard, Jocelyn I.; Adelman, Howard M.
A method to efficiently and accurately approximate the effect of design changes on structural response is described. The key to this method is to interpret sensitivity equations as differential equations that may be solved explicitly for closed form approximations, hence, the method is denoted the Differential Equation Based (DEB) method. Approximations were developed for vibration frequencies, mode shapes and static displacements. The DEB approximation method was applied to a cantilever beam and results compared with the commonly-used linear Taylor series approximations and exact solutions. The test calculations involved perturbing the height, width, cross-sectional area, tip mass, and bending inertia of the beam. The DEB method proved to be very accurate, and in most cases, was more accurate than the linear Taylor series approximation. The method is applicable to simultaneous perturbation of several design variables. Also, the approximations may be used to calculate other system response quantities. For example, the approximations for displacements are used to approximate bending stresses.
Highly accurate analytic formulae for projectile motion subjected to quadratic drag
NASA Astrophysics Data System (ADS)
Turkyilmazoglu, Mustafa
The classical phenomenon of motion of a projectile fired (thrown) into the horizon through resistive air charging a quadratic drag onto the object is revisited in this paper. No exact solution is known that describes the full physical event under such an exerted resistance force. Finding elegant analytical approximations for the most interesting engineering features of dynamical behavior of the projectile is the principal target. Within this purpose, some analytical explicit expressions are derived that accurately predict the maximum height, its arrival time as well as the flight range of the projectile at the highest ascent. The most significant property of the proposed formulas is that they are not restricted to the initial speed and firing angle of the object, nor to the drag coefficient of the medium. In combination with the available approximations in the literature, it is possible to gain information about the flight and complete the picture of a trajectory with high precision, without having to numerically simulate the full governing equations of motion.
Two-wavelength interferometry: extended range and accurate optical path difference analytical estimator.
Houairi, Kamel; Cassaing, Frédéric
Two-wavelength interferometry combines measurement at two wavelengths lambda(1) and lambda(2) in order to increase the unambiguous range (UR) for the measurement of an optical path difference. With the usual algorithm, the UR is equal to the synthetic wavelength Lambda=lambda(1)lambda(2)/|lambda(1)-lambda(2)|, and the accuracy is a fraction of Lambda. We propose here a new analytical algorithm based on arithmetic properties, allowing estimation of the absolute fringe order of interference in a noniterative way. This algorithm has nice properties compared with the usual algorithm: it is at least as accurate as the most accurate measurement at one wavelength, whereas the UR is extended to several times the synthetic wavelength. The analysis presented shows how the actual UR depends on the wavelengths and different sources of error. The simulations presented are confirmed by experimental results, showing that the new algorithm has enabled us to reach an UR of 17.3 microm, much larger than the synthetic wavelength, which is only Lambda=2.2 microm. Applications to metrology and fringe tracking are discussed.
A Simple and Accurate Method for Measuring Enzyme Activity.
ERIC Educational Resources Information Center
Yip, Din-Yan
Presents methods commonly used for investigating enzyme activity using catalase and presents a new method for measuring catalase activity that is more reliable and accurate. Provides results that are readily reproduced and quantified. Can also be used for investigations of enzyme properties such as the effects of temperature, pH, inhibitors,…
Quality by design compliant analytical method validation.
Rozet, E; Ziemons, E; Marini, R D; Boulanger, B; Hubert, Ph
The concept of quality by design (QbD) has recently been adopted for the development of pharmaceutical processes to ensure a predefined product quality. Focus on applying the QbD concept to analytical methods has increased as it is fully integrated within pharmaceutical processes and especially in the process control strategy. In addition, there is the need to switch from the traditional checklist implementation of method validation requirements to a method validation approach that should provide a high level of assurance of method reliability in order to adequately measure the critical quality attributes (CQAs) of the drug product. The intended purpose of analytical methods is directly related to the final decision that will be made with the results generated by these methods under study. The final aim for quantitative impurity assays is to correctly declare a substance or a product as compliant with respect to the corresponding product specifications. For content assays, the aim is similar: making the correct decision about product compliance with respect to their specification limits. It is for these reasons that the fitness of these methods should be defined, as they are key elements of the analytical target profile (ATP). Therefore, validation criteria, corresponding acceptance limits, and method validation decision approaches should be settled in accordance with the final use of these analytical procedures. This work proposes a general methodology to achieve this in order to align method validation within the QbD framework and philosophy. β-Expectation tolerance intervals are implemented to decide about the validity of analytical methods. The proposed methodology is also applied to the validation of analytical procedures dedicated to the quantification of impurities or active product ingredients (API) in drug substances or drug products, and its applicability is illustrated with two case studies.
Methods of Analyte Concentration in a Capillary
NASA Astrophysics Data System (ADS)
Kubalczyk, Paweł; Bald, Edward
Online sample concentration techniques in capillary electrophoresis separations have rapidly grown in popularity over the past few years. During the concentration process, diluted analytes in long injected sample are concentrated into a short zone, then the analytes are separated and detected. A large number of contributions have been published on this subject proposing many names for procedures utilizing the same concentration principles. This chapter brings a unified view on concentration, describes the basic principles utilized, and shows a list of recognized current operational procedures. Several online concentration methods based on velocity gradient techniques are described, in which the electrophoretic velocities of the analyte molecules are manipulated by field amplification, sweeping and isotachophoretic migration, resulting in the online concentration of the analyte.
Analytical Methods for Trace Metals. Training Manual.
ERIC Educational Resources Information Center
Office of Water Program Operations (EPA), Cincinnati, OH. National Training and Operational Technology Center.
This training manual presents material on the theoretical concepts involved in the methods listed in the Federal Register as approved for determination of trace metals. Emphasis is on laboratory operations. This course is intended for chemists and technicians with little or no experience in analytical methods for trace metals. Students should have…
Statistically qualified neuro-analytic failure detection method and system
Vilim, Richard B.; Garcia, Humberto E.; Chen, Frederick W.
An apparatus and method for monitoring a process involve development and application of a statistically qualified neuro-analytic (SQNA) model to accurately and reliably identify process change. The development of the SQNA model is accomplished in two stages: deterministic model adaption and stochastic model modification of the deterministic model adaptation. Deterministic model adaption involves formulating an analytic model of the process representing known process characteristics, augmenting the analytic model with a neural network that captures unknown process characteristics, and training the resulting neuro-analytic model by adjusting the neural network weights according to a unique scaled equation error minimization technique. Stochastic model modification involves qualifying any remaining uncertainty in the trained neuro-analytic model by formulating a likelihood function, given an error propagation equation, for computing the probability that the neuro-analytic model generates measured process output. Preferably, the developed SQNA model is validated using known sequential probability ratio tests and applied to the process as an on-line monitoring system. Illustrative of the method and apparatus, the method is applied to a peristaltic pump system.
An accurate analytic representation of the temperature dependence of nonresonant nuclear reaction rate coefficients
NASA Astrophysics Data System (ADS)
Shizgal, Bernie D.
There has been intense interest for several decades by different research groups to accurately model the temperature dependence of a large number of nuclear reaction rate coefficients for both light and heavy nuclides. The rate coefficient, k(T) , is given by the Maxwellian average of the reactive cross section expressed in terms of the astrophysical factor, S(E) , which for nonresonant reactions is generally written as a power series in the relative energy E. A computationally efficient algorithm for the temperature dependence of nuclear reaction rate coefficients is required for fusion reactor research and for models of nucleosynthesis and stellar evolution. In this paper, an accurate analytical expression for the temperature dependence of nuclear reaction rate coefficients is provided in terms of τ = 3(b / 2) 2/3 or equivalently, T - 1/3 , where b = B /√{kB T }, B is the Gamow factor and kB is the Boltzmann constant. The methodology is appropriate for all nonresonant nuclear reactions for which S(E) can be represented as a power series in E. The explicit expression for the rate coefficient versus temperature is derived with the asymptotic expansions of the moments of w(E) = exp(- E /kB T - B /√{ E }) in terms of τ. The zeroth order moment is the familiar Gaussian approximation to the rate coefficient. Results are reported for the representative reactions D(d, p)T, D(d, n)3He and 7Li(p, α) α and compared with several different fitting procedures reported in the literature.
Quantifying Accurate Calorie Estimation Using the "Think Aloud" Method
ERIC Educational Resources Information Center
Holmstrup, Michael E.; Stearns-Bruening, Kay; Rozelle, Jeffrey
Objective: Clients often have limited time in a nutrition education setting. An improved understanding of the strategies used to accurately estimate calories may help to identify areas of focused instruction to improve nutrition knowledge. Methods: A "Think Aloud" exercise was recorded during the estimation of calories in a standard dinner meal…
Analytical methods for quantitation of prenylated flavonoids from hops.
Nikolić, Dejan; van Breemen, Richard B
The female flowers of hops (Humulus lupulus L.) are used as a flavoring agent in the brewing industry. There is growing interest in possible health benefits of hops, particularly as estrogenic and chemopreventive agents. Among the possible active constituents, most of the attention has focused on prenylated flavonoids, which can chemically be classified as prenylated chalcones and prenylated flavanones. Among chalcones, xanthohumol (XN) and desmethylxanthohumol (DMX) have been the most studied, while among flavanones, 8-prenylnaringenin (8-PN) and 6-prenylnaringenin (6-PN) have received the most attention. Because of the interest in medicinal properties of prenylated flavonoids, there is demand for accurate, reproducible and sensitive analytical methods to quantify these compounds in various matrices. Such methods are needed, for example, for quality control and standardization of hop extracts, measurement of the content of prenylated flavonoids in beer, and to determine pharmacokinetic properties of prenylated flavonoids in animals and humans. This review summarizes currently available analytical methods for quantitative analysis of the major prenylated flavonoids, with an emphasis on the LC-MS and LC-MS-MS methods and their recent applications to biomedical research on hops. This review covers all methods in which prenylated flavonoids have been measured, either as the primary analytes or as a part of a larger group of analytes. The review also discusses methodological issues relating to the quantitative analysis of these compounds regardless of the chosen analytical approach.
Analytical methods for quantitation of prenylated flavonoids from hops
Nikolić, Dejan; van Breemen, Richard B.
The female flowers of hops (Humulus lupulus L.) are used as a flavoring agent in the brewing industry. There is growing interest in possible health benefits of hops, particularly as estrogenic and chemopreventive agents. Among the possible active constituents, most of the attention has focused on prenylated flavonoids, which can chemically be classified as prenylated chalcones and prenylated flavanones. Among chalcones, xanthohumol (XN) and desmethylxanthohumol (DMX) have been the most studied, while among flavanones, 8-prenylnaringenin (8-PN) and 6-prenylnaringenin (6-PN) have received the most attention. Because of the interest in medicinal properties of prenylated flavonoids, there is demand for accurate, reproducible and sensitive analytical methods to quantify these compounds in various matrices. Such methods are needed, for example, for quality control and standardization of hop extracts, measurement of the content of prenylated flavonoids in beer, and to determine pharmacokinetic properties of prenylated flavonoids in animals and humans. This review summarizes currently available analytical methods for quantitative analysis of the major prenylated flavonoids, with an emphasis on the LC-MS and LC-MS-MS methods and their recent applications to biomedical research on hops. This review covers all methods in which prenylated flavonoids have been measured, either as the primary analytes or as a part of a larger group of analytes. The review also discusses methodological issues relating to the quantitative analysis of these compounds regardless of the chosen analytical approach. PMID:24077106
Accurate upwind-monotone (nonoscillatory) methods for conservation laws
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
The well known MUSCL scheme of Van Leer is constructed using a piecewise linear approximation. The MUSCL scheme is second order accurate at the smooth part of the solution except at extrema where the accuracy degenerates to first order due to the monotonicity constraint. To construct accurate schemes which are free from oscillations, the author introduces the concept of upwind monotonicity. Several classes of schemes, which are upwind monotone and of uniform second or third order accuracy are then presented. Results for advection with constant speed are shown. It is also shown that the new scheme compares favorably with state of the art methods.
Differential equation based method for accurate approximations in optimization
NASA Technical Reports Server (NTRS)
Pritchard, Jocelyn I.; Adelman, Howard M.
This paper describes a method to efficiently and accurately approximate the effect of design changes on structural response. The key to this new method is to interpret sensitivity equations as differential equations that may be solved explicitly for closed form approximations, hence, the method is denoted the Differential Equation Based (DEB) method. Approximations were developed for vibration frequencies, mode shapes and static displacements. The DEB approximation method was applied to a cantilever beam and results compared with the commonly-used linear Taylor series approximations and exact solutions. The test calculations involved perturbing the height, width, cross-sectional area, tip mass, and bending inertia of the beam. The DEB method proved to be very accurate, and in msot cases, was more accurate than the linear Taylor series approximation. The method is applicable to simultaneous perturbation of several design variables. Also, the approximations may be used to calculate other system response quantities. For example, the approximations for displacement are used to approximate bending stresses.
Analytical Grid Generation for accurate representation of clearances in CFD for Screw Machines
NASA Astrophysics Data System (ADS)
Rane, S.; Kovačević, A.; Stošić, N.
One of the major factors affecting the performance prediction of twin screw compressors by use of computational fluid dynamics (CFD) is the accuracy with which the leakage gaps are captured by the discretization methods. The accuracy of mapping leakage flows can be improved by increasing the number of grid points on the profile. However, this method faces limitations when it comes to the complex deforming domains of a twin screw compressor because the computational time increases tremendously. In order to address this problem, an analytical grid distribution procedure is formulated that can independently refine the region of high importance for leakage flows in the interlobe space. This paper describes the procedure of analytical grid generation with the refined mesh in the interlobe area and presents a test case to show the influence of the mesh refinement in that area on the performance prediction. It is shown that by using this method, the flow domains in the vicinity of the interlobe gap and the blowhole area are refined which improves accuracy of leakage flow predictions.
Accurate Method for Determining Adhesion of Cantilever Beams
Michalske, T.A.; de Boer, M.P.
Using surface micromachined samples, we demonstrate the accurate measurement of cantilever beam adhesion by using test structures which are adhered over long attachment lengths. We show that this configuration has a deep energy well, such that a fracture equilibrium is easily reached. When compared to the commonly used method of determining the shortest attached beam, the present method is much less sensitive to variations in surface topography or to details of capillary drying.
Mapping methods for computationally efficient and accurate structural reliability
NASA Technical Reports Server (NTRS)
Shiao, Michael C.; Chamis, Christos C.
Mapping methods are developed to improve the accuracy and efficiency of probabilistic structural analyses with coarse finite element meshes. The mapping methods consist of: (1) deterministic structural analyses with fine (convergent) finite element meshes, (2) probabilistic structural analyses with coarse finite element meshes, (3) the relationship between the probabilistic structural responses from the coarse and fine finite element meshes, and (4) a probabilistic mapping. The results show that the scatter of the probabilistic structural responses and structural reliability can be accurately predicted using a coarse finite element model with proper mapping methods. Therefore, large structures can be analyzed probabilistically using finite element methods.
7 CFR 94.103 - Analytical methods.
Code of Federal Regulations, 2010 CFR
... 7 Agriculture 3 2010-01-01 2010-01-01 false Analytical methods. 94.103 Section 94.103 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards, Inspections, Marketing Practices), DEPARTMENT OF AGRICULTURE (CONTINUED) COMMODITY LABORATORY TESTING...
7 CFR 94.103 - Analytical methods.
Code of Federal Regulations, 2011 CFR
... 7 Agriculture 3 2011-01-01 2011-01-01 false Analytical methods. 94.103 Section 94.103 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards, Inspections, Marketing Practices), DEPARTMENT OF AGRICULTURE (CONTINUED) COMMODITY LABORATORY TESTING...
7 CFR 93.4 - Analytical methods.
Code of Federal Regulations, 2010 CFR
... 7 Agriculture 3 2010-01-01 2010-01-01 false Analytical methods. 93.4 Section 93.4 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards, Inspections, Marketing Practices), DEPARTMENT OF AGRICULTURE (CONTINUED) COMMODITY LABORATORY TESTING...
7 CFR 93.4 - Analytical methods.
Code of Federal Regulations, 2011 CFR
... 7 Agriculture 3 2011-01-01 2011-01-01 false Analytical methods. 93.4 Section 93.4 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards, Inspections, Marketing Practices), DEPARTMENT OF AGRICULTURE (CONTINUED) COMMODITY LABORATORY TESTING...
Biodiesel Analytical Methods: August 2002--January 2004
Van Gerpen, J.; Shanks, B.; Pruszko, R.; Clements, D.; Knothe, G.
Biodiesel is an alternative fuel for diesel engines that is receiving great attention worldwide. The material contained in this book is intended to provide the reader with information about biodiesel engines and fuels, analytical methods used to measure fuel properties, and specifications for biodiesel quality control.
40 CFR 141.89 - Analytical methods.
Code of Federal Regulations, 2012 CFR
....89 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Control of Lead and Copper § 141.89 Analytical methods. (a) Analyses for lead, copper, pH, conductivity, calcium, alkalinity, orthophosphate, silica, and...
40 CFR 141.89 - Analytical methods.
Code of Federal Regulations, 2013 CFR
....89 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Control of Lead and Copper § 141.89 Analytical methods. (a) Analyses for lead, copper, pH, conductivity, calcium, alkalinity, orthophosphate, silica, and...
7 CFR 93.13 - Analytical methods.
Code of Federal Regulations, 2014 CFR
... PROCESSED FRUITS AND VEGETABLES Peanuts, Tree Nuts, Corn and Other Oilseeds § 93.13 Analytical methods. Official analyses for peanuts, nuts, corn, oilseeds, and related vegetable oils are found in the following... Recommended Practices of the American Oil Chemists' Society (AOCS), American Oil Chemists' Society, P.O....
7 CFR 93.13 - Analytical methods.
Code of Federal Regulations, 2012 CFR
... PROCESSED FRUITS AND VEGETABLES Peanuts, Tree Nuts, Corn and Other Oilseeds § 93.13 Analytical methods. Official analyses for peanuts, nuts, corn, oilseeds, and related vegetable oils are found in the following... Recommended Practices of the American Oil Chemists' Society (AOCS), American Oil Chemists' Society, P.O....
7 CFR 93.13 - Analytical methods.
Code of Federal Regulations, 2011 CFR
... PROCESSED FRUITS AND VEGETABLES Peanuts, Tree Nuts, Corn and Other Oilseeds § 93.13 Analytical methods. Official analyses for peanuts, nuts, corn, oilseeds, and related vegetable oils are found in the following... Recommended Practices of the American Oil Chemists' Society (AOCS), American Oil Chemists' Society, P.O....
7 CFR 93.13 - Analytical methods.
Code of Federal Regulations, 2013 CFR
... PROCESSED FRUITS AND VEGETABLES Peanuts, Tree Nuts, Corn and Other Oilseeds § 93.13 Analytical methods. Official analyses for peanuts, nuts, corn, oilseeds, and related vegetable oils are found in the following... Recommended Practices of the American Oil Chemists' Society (AOCS), American Oil Chemists' Society, P.O....
7 CFR 93.13 - Analytical methods.
Code of Federal Regulations, 2010 CFR
... PROCESSED FRUITS AND VEGETABLES Peanuts, Tree Nuts, Corn and Other Oilseeds § 93.13 Analytical methods. Official analyses for peanuts, nuts, corn, oilseeds, and related vegetable oils are found in the following... Recommended Practices of the American Oil Chemists' Society (AOCS), American Oil Chemists' Society, P.O....
40 CFR 141.89 - Analytical methods.
Code of Federal Regulations, 2014 CFR
...) NATIONAL PRIMARY DRINKING WATER REGULATIONS Control of Lead and Copper § 141.89 Analytical methods. (a) Analyses for lead, copper, pH, conductivity, calcium, alkalinity, orthophosphate, silica, and temperature... State. Analyses under this section for lead and copper shall only be conducted by laboratories that...
Prioritizing pesticide compounds for analytical methods development
Norman, Julia E.; Kuivila, Kathryn; Nowell, Lisa H.
The U.S. Geological Survey (USGS) has a periodic need to re-evaluate pesticide compounds in terms of priorities for inclusion in monitoring and studies and, thus, must also assess the current analytical capabilities for pesticide detection. To meet this need, a strategy has been developed to prioritize pesticides and degradates for analytical methods development. Screening procedures were developed to separately prioritize pesticide compounds in water and sediment. The procedures evaluate pesticide compounds in existing USGS analytical methods for water and sediment and compounds for which recent agricultural-use information was available. Measured occurrence (detection frequency and concentrations) in water and sediment, predicted concentrations in water and predicted likelihood of occurrence in sediment, potential toxicity to aquatic life or humans, and priorities of other agencies or organizations, regulatory or otherwise, were considered. Several existing strategies for prioritizing chemicals for various purposes were reviewed, including those that identify and prioritize persistent, bioaccumulative, and toxic compounds, and those that determine candidates for future regulation of drinking-water contaminants. The systematic procedures developed and used in this study rely on concepts common to many previously established strategies. The evaluation of pesticide compounds resulted in the classification of compounds into three groups: Tier 1 for high priority compounds, Tier 2 for moderate priority compounds, and Tier 3 for low priority compounds. For water, a total of 247 pesticide compounds were classified as Tier 1 and, thus, are high priority for inclusion in analytical methods for monitoring and studies. Of these, about three-quarters are included in some USGS analytical method; however, many of these compounds are included on research methods that are expensive and for which there are few data on environmental samples. The remaining quarter of Tier 1
Analytic Gradients for the Effective Fragment Molecular Orbital Method.
Bertoni, Colleen; Gordon, Mark S
The analytic gradient for the Coulomb, polarization, exchange-repulsion, and dispersion terms of the fully integrated effective fragment molecular orbital (EFMO) method is derived and the implementation is discussed. The derivation of the EFMO analytic gradient is more complicated than that for the effective fragment potential (EFP) gradient, because the geometry of each EFP fragment is flexible (not rigid) in the EFMO approach. The accuracy of the gradient is demonstrated by comparing the EFMO analytic gradient with the numeric gradient for several systems, and by assessing the energy conservation during an EFMO NVE ensemble molecular dynamics simulation of water molecules. In addition to facilitating accurate EFMO geometry optimizations, this allows calculations with flexible EFP fragments to be performed.
A New Analytic Alignment Method for a SINS.
Tan, Caiming; Zhu, Xinhua; Su, Yan; Wang, Yu; Wu, Zhiqiang; Gu, Dongbing
Analytic alignment is a type of self-alignment for a Strapdown inertial navigation system (SINS) that is based solely on two non-collinear vectors, which are the gravity and rotational velocity vectors of the Earth at a stationary base on the ground. The attitude of the SINS with respect to the Earth can be obtained directly using the TRIAD algorithm given two vector measurements. For a traditional analytic coarse alignment, all six outputs from the inertial measurement unit (IMU) are used to compute the attitude. In this study, a novel analytic alignment method called selective alignment is presented. This method uses only three outputs of the IMU and a few properties from the remaining outputs such as the sign and the approximate value to calculate the attitude. Simulations and experimental results demonstrate the validity of this method, and the precision of yaw is improved using the selective alignment method compared to the traditional analytic coarse alignment method in the vehicle experiment. The selective alignment principle provides an accurate relationship between the outputs and the attitude of the SINS relative to the Earth for a stationary base, and it is an extension of the TRIAD algorithm. The selective alignment approach has potential uses in applications such as self-alignment, fault detection, and self-calibration.
Accurate retention time determination of co-eluting proteins in analytical chromatography by means of spectral data.
Dismer, Florian; Hansen, Sigrid; Oelmeier, Stefan Alexander; Hubbuch, Jürgen
Chromatography is the method of choice for the separation of proteins, at both analytical and preparative scale. Orthogonal purification strategies for industrial use can easily be implemented by combining different modes of adsorption. Nevertheless, with flexibility comes the freedom of choice and optimal conditions for consecutive steps need to be identified in a robust and reproducible fashion. One way to address this issue is the use of mathematical models that allow for an in silico process optimization. Although this has been shown to work, model parameter estimation for complex feedstocks becomes the bottleneck in process development. An integral part of parameter assessment is the accurate measurement of retention times in a series of isocratic or gradient elution experiments. As high-resolution analytics that can differentiate between proteins are often not readily available, pure protein is mandatory for parameter determination. In this work, we present an approach that has the potential to solve this problem. Based on the uniqueness of UV absorption spectra of proteins, we were able to accurately measure retention times in systems of up to four co-eluting compounds. The presented approach is calibration-free, meaning that prior knowledge of pure component absorption spectra is not required. Actually, pure protein spectra can be determined from co-eluting proteins as part of the methodology. The approach was tested for size-exclusion chromatograms of 38 mixtures of co-eluting proteins. Retention times were determined with an average error of 0.6 s (1.6% of average peak width), approximated and measured pure component spectra showed an average coefficient of correlation of 0.992.
CT Scan Method Accurately Assesses Humeral Head Retroversion
Boileau, P.; Mazzoleni, N.; Walch, G.; Urien, J. P.
Humeral head retroversion is not well described with the literature controversial regarding accuracy of measurement methods and ranges of normal values. We therefore determined normal humeral head retroversion and assessed the measurement methods. We measured retroversion in 65 cadaveric humeri, including 52 paired specimens, using four methods: radiographic, computed tomography (CT) scan, computer-assisted, and direct methods. We also assessed the distance between the humeral head central axis and the bicipital groove. CT scan methods accurately measure humeral head retroversion, while radiographic methods do not. The retroversion with respect to the transepicondylar axis was 17.9° and 21.5° with respect to the trochlear tangent axis. The difference between the right and left humeri was 8.9°. The distance between the central axis of the humeral head and the bicipital groove was 7.0 mm and was consistent between right and left humeri. Humeral head retroversion may be most accurately obtained using the patient's own anatomic landmarks or, if not, identifiable retroversion as measured by those landmarks on contralateral side or the bicipital groove. PMID:18264854
An analytical fit to an accurate ab initio ( 1A 1) potential surface of H 2O
NASA Astrophysics Data System (ADS)
Redmon, Michael J.; Schatz, George C.
The accurate ab initio MBPT quartic force field of Bartlett, Shavitt and Purvis has been fit to an analytical function using a method developed by Sorbie and Murrell (SM). An analysis of this surface indicates that it describes most properties of the H 2O molecule very accurately, including an exact fit to the MBPT force field, and very close to the correct energy difference between linear and equilibrium H 2O. The surface also reproduces the correct diatomic potentials in all dissociative regions, but some aspects of it in the "near asymptotic" O( 1D) + H 2 region are not quantitatively described. For example, the potential seems to be too attractive at long range for O + H 2 encounters, although it does have the correct minimum energy path geometry and correctly exhibits no barrier to O atom insertion. Comparisons of this surface with one previously developed by SM indicates generally good agreement between the two, especially after some of the SM parameters were corrected, using a numerical differentiation algorithm to evaluate them. A surface developed by Schinke and Lester (SL) is more realistic than outs in the O( 1D) + H 2 regions, but less quantitative in its description of the H 2O molecule. Overall, the present fit appears to be both realistic and quantitative for energy displacements up to 3-4; eV from H 2O equilibrium, and should therefore be useful for spectroscopic and collision dynamics studies involving H 2O.
Secondary waste minimization in analytical methods
Green, D.W.; Smith, L.L.; Crain, J.S.; Boparai, A.S.; Kiely, J.T.; Yaeger, J.S.; Schilling, J.B.
The characterization phase of site remediation is an important and costly part of the process. Because toxic solvents and other hazardous materials are used in common analytical methods, characterization is also a source of new waste, including mixed waste. Alternative analytical methods can reduce the volume or form of hazardous waste produced either in the sample preparation step or in the measurement step. The authors are examining alternative methods in the areas of inorganic, radiological, and organic analysis. For determining inorganic constituents, alternative methods were studied for sample introduction into inductively coupled plasma spectrometers. Figures of merit for the alternative methods, as well as their associated waste volumes, were compared with the conventional approaches. In the radiological area, the authors are comparing conventional methods for gross {alpha}/{beta} measurements of soil samples to an alternative method that uses high-pressure microwave dissolution. For determination of organic constituents, microwave-assisted extraction was studied for RCRA regulated semivolatile organics in a variety of solid matrices, including spiked samples in blank soil; polynuclear aromatic hydrocarbons in soils, sludges, and sediments; and semivolatile organics in soil. Extraction efficiencies were determined under varying conditions of time, temperature, microwave power, moisture content, and extraction solvent. Solvent usage was cut from the 300 mL used in conventional extraction methods to about 30 mL. Extraction results varied from one matrix to another. In most cases, the microwave-assisted extraction technique was as efficient as the more common Soxhlet or sonication extraction techniques.
Accurate optical CD profiler based on specialized finite element method
NASA Astrophysics Data System (ADS)
Carrero, Jesus; Perçin, Gökhan
As the semiconductor industry is moving to very low-k1 patterning solutions, the metrology problems facing process engineers are becoming much more complex. Choosing the right optical critical dimension (OCD) metrology technique is essential for bridging the metrology gap and achieving the required manufacturing volume throughput. The critical dimension scanning electron microscope (CD-SEM) measurement is usually distorted by the high aspect ratio of the photoresist and hard mask layers. CD-SEM measurements cease to correlate with complex three-dimensional profiles, such as the cases for double patterning and FinFETs, thus necessitating sophisticated, accurate and fast computational methods to bridge the gap. In this work, a suite of computational methods that complement advanced OCD equipment, and enabling them to operate at higher accuracies, are developed. In this article, a novel method for accurately modeling OCD profiles is presented. A finite element formulation in primal form is used to discretize the equations. The implementation uses specialized finite element spaces to solve Maxwell equations in two dimensions.
Directory of Analytical Methods, Department 1820
Whan, R.E.
The Materials Characterization Department performs chemical, physical, and thermophysical analyses in support of programs throughout the Laboratories. The department has a wide variety of techniques and instruments staffed by experienced personnel available for these analyses, and we strive to maintain near state-of-the-art technology by continued updates. We have prepared this Directory of Analytical Methods in order to acquaint you with our capabilities and to help you identify personnel who can assist with your analytical needs. The descriptions of the various capabilities are requester-oriented and have been limited in length and detail. Emphasis has been placed on applications and limitations with notations of estimated analysis time and alternative or related techniques. A short, simplified discussion of underlying principles is also presented along with references if more detail is desired. The contents of this document have been organized in the order: bulky analysis, microanalysis, surface analysis, optical and thermal property measurements.
Method for Accurate Surface Temperature Measurements During Fast Induction Heating
NASA Astrophysics Data System (ADS)
Larregain, Benjamin; Vanderesse, Nicolas; Bridier, Florent; Bocher, Philippe; Arkinson, Patrick
A robust method is proposed for the measurement of surface temperature fields during induction heating. It is based on the original coupling of temperature-indicating lacquers and a high-speed camera system. Image analysis tools have been implemented to automatically extract the temporal evolution of isotherms. This method was applied to the fast induction treatment of a 4340 steel spur gear, allowing the full history of surface isotherms to be accurately documented for a sequential heating, i.e., a medium frequency preheating followed by a high frequency final heating. Three isotherms, i.e., 704, 816, and 927°C, were acquired every 0.3 ms with a spatial resolution of 0.04 mm per pixel. The information provided by the method is described and discussed. Finally, the transformation temperature Ac1 is linked to the temperature on specific locations of the gear tooth.
Novel dispersion tolerant interferometry method for accurate measurements of displacement
NASA Astrophysics Data System (ADS)
Bradu, Adrian; Maria, Michael; Leick, Lasse; Podoleanu, Adrian G.
We demonstrate that the recently proposed master-slave interferometry method is able to provide true dispersion free depth profiles in a spectrometer-based set-up that can be used for accurate displacement measurements in sensing and optical coherence tomography. The proposed technique is based on correlating the channelled spectra produced by the linear camera in the spectrometer with previously recorded masks. As such technique is not based on Fourier transformations (FT), it does not require any resampling of data and is immune to any amounts of dispersion left unbalanced in the system. In order to prove the tolerance of technique to dispersion, different lengths of optical fiber are used in the interferometer to introduce dispersion and it is demonstrated that neither the sensitivity profile versus optical path difference (OPD) nor the depth resolution are affected. In opposition, it is shown that the classical FT based methods using calibrated data provide less accurate optical path length measurements and exhibit a quicker decays of sensitivity with OPD.
Accurate finite difference methods for time-harmonic wave propagation
NASA Technical Reports Server (NTRS)
Harari, Isaac; Turkel, Eli
Finite difference methods for solving problems of time-harmonic acoustics are developed and analyzed. Multidimensional inhomogeneous problems with variable, possibly discontinuous, coefficients are considered, accounting for the effects of employing nonuniform grids. A weighted-average representation is less sensitive to transition in wave resolution (due to variable wave numbers or nonuniform grids) than the standard pointwise representation. Further enhancement in method performance is obtained by basing the stencils on generalizations of Pade approximation, or generalized definitions of the derivative, reducing spurious dispersion, anisotropy and reflection, and by improving the representation of source terms. The resulting schemes have fourth-order accurate local truncation error on uniform grids and third order in the nonuniform case. Guidelines for discretization pertaining to grid orientation and resolution are presented.
The greening of PCB analytical methods
Erickson, M.D.; Alvarado, J.S.; Aldstadt, J.H.
Green chemistry incorporates waste minimization, pollution prevention and solvent substitution. The primary focus of green chemistry over the past decade has been within the chemical industry; adoption by routine environmental laboratories has been slow because regulatory standard methods must be followed. A related paradigm, microscale chemistry has gained acceptance in undergraduate teaching laboratories, but has not been broadly applied to routine environmental analytical chemistry. We are developing green and microscale techniques for routine polychlorinated biphenyl (PCB) analyses as an example of the overall potential within the environmental analytical community. Initial work has focused on adaptation of commonly used routine EPA methods for soils and oils. Results of our method development and validation demonstrate that: (1) Solvent substitution can achieve comparable results and eliminate environmentally less-desirable solvents, (2) Microscale extractions can cut the scale of the analysis by at least a factor of ten, (3) We can better match the amount of sample used with the amount needed for the GC determination step, (4) The volume of waste generated can be cut by at least a factor of ten, and (5) Costs are reduced significantly in apparatus, reagent consumption, and labor.
An Accurate Projector Calibration Method Based on Polynomial Distortion Representation
Liu, Miao; Sun, Changku; Huang, Shujun; Zhang, Zonghua
In structure light measurement systems or 3D printing systems, the errors caused by optical distortion of a digital projector always affect the precision performance and cannot be ignored. Existing methods to calibrate the projection distortion rely on calibration plate and photogrammetry, so the calibration performance is largely affected by the quality of the plate and the imaging system. This paper proposes a new projector calibration approach that makes use of photodiodes to directly detect the light emitted from a digital projector. By analyzing the output sequence of the photoelectric module, the pixel coordinates can be accurately obtained by the curve fitting method. A polynomial distortion representation is employed to reduce the residuals of the traditional distortion representation model. Experimental results and performance evaluation show that the proposed calibration method is able to avoid most of the disadvantages in traditional methods and achieves a higher accuracy. This proposed method is also practically applicable to evaluate the geometric optical performance of other optical projection system. PMID:26492247
Ad hoc methods for accurate determination of Bader's atomic boundary
NASA Astrophysics Data System (ADS)
Polestshuk, Pavel M.
In addition to the recently published triangulation method [P. M. Polestshuk, J. Comput. Chem. 34, 206 (2013)], 10.1002/jcc.23121, two new highly accurate approaches, ZFSX and SINTY, for the integration over an atomic region covered by a zero-flux surface (zfs) were developed and efficiently interfaced into the TWOE program. ZFSX method was realized as three independent modules (ZFSX-1, ZFSX-3, and ZFSX-5) handling interatomic surfaces of a different complexity. Details of algorithmic implementation of ZFSX and SINTY are discussed. A special attention to an extended analysis of errors in calculations of atomic properties is paid. It was shown that uncertainties in zfs determination caused by ZFSX and SINTY approaches contribute negligibly (less than 10-6 a.u.) to the total atomic integration errors. Moreover, the new methods are able to evaluate atomic integrals with a reasonable time and can be universally applied for the systems of any complexity. It is suggested, therefore, that ZFSX and SINTY can be regarded as benchmark methods for the computation of any Quantum Theory of Atoms in Molecules atomic property.
An accurate moving boundary formulation in cut-cell methods
NASA Astrophysics Data System (ADS)
Schneiders, Lennart; Hartmann, Daniel; Meinke, Matthias; Schröder, Wolfgang
A cut-cell method for Cartesian meshes to simulate viscous compressible flows with moving boundaries is presented. We focus on eliminating unphysical oscillations occurring in Cartesian grid methods extended to moving-boundary problems. In these methods, cells either lie completely in the fluid or solid region or are intersected by the boundary. For the latter cells, the time dependent volume fraction lying in the fluid region can be so small that explicit time-integration schemes become unstable and a special treatment of these cells is necessary. When the boundary moves, a fluid cell may become a cut cell or a solid cell may become a small cell at the next time level. This causes an abrupt change in the discretization operator and a suddenly modified truncation error of the numerical scheme. This temporally discontinuous alteration is shown to act like an unphysical source term, which deteriorates the numerical solution, i.e., it generates unphysical oscillations in the hydrodynamic forces exerted on the moving boundary. We develop an accurate moving boundary formulation based on the varying discretization operators yielding a cut-cell method which avoids these discontinuities. Results for canonical two- and three-dimensional test cases evidence the accuracy and robustness of the newly developed scheme.
Ad hoc methods for accurate determination of Bader's atomic boundary.
Polestshuk, Pavel M
In addition to the recently published triangulation method [P. M. Polestshuk, J. Comput. Chem. 34, 206 (2013)], two new highly accurate approaches, ZFSX and SINTY, for the integration over an atomic region covered by a zero-flux surface (zfs) were developed and efficiently interfaced into the TWOE program. ZFSX method was realized as three independent modules (ZFSX-1, ZFSX-3, and ZFSX-5) handling interatomic surfaces of a different complexity. Details of algorithmic implementation of ZFSX and SINTY are discussed. A special attention to an extended analysis of errors in calculations of atomic properties is paid. It was shown that uncertainties in zfs determination caused by ZFSX and SINTY approaches contribute negligibly (less than 10(-6) a.u.) to the total atomic integration errors. Moreover, the new methods are able to evaluate atomic integrals with a reasonable time and can be universally applied for the systems of any complexity. It is suggested, therefore, that ZFSX and SINTY can be regarded as benchmark methods for the computation of any Quantum Theory of Atoms in Molecules atomic property.
Constrained sampling method for analytic continuation.
Sandvik, Anders W
A method for analytic continuation of imaginary-time correlation functions (here obtained in quantum Monte Carlo simulations) to real-frequency spectral functions is proposed. Stochastically sampling a spectrum parametrized by a large number of δ functions, treated as a statistical-mechanics problem, it avoids distortions caused by (as demonstrated here) configurational entropy in previous sampling methods. The key development is the suppression of entropy by constraining the spectral weight to within identifiable optimal bounds and imposing a set number of peaks. As a test case, the dynamic structure factor of the S=1/2 Heisenberg chain is computed. Very good agreement is found with Bethe ansatz results in the ground state (including a sharp edge) and with exact diagonalization of small systems at elevated temperatures.
Constrained sampling method for analytic continuation
NASA Astrophysics Data System (ADS)
Sandvik, Anders W.
A method for analytic continuation of imaginary-time correlation functions (here obtained in quantum Monte Carlo simulations) to real-frequency spectral functions is proposed. Stochastically sampling a spectrum parametrized by a large number of δ functions, treated as a statistical-mechanics problem, it avoids distortions caused by (as demonstrated here) configurational entropy in previous sampling methods. The key development is the suppression of entropy by constraining the spectral weight to within identifiable optimal bounds and imposing a set number of peaks. As a test case, the dynamic structure factor of the S =1 /2 Heisenberg chain is computed. Very good agreement is found with Bethe ansatz results in the ground state (including a sharp edge) and with exact diagonalization of small systems at elevated temperatures.
Accurate measurement method for tube's endpoints based on machine vision
NASA Astrophysics Data System (ADS)
Liu, Shaoli; Jin, Peng; Liu, Jianhua; Wang, Xiao; Sun, Peng
Tubes are used widely in aerospace vehicles, and their accurate assembly can directly affect the assembling reliability and the quality of products. It is important to measure the processed tube's endpoints and then fix any geometric errors correspondingly. However, the traditional tube inspection method is time-consuming and complex operations. Therefore, a new measurement method for a tube's endpoints based on machine vision is proposed. First, reflected light on tube's surface can be removed by using photometric linearization. Then, based on the optimization model for the tube's endpoint measurements and the principle of stereo matching, the global coordinates and the relative distance of the tube's endpoint are obtained. To confirm the feasibility, 11 tubes are processed to remove the reflected light and then the endpoint's positions of tubes are measured. The experiment results show that the measurement repeatability accuracy is 0.167 mm, and the absolute accuracy is 0.328 mm. The measurement takes less than 1 min. The proposed method based on machine vision can measure the tube's endpoints without any surface treatment or any tools and can realize on line measurement.
Analytic Method for Computing Instrument Pointing Jitter
NASA Technical Reports Server (NTRS)
Bayard, David
A new method of calculating the root-mean-square (rms) pointing jitter of a scientific instrument (e.g., a camera, radar antenna, or telescope) is introduced based on a state-space concept. In comparison with the prior method of calculating the rms pointing jitter, the present method involves significantly less computation. The rms pointing jitter of an instrument (the square root of the jitter variance shown in the figure) is an important physical quantity which impacts the design of the instrument, its actuators, controls, sensory components, and sensor- output-sampling circuitry. Using the Sirlin, San Martin, and Lucke definition of pointing jitter, the prior method of computing the rms pointing jitter involves a frequency-domain integral of a rational polynomial multiplied by a transcendental weighting function, necessitating the use of numerical-integration techniques. In practice, numerical integration complicates the problem of calculating the rms pointing error. In contrast, the state-space method provides exact analytic expressions that can be evaluated without numerical integration.
Selected Analytical Methods for Environmental Remediation and Recovery (SAM) - Home
The SAM Home page provides access to all information provided in EPA's Selected Analytical Methods for Environmental Remediation and Recovery (SAM), and includes a query function allowing users to search methods by analyte, sample type and instrumentation.
Pyrroloquinoline quinone: Metabolism and analytical methods
Smidt, C.R.
Pyrroloquinoline quinone (PQQ) functions as a cofactor for bacterial oxidoreductases. Whether or not PQQ serves as a cofactor in higher plants and animals remains controversial. Nevertheless, strong evidence exists that PQQ has nutritional importance. In highly purified, chemically defined diets PQQ stimulates animal growth. Further PQQ deprivation impairs connective tissue maturation, particularly when initiated in utero and throughout perinatal development. The study addresses two main objectives: (1) to elucidate basic aspects of the metabolism of PQQ in animals, and (2) to develop and improve existing analytical methods for PQQ. To study intestinal absorption of PQQ, ten mice were administered [[sup 14]C]-PQQ per os. PQQ was readily absorbed (62%) in the lower intestine and was excreted by the kidney within 24 hours. Significant amounts of labeled-PQQ were retained only by skin and kidney. Three approaches were taken to answer the question whether or not PQQ is synthesized by the intestinal microflora of mice. First, dietary antibiotics had no effect on fecal PQQ excretion. Then, no bacterial isolates could be identified that are known to synthesize PQQ. Last, cecal contents were incubated anaerobically with radiolabeled PQQ-precursors with no label appearing in isolated PQQ. Thus, intestinal PQQ synthesis is unlikely. Analysis of PQQ in biological samples is problematic since PQQ forms adducts with nucleophilic compounds and binds to the protein fraction. Existing analytical methods are reviewed and a new approach is introduced that allows for detection of PQQ in animal tissue and foods. PQQ is freed from proteins by ion exchange chromatography, purified on activated silica cartridges, detected by a colorimetric redox-cycling assay, and identified by mass spectrometry. That compounds with the properties of PQQ may be nutritionally important offers interesting areas for future investigation.
IRIS: Towards an Accurate and Fast Stage Weight Prediction Method
NASA Astrophysics Data System (ADS)
Taponier, V.; Balu, A.
The knowledge of the structural mass fraction (or the mass ratio) of a given stage, which affects the performance of a rocket, is essential for the analysis of new or upgraded launchers or stages, whose need is increased by the quick evolution of the space programs and by the necessity of their adaptation to the market needs. The availability of this highly scattered variable, ranging between 0.05 and 0.15, is of primary importance at the early steps of the preliminary design studies. At the start of the staging and performance studies, the lack of frozen weight data (to be obtained later on from propulsion, trajectory and sizing studies) leads to rely on rough estimates, generally derived from printed sources and adapted. When needed, a consolidation can be acquired trough a specific analysis activity involving several techniques and implying additional effort and time. The present empirical approach allows thus to get approximated values (i.e. not necessarily accurate or consistent), inducing some result inaccuracy as well as, consequently, difficulties of performance ranking for a multiple option analysis, and an increase of the processing duration. This forms a classical harsh fact of the preliminary design system studies, insufficiently discussed to date. It appears therefore highly desirable to have, for all the evaluation activities, a reliable, fast and easy-to-use weight or mass fraction prediction method. Additionally, the latter should allow for a pre selection of the alternative preliminary configurations, making possible a global system approach. For that purpose, an attempt at modeling has been undertaken, whose objective was the determination of a parametric formulation of the mass fraction, to be expressed from a limited number of parameters available at the early steps of the project. It is based on the innovative use of a statistical method applicable to a variable as a function of several independent parameters. A specific polynomial generator
Joint iris boundary detection and fit: a real-time method for accurate pupil tracking.
Barbosa, Marconi; James, Andrew C
A range of applications in visual science rely on accurate tracking of the human pupil's movement and contraction in response to light. While the literature for independent contour detection and fitting of the iris-pupil boundary is vast, a joint approach, in which it is assumed that the pupil has a given geometric shape has been largely overlooked. We present here a global method for simultaneously finding and fitting of an elliptic or circular contour against a dark interior, which produces consistently accurate results even under non-ideal recording conditions, such as reflections near and over the boundary, droopy eye lids, or the sudden formation of tears. The specific form of the proposed optimization problem allows us to write down closed analytic formulae for the gradient and the Hessian of the objective function. Moreover, both the objective function and its derivatives can be cast into vectorized form, making the proposed algorithm significantly faster than its closest relative in the literature. We compare methods in multiple ways, both analytically and numerically, using real iris images as well as idealizations of the iris for which the ground truth boundary is precisely known. The method proposed here is illustrated under challenging recording conditions and it is shown to be robust.
Joint iris boundary detection and fit: a real-time method for accurate pupil tracking
Barbosa, Marconi; James, Andrew C.
A range of applications in visual science rely on accurate tracking of the human pupil's movement and contraction in response to light. While the literature for independent contour detection and fitting of the iris-pupil boundary is vast, a joint approach, in which it is assumed that the pupil has a given geometric shape has been largely overlooked. We present here a global method for simultaneously finding and fitting of an elliptic or circular contour against a dark interior, which produces consistently accurate results even under non-ideal recording conditions, such as reflections near and over the boundary, droopy eye lids, or the sudden formation of tears. The specific form of the proposed optimization problem allows us to write down closed analytic formulae for the gradient and the Hessian of the objective function. Moreover, both the objective function and its derivatives can be cast into vectorized form, making the proposed algorithm significantly faster than its closest relative in the literature. We compare methods in multiple ways, both analytically and numerically, using real iris images as well as idealizations of the iris for which the ground truth boundary is precisely known. The method proposed here is illustrated under challenging recording conditions and it is shown to be robust. PMID:25136477
40 CFR 158.355 - Enforcement analytical method.
Code of Federal Regulations, 2014 CFR
... 40 Protection of Environment 24 2014-07-01 2014-07-01 false Enforcement analytical method. 158.355... DATA REQUIREMENTS FOR PESTICIDES Product Chemistry § 158.355 Enforcement analytical method. An analytical method suitable for enforcement purposes must be provided for each active ingredient in...
Accurate Sloshing Modes Modeling: A New Analytical Solution and its Consequences on Control
NASA Astrophysics Data System (ADS)
Gonidou, Luc-Olivier; Desmariaux, Jean
This study addresses the issue of sloshing modes modeling for GNC analyses purposes. On European launchers, equivalent mechanical systems are commonly used for modeling sloshing effects on launcher dynamics. The representativeness of such a methodology is discussed here. First an exact analytical formulation of the launcher dynamics fitted with sloshing modes is proposed and discrepancies with equivalent mechanical system approach are emphasized. Then preliminary comparative GNC analyses are performed using the different models of dynamics in order to evaluate the impact of the aforementioned discrepancies from GNC standpoint. Special attention is paid to system stability.
Analytical Methods for Measuring Mercury in Water, Sediment and Biota
Lasorsa, Brenda K.; Gill, Gary A.; Horvat, Milena
Mercury (Hg) exists in a large number of physical and chemical forms with a wide range of properties. Conversion between these different forms provides the basis for mercury's complex distribution pattern in local and global cycles and for its biological enrichment and effects. Since the 1960's, the growing awareness of environmental mercury pollution has stimulated the development of more accurate, precise and efficient methods of determining mercury and its compounds in a wide variety of matrices. During recent years new analytical techniques have become available that have contributed significantly to the understanding of mercury chemistry in natural systems. In particular, these include ultra sensitive and specific analytical equipment and contamination-free methodologies. These improvements allow for the determination of total mercury as well as major species of mercury to be made in water, sediments and soils, and biota. Analytical methods are selected depending on the nature of the sample, the concentration levels of mercury, and what species or fraction is to be quantified. The terms "speciation" and "fractionation" in analytical chemistry were addressed by the International Union for Pure and Applied Chemistry (IUPAC) which published guidelines (Templeton et al., 2000) or recommendations for the definition of speciation analysis. "Speciation analysis is the analytical activity of identifying and/or measuring the quantities of one or more individual chemical species in a sample. The chemical species are specific forms of an element defined as to isotopic composition, electronic or oxidation state, and/or complex or molecular structure. The speciation of an element is the distribution of an element amongst defined chemical species in a system. In case that it is not possible to determine the concentration of the different individual chemical species that sum up the total concentration of an element in a given matrix, meaning it is impossible to
Quantifying Methane Fluxes Simply and Accurately: The Tracer Dilution Method
NASA Astrophysics Data System (ADS)
Rella, Christopher; Crosson, Eric; Green, Roger; Hater, Gary; Dayton, Dave; Lafleur, Rick; Merrill, Ray; Tan, Sze; Thoma, Eben
Methane is an important atmospheric constituent with a wide variety of sources, both natural and anthropogenic, including wetlands and other water bodies, permafrost, farms, landfills, and areas with significant petrochemical exploration, drilling, transport, or processing, or refining occurs. Despite its importance to the carbon cycle, its significant impact as a greenhouse gas, and its ubiquity in modern life as a source of energy, its sources and sinks in marine and terrestrial ecosystems are only poorly understood. This is largely because high quality, quantitative measurements of methane fluxes in these different environments have not been available, due both to the lack of robust field-deployable instrumentation as well as to the fact that most significant sources of methane extend over large areas (from 10's to 1,000,000's of square meters) and are heterogeneous emitters - i.e., the methane is not emitted evenly over the area in question. Quantifying the total methane emissions from such sources becomes a tremendous challenge, compounded by the fact that atmospheric transport from emission point to detection point can be highly variable. In this presentation we describe a robust, accurate, and easy-to-deploy technique called the tracer dilution method, in which a known gas (such as acetylene, nitrous oxide, or sulfur hexafluoride) is released in the same vicinity of the methane emissions. Measurements of methane and the tracer gas are then made downwind of the release point, in the so-called far-field, where the area of methane emissions cannot be distinguished from a point source (i.e., the two gas plumes are well-mixed). In this regime, the methane emissions are given by the ratio of the two measured concentrations, multiplied by the known tracer emission rate. The challenges associated with atmospheric variability and heterogeneous methane emissions are handled automatically by the transport and dispersion of the tracer. We present detailed methane flux
Microgenetic Learning Analytics Methods: Workshop Report
ERIC Educational Resources Information Center
Aghababyan, Ani; Martin, Taylor; Janisiewicz, Philip; Close, Kevin
Learning analytics is an emerging discipline and, as such, benefits from new tools and methodological approaches. This work reviews and summarizes our workshop on microgenetic data analysis techniques using R, held at the second annual Learning Analytics Summer Institute in Cambridge, Massachusetts, on 30 June 2014. Specifically, this paper…
An accurate and practical method for inference of weak gravitational lensing from galaxy images
NASA Astrophysics Data System (ADS)
Bernstein, Gary M.; Armstrong, Robert; Krawiec, Christina; March, Marisa C.
We demonstrate highly accurate recovery of weak gravitational lensing shear using an implementation of the Bayesian Fourier Domain (BFD) method proposed by Bernstein & Armstrong, extended to correct for selection biases. The BFD formalism is rigorously correct for Nyquist-sampled, background-limited, uncrowded images of background galaxies. BFD does not assign shapes to galaxies, instead compressing the pixel data D into a vector of moments M, such that we have an analytic expression for the probability P(M|g) of obtaining the observations with gravitational lensing distortion g along the line of sight. We implement an algorithm for conducting BFD's integrations over the population of unlensed source galaxies which measures ≈10 galaxies s-1 core-1 with good scaling properties. Initial tests of this code on ≈109 simulated lensed galaxy images recover the simulated shear to a fractional accuracy of m = (2.1 ± 0.4) × 10-3, substantially more accurate than has been demonstrated previously for any generally applicable method. Deep sky exposures generate a sufficiently accurate approximation to the noiseless, unlensed galaxy population distribution assumed as input to BFD. Potential extensions of the method include simultaneous measurement of magnification and shear; multiple-exposure, multiband observations; and joint inference of photometric redshifts and lensing tomography.
40 CFR 425.03 - Sulfide analytical methods and applicability.
Code of Federal Regulations, 2013 CFR
... Provisions § 425.03 Sulfide analytical methods and applicability. (a) The potassium ferricyanide titration... the potassium ferricyanide titration method for the determination of sulfide in wastewaters...
40 CFR 136.6 - Method modifications and analytical requirements.
Code of Federal Regulations, 2011 CFR
... person or laboratory using a test procedure (analytical method) in this Part. (2) Chemistry of the method... (analytical method) provided that the chemistry of the method or the determinative technique is not changed... prevent efficient recovery of organic pollutants and prevent the method from meeting QC requirements,...
Method and apparatus for accurately manipulating an object during microelectrophoresis
Parvin, Bahram A.; Maestre, Marcos F.; Fish, Richard H.; Johnston, William E.
An apparatus using electrophoresis provides accurate manipulation of an object on a microscope stage for further manipulations add reactions. The present invention also provides an inexpensive and easily accessible means to move an object without damage to the object. A plurality of electrodes are coupled to the stage in an array whereby the electrode array allows for distinct manipulations of the electric field for accurate manipulations of the object. There is an electrode array control coupled to the plurality of electrodes for manipulating the electric field. In an alternative embodiment, a chamber is provided on the stage to hold the object. The plurality of electrodes are positioned in the chamber, and the chamber is filled with fluid. The system can be automated using visual servoing, which manipulates the control parameters, i.e., x, y stage, applying the field, etc., after extracting the significant features directly from image data. Visual servoing includes an imaging device and computer system to determine the location of the object. A second stage having a plurality of tubes positioned on top of the second stage, can be accurately positioned by visual servoing so that one end of one of the plurality of tubes surrounds at least part of the object on the first stage.
Method and apparatus for accurately manipulating an object during microelectrophoresis
Parvin, B.A.; Maestre, M.F.; Fish, R.H.; Johnston, W.E.
An apparatus using electrophoresis provides accurate manipulation of an object on a microscope stage for further manipulations and reactions. The present invention also provides an inexpensive and easily accessible means to move an object without damage to the object. A plurality of electrodes are coupled to the stage in an array whereby the electrode array allows for distinct manipulations of the electric field for accurate manipulations of the object. There is an electrode array control coupled to the plurality of electrodes for manipulating the electric field. In an alternative embodiment, a chamber is provided on the stage to hold the object. The plurality of electrodes are positioned in the chamber, and the chamber is filled with fluid. The system can be automated using visual servoing, which manipulates the control parameters, i.e., x, y stage, applying the field, etc., after extracting the significant features directly from image data. Visual servoing includes an imaging device and computer system to determine the location of the object. A second stage having a plurality of tubes positioned on top of the second stage, can be accurately positioned by visual servoing so that one end of one of the plurality of tubes surrounds at least part of the object on the first stage. 11 figs.
7 CFR 91.23 - Analytical methods.
Code of Federal Regulations, 2012 CFR
... INTERNATIONAL, 481 North Frederick Avenue, Suite 500, Gaithersburg, MD 20877-2417. (f) Manual of Analytical... Practices of the American Oil Chemists' Society (AOCS), American Oil Chemists' Society, P.O. Box 3489, 2211... INTERNATIONAL, Volumes I & II, AOAC INTERNATIONAL, 481 North Frederick Avenue, Suite 500, Gaithersburg, MD...
7 CFR 91.23 - Analytical methods.
Code of Federal Regulations, 2014 CFR
... INTERNATIONAL, 481 North Frederick Avenue, Suite 500, Gaithersburg, MD 20877-2417. (f) Manual of Analytical... Practices of the American Oil Chemists' Society (AOCS), American Oil Chemists' Society, P.O. Box 3489, 2211... INTERNATIONAL, Volumes I & II, AOAC INTERNATIONAL, 481 North Frederick Avenue, Suite 500, Gaithersburg, MD...
7 CFR 91.23 - Analytical methods.
Code of Federal Regulations, 2011 CFR
... INTERNATIONAL, 481 North Frederick Avenue, Suite 500, Gaithersburg, MD 20877-2417. (f) Manual of Analytical... Practices of the American Oil Chemists' Society (AOCS), American Oil Chemists' Society, P.O. Box 3489, 2211... INTERNATIONAL, Volumes I & II, AOAC INTERNATIONAL, 481 North Frederick Avenue, Suite 500, Gaithersburg, MD...
Innovations in Mass Spectrometry for Precise and Accurate Isotope Ratio Determination from Very Small Analyte Quantities (Invited)
NASA Astrophysics Data System (ADS)
Lloyd, N. S.; Bouman, C.; Horstwood, M. S.; Parrish, R. R.; Schwieters, J. B.
This presentation describes progress in mass spectrometry for analysing very small analyte quantities, illustrated by example applications from nuclear forensics. In this challenging application, precise and accurate (‰) uranium isotope ratios are required from 1 - 2 µm diameter uranium oxide particles, which comprise less than 40 pg of uranium. Traditionally these are analysed using thermal ionisation mass spectrometry (TIMS), and more recently using secondary ionisation mass spectrometry (SIMS). Multicollector inductively-coupled plasma mass spectrometry (MC-ICP-MS) can offer higher productivity compared to these techniques, but is traditionally limited by low efficiency of analyte utilisation (sample through to ion detection). Samples can either be introduced as a solution, or sampled directly from solid using laser ablation. Large multi-isotope ratio datasets can help identify provenance and intended use of anthropogenic uranium and other nuclear materials [1]. The Thermo Scientific NEPTUNE Plus (Bremen, Germany) with 'Jet Interface' option offers unparalleled MC-ICP-MS sensitivity. An analyte utilisation of c. 4% has previously been reported for uranium [2]. This high-sensitivity configuration utilises a dry high-capacity (100 m3/h) interface pump, special skimmer and sampler cones and a desolvating nebuliser system. Coupled with new acquisition methodologies, this sensitivity enhancement makes possible the analysis of micro-particles and small sample volumes at higher precision levels than previously achieved. New, high-performance, full-size and compact discrete dynode secondary electron multipliers (SEM) exhibit excellent stability and linearity over a large dynamic range and can be configured to simultaneously measure all of the uranium isotopes. Options for high abundance-sensitivity filters on two ion beams are also available, e.g. for 236U and 234U. Additionally, amplifiers with high ohm (1012 - 1013) feedback resistors have been developed to
Advanced Durability Analysis. Volume 1. Analytical Methods
for microstruc .- tural behavior . This approach for representing the IFQ, when properly used, can provide reasonable durability analysis rt,- sults for...equivalent initial flaw size distribution (EIFSD) function. Engineering principles rather than mechanistic-based theories for microstructural behavior are...accurate EIFS distribution and a service crack growth behavior . The determinations of EIFS distribution have been described in detail previously. In this
Statistically Qualified Neuro-Analytic system and Method for Process Monitoring
Vilim, Richard B.; Garcia, Humberto E.; Chen, Frederick W.
An apparatus and method for monitoring a process involves development and application of a statistically qualified neuro-analytic (SQNA) model to accurately and reliably identify process change. The development of the SQNA model is accomplished in two steps: deterministic model adaption and stochastic model adaptation. Deterministic model adaption involves formulating an analytic model of the process representing known process characteristics,augmenting the analytic model with a neural network that captures unknown process characteristics, and training the resulting neuro-analytic model by adjusting the neural network weights according to a unique scaled equation emor minimization technique. Stochastic model adaptation involves qualifying any remaining uncertainty in the trained neuro-analytic model by formulating a likelihood function, given an error propagation equation, for computing the probability that the neuro-analytic model generates measured process output. Preferably, the developed SQNA model is validated using known sequential probability ratio tests and applied to the process as an on-line monitoring system.
Improving the full spectrum fitting method: accurate convolution with Gauss-Hermite functions
NASA Astrophysics Data System (ADS)
Cappellari, Michele
I start by providing an updated summary of the penalized pixel-fitting (PPXF) method that is used to extract the stellar and gas kinematics, as well as the stellar population of galaxies, via full spectrum fitting. I then focus on the problem of extracting the kinematics when the velocity dispersion σ is smaller than the velocity sampling ΔV that is generally, by design, close to the instrumental dispersion σinst. The standard approach consists of convolving templates with a discretized kernel, while fitting for its parameters. This is obviously very inaccurate when σ ≲ ΔV/2, due to undersampling. Oversampling can prevent this, but it has drawbacks. Here I present a more accurate and efficient alternative. It avoids the evaluation of the undersampled kernel and instead directly computes its well-sampled analytic Fourier transform, for use with the convolution theorem. A simple analytic transform exists when the kernel is described by the popular Gauss-Hermite parametrization (which includes the Gaussian as special case) for the line-of-sight velocity distribution. I describe how this idea was implemented in a significant upgrade to the publicly available PPXF software. The key advantage of the new approach is that it provides accurate velocities regardless of σ. This is important e.g. for spectroscopic surveys targeting galaxies with σ ≪ σinst, for galaxy redshift determinations or for measuring line-of-sight velocities of individual stars. The proposed method could also be used to fix Gaussian convolution algorithms used in today's popular software packages.
Mapping methods for computationally efficient and accurate structural reliability
NASA Technical Reports Server (NTRS)
Shiao, Michael C.; Chamis, Christos C.
Mapping methods are developed to improve the accuracy and efficiency of probabilistic structural analyses with coarse finite element meshes. The mapping methods consist of the following: (1) deterministic structural analyses with fine (convergent) finite element meshes; (2) probabilistic structural analyses with coarse finite element meshes; (3) the relationship between the probabilistic structural responses from the coarse and fine finite element meshes; and (4) a probabilistic mapping. The results show that the scatter in the probabilistic structural responses and structural reliability can be efficiently predicted using a coarse finite element model and proper mapping methods with good accuracy. Therefore, large structures can be efficiently analyzed probabilistically using finite element methods.
Biological Matrix Effects in Quantitative Tandem Mass Spectrometry-Based Analytical Methods: Advancing Biomonitoring
Panuwet, Parinya; Hunter, Ronald E.; D'Souza, Priya E.; Chen, Xianyu; Radford, Samantha A.; Cohen, Jordan R.; Marder, M. Elizabeth; Kartavenka, Kostya; Ryan, P. Barry; Barr, Dana Boyd
The ability to quantify levels of target analytes in biological samples accurately and precisely, in biomonitoring, involves the use of highly sensitive and selective instrumentation such as tandem mass spectrometers and a thorough understanding of highly variable matrix effects. Typically, matrix effects are caused by co-eluting matrix components that alter the ionization of target analytes as well as the chromatographic response of target analytes, leading to reduced or increased sensitivity of the analysis. Thus, before the desired accuracy and precision standards of laboratory data are achieved, these effects must be characterized and controlled. Here we present our review and observations of matrix effects encountered during the validation and implementation of tandem mass spectrometry-based analytical methods. We also provide systematic, comprehensive laboratory strategies needed to control challenges posed by matrix effects in order to ensure delivery of the most accurate data for biomonitoring studies assessing exposure to environmental toxicants. PMID:25562585
Method accurately measures mean particle diameters of monodisperse polystyrene latexes
NASA Technical Reports Server (NTRS)
Kubitschek, H. E.
Photomicrographic method determines mean particle diameters of monodisperse polystyrene latexes. Many diameters are measured simultaneously by measuring row lengths of particles in a triangular array at a glass-oil interface. The method provides size standards for electronic particle counters and prevents distortions, softening, and flattening.
Express method of construction of accurate inverse pole figures
NASA Astrophysics Data System (ADS)
Perlovich, Yu; Isaenkova, M.; Fesenko, V.
With regard to metallic materials with the FCC and BCC crystal lattice a new method for constructing the X-ray texture inverse pole figures (IPF) by using tilt curves of spinning sample, characterized by high accuracy and rapidity (express), was proposed. In contrast to the currently widespread method to construct IPF using orientation distribution function (ODF), synthesized in several partial direct pole figures, the proposed method is based on a simple geometrical interpretation of a measurement procedure, requires a minimal operating time of the X-ray diffractometer.
40 CFR 158.355 - Enforcement analytical method.
Code of Federal Regulations, 2011 CFR
... 40 Protection of Environment 24 2011-07-01 2011-07-01 false Enforcement analytical method. 158.355 Section 158.355 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR PESTICIDES Product Chemistry § 158.355 Enforcement analytical method....
40 CFR 158.355 - Enforcement analytical method.
Code of Federal Regulations, 2013 CFR
... 40 Protection of Environment 25 2013-07-01 2013-07-01 false Enforcement analytical method. 158.355 Section 158.355 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR PESTICIDES Product Chemistry § 158.355 Enforcement analytical method....
40 CFR 158.355 - Enforcement analytical method.
Code of Federal Regulations, 2010 CFR
... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Enforcement analytical method. 158.355 Section 158.355 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR PESTICIDES Product Chemistry § 158.355 Enforcement analytical method....
40 CFR 158.355 - Enforcement analytical method.
Code of Federal Regulations, 2012 CFR
... 40 Protection of Environment 25 2012-07-01 2012-07-01 false Enforcement analytical method. 158.355 Section 158.355 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR PESTICIDES Product Chemistry § 158.355 Enforcement analytical method....
40 CFR 136.6 - Method modifications and analytical requirements.
Code of Federal Regulations, 2010 CFR
... person or laboratory using a test procedure (analytical method) in this Part. (2) Chemistry of the method... requirements. 136.6 Section 136.6 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER... interest in an environmental sample. (3) Determinative technique means the way in which an analyte...
The chain collocation method: A spectrally accurate calculus of forms
NASA Astrophysics Data System (ADS)
Rufat, Dzhelil; Mason, Gemma; Mullen, Patrick; Desbrun, Mathieu
Preserving in the discrete realm the underlying geometric, topological, and algebraic structures at stake in partial differential equations has proven to be a fruitful guiding principle for numerical methods in a variety of fields such as elasticity, electromagnetism, or fluid mechanics. However, structure-preserving methods have traditionally used spaces of piecewise polynomial basis functions for differential forms. Yet, in many problems where solutions are smoothly varying in space, a spectral numerical treatment is called for. In an effort to provide structure-preserving numerical tools with spectral accuracy on logically rectangular grids over periodic or bounded domains, we present a spectral extension of the discrete exterior calculus (DEC), with resulting computational tools extending well-known collocation-based spectral methods. Its efficient implementation using fast Fourier transforms is provided as well.
An accurate fuzzy edge detection method using wavelet details subimages
NASA Astrophysics Data System (ADS)
Sedaghat, Nafiseh; Pourreza, Hamidreza
Edge detection is a basic and important subject in computer vision and image processing. An edge detector is defined as a mathematical operator of small spatial extent that responds in some way to these discontinuities, usually classifying every image pixel as either belonging to an edge or not. Many researchers have been spent attempting to develop effective edge detection algorithms. Despite this extensive research, the task of finding the edges that correspond to true physical boundaries remains a difficult problem.Edge detection algorithms based on the application of human knowledge show their flexibility and suggest that the use of human knowledge is a reasonable alternative. In this paper we propose a fuzzy inference system with two inputs: gradient and wavelet details. First input is calculated by Sobel operator and the second is calculated by wavelet transform of input image and then reconstruction of image only with details subimages by inverse wavelet transform. There are many fuzzy edge detection methods, but none of them utilize wavelet transform as it is used in this paper. For evaluating our method, we detect edges of images with different brightness characteristics and compare results with canny edge detector. The results show the high performance of our method in finding true edges.
Efficient and accurate numerical methods for the Klein-Gordon-Schroedinger equations
Bao, Weizhu . E-mail: firstname.lastname@example.com; Yang, Li . E-mail: firstname.lastname@example.com
In this paper, we present efficient, unconditionally stable and accurate numerical methods for approximations of the Klein-Gordon-Schroedinger (KGS) equations with/without damping terms. The key features of our methods are based on: (i) the application of a time-splitting spectral discretization for a Schroedinger-type equation in KGS (ii) the utilization of Fourier pseudospectral discretization for spatial derivatives in the Klein-Gordon equation in KGS (iii) the adoption of solving the ordinary differential equations (ODEs) in phase space analytically under appropriate chosen transmission conditions between different time intervals or applying Crank-Nicolson/leap-frog for linear/nonlinear terms for time derivatives. The numerical methods are either explicit or implicit but can be solved explicitly, unconditionally stable, and of spectral accuracy in space and second-order accuracy in time. Moreover, they are time reversible and time transverse invariant when there is no damping terms in KGS, conserve (or keep the same decay rate of) the wave energy as that in KGS without (or with a linear) damping term, keep the same dynamics of the mean value of the meson field, and give exact results for the plane-wave solution. Extensive numerical tests are presented to confirm the above properties of our numerical methods for KGS. Finally, the methods are applied to study solitary-wave collisions in one dimension (1D), as well as dynamics of a 2D problem in KGS.
Mapping methods for computationally efficient and accurate structural reliability
NASA Technical Reports Server (NTRS)
Shiao, Michael C.; Chamis, Christos C.
The influence of mesh coarseness in the structural reliability is evaluated. The objectives are to describe the alternatives and to demonstrate their effectiveness. The results show that special mapping methods can be developed by using: (1) deterministic structural responses from a fine (convergent) finite element mesh; (2) probabilistic distributions of structural responses from a coarse finite element mesh; (3) the relationship between the probabilistic structural responses from the coarse and fine finite element meshes; and (4) probabilistic mapping. The structural responses from different finite element meshes are highly correlated.
Pendant bubble method for an accurate characterization of superhydrophobic surfaces.
Ling, William Yeong Liang; Ng, Tuck Wah; Neild, Adrian
The commonly used sessile drop method for measuring contact angles and surface tension suffers from errors on superhydrophobic surfaces. This occurs from unavoidable experimental error in determining the vertical location of the liquid-solid-vapor interface due to a camera's finite pixel resolution, thereby necessitating the development and application of subpixel algorithms. We demonstrate here the advantage of a pendant bubble in decreasing the resulting error prior to the application of additional algorithms. For sessile drops to attain an equivalent accuracy, the pixel count would have to be increased by 2 orders of magnitude.
An analytic reconstruction method for PET based on cubic splines
NASA Astrophysics Data System (ADS)
Kastis, George A.; Kyriakopoulou, Dimitra; Fokas, Athanasios S.
PET imaging is an important nuclear medicine modality that measures in vivo distribution of imaging agents labeled with positron-emitting radionuclides. Image reconstruction is an essential component in tomographic medical imaging. In this study, we present the mathematical formulation and an improved numerical implementation of an analytic, 2D, reconstruction method called SRT, Spline Reconstruction Technique. This technique is based on the numerical evaluation of the Hilbert transform of the sinogram via an approximation in terms of 'custom made' cubic splines. It also imposes sinogram thresholding which restricts reconstruction only within object pixels. Furthermore, by utilizing certain symmetries it achieves a reconstruction time similar to that of FBP. We have implemented SRT in the software library called STIR and have evaluated this method using simulated PET data. We present reconstructed images from several phantoms. Sinograms have been generated at various Poison noise levels and 20 realizations of noise have been created at each level. In addition to visual comparisons of the reconstructed images, the contrast has been determined as a function of noise level. Further analysis includes the creation of line profiles when necessary, to determine resolution. Numerical simulations suggest that the SRT algorithm produces fast and accurate reconstructions at realistic noise levels. The contrast is over 95% in all phantoms examined and is independent of noise level.
A Joint Analytic Method for Estimating Aquitard Hydraulic Parameters.
Zhuang, Chao; Zhou, Zhifang; Illman, Walter A
The vertical hydraulic conductivity (Kv ), elastic (Sske ), and inelastic (Sskv ) skeletal specific storage of aquitards are three of the most critical parameters in land subsidence investigations. Two new analytic methods are proposed to estimate the three parameters. The first analytic method is based on a new concept of delay time ratio for estimating Kv and Sske of an aquitard subject to long-term stable, cyclic hydraulic head changes at boundaries. The second analytic method estimates the Sskv of the aquitard subject to linearly declining hydraulic heads at boundaries. Both methods are based on analytical solutions for flow within the aquitard, and they are jointly employed to obtain the three parameter estimates. This joint analytic method is applied to estimate the Kv , Sske , and Sskv of a 34.54-m thick aquitard for which the deformation progress has been recorded by an extensometer located in Shanghai, China. The estimated results are then calibrated by PEST (Doherty 2005), a parameter estimation code coupled with a one-dimensional aquitard-drainage model. The Kv and Sske estimated by the joint analytic method are quite close to those estimated via inverse modeling and performed much better in simulating elastic deformation than the estimates obtained from the stress-strain diagram method of Ye and Xue (2005). The newly proposed joint analytic method is an effective tool that provides reasonable initial values for calibrating land subsidence models.
Individualizing amikacin regimens: accurate method to achieve therapeutic concentrations.
Zaske, D E; Cipolle, R J; Rotschafer, J C; Kohls, P R; Strate, R G
Amikacin's pharmacokinetics and dosage requirements were studied in 98 patients receiving treatment for gram-negative infections. A wide interpatient variation in the kinetic parameters of the drug occurred in all patients and in patients who had normal serum creatinine levels or normal creatinine clearance. The half-life ranged from 0.7 to 14.4 h in 74 patients who had normal serum creatinine levels and from 0.7 to 7.2 h in 37 patients who had normal creatinine clearance. The necessary daily dose to obtain therapeutic serum concentrations ranged from 1.25 to 57 mg/kg in patients with normal serum creatinine levels and from 10 to 57 mg/kg in patients with normal creatinine clearance. In four patients (4%), a significant change in baseline serum creatinine level (greater than 0.5 mg/dl) occurred during or after treatment, which may have been amikacin-associated toxicity. Overt ototoxicity occurred in one patient. The method of individualizing dosage regimens provided a clinically useful means of rapidly attaining therapeutic peak and trough serum concentrations.
Development of an Analytical Method for Explosive Residues in Soil,
block number) FIELD GROUP SUB-GROUP Analytical methods High - performance liquid chromatography Contaminated soils Soils Explosives % 19. ABSTRACT (Continue...and high - performance liquid chromatography tion limits for linear calibration curves. Analytical electrochemical detection. Journal of Chromatography... performance liquid chromatography . 5. Soils. 1. Walsh, Mari- anne E. 1. United States. Army. Corps of Engineers. 11. Cold Regions Research and
Learner Language Analytic Methods and Pedagogical Implications
ERIC Educational Resources Information Center
Dyson, Bronwen
Methods for analysing interlanguage have long aimed to capture learner language in its own right. By surveying the cognitive methods of Error Analysis, Obligatory Occasion Analysis and Frequency Analysis, this paper traces reformulations to attain this goal. The paper then focuses on Emergence Analysis, which fine-tunes learner language analysis…
40 CFR 141.704 - Analytical methods.
Code of Federal Regulations, 2013 CFR
... Cryptosporidium using Method 1623: Cryptosporidium and Giardia in Water by Filtration/IMS/FA, 2005, United States Environmental Protection Agency, EPA-815-R-05-002 or Method 1622: Cryptosporidium in Water by Filtration/IMS/FA... 141.704 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER...
40 CFR 141.704 - Analytical methods.
Code of Federal Regulations, 2012 CFR
... Cryptosporidium using Method 1623: Cryptosporidium and Giardia in Water by Filtration/IMS/FA, 2005, United States Environmental Protection Agency, EPA-815-R-05-002 or Method 1622: Cryptosporidium in Water by Filtration/IMS/FA... 141.704 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER...
7 CFR 98.4 - Analytical methods.
Code of Federal Regulations, 2010 CFR
... MEALS, READY-TO-EAT (MRE's), MEATS, AND MEAT PRODUCTS MRE's, Meats, and Related Meat Food Products § 98... perform analyses of meat, meat food products and MRE's are listed as follows: (1) Official Methods...
7 CFR 98.4 - Analytical methods.
Code of Federal Regulations, 2011 CFR
... MEALS, READY-TO-EAT (MRE's), MEATS, AND MEAT PRODUCTS MRE's, Meats, and Related Meat Food Products § 98... perform analyses of meat, meat food products and MRE's are listed as follows: (1) Official Methods...
Keeping the edge: an accurate numerical method to solve the stream power law
NASA Astrophysics Data System (ADS)
Campforts, B.; Govers, G.
Bedrock rivers set the base level of surrounding hill slopes and mediate the dynamic interplay between mountain building and denudation. The propensity of rivers to preserve pulses of increased tectonic uplift also allows to reconstruct long term uplift histories from longitudinal river profiles. An accurate reconstruction of river profile development at different timescales is therefore essential. Long term river development is typically modeled by means of the stream power law. Under specific conditions this equation can be solved analytically but numerical Finite Difference Methods (FDMs) are most frequently used. Nonetheless, FDMs suffer from numerical smearing, especially at knickpoint zones which are key to understand transient landscapes. Here, we solve the stream power law by means of a Finite Volume Method (FVM) which is Total Variation Diminishing (TVD). Total volume methods are designed to simulate sharp discontinuities making them very suitable to model river incision. In contrast to FDMs, the TVD_FVM is well capable of preserving knickpoints as illustrated for the fast propagating Niagara falls. Moreover, we show that the TVD_FVM performs much better when reconstructing uplift at timescales exceeding 100 Myr, using Eastern Australia as an example. Finally, uncertainty associated with parameter calibration is dramatically reduced when the TVD_FVM is applied. Therefore, the use of a TVD_FVM to understand long term landscape evolution is an important addition to the toolbox at the disposition of geomorphologists.
Physalis method for heterogeneous mixtures of dielectrics and conductors: Accurately simulating one million particles using a PC
NASA Astrophysics Data System (ADS)
Liu, Qianlong
Prosperetti's seminal Physalis method, an Immersed Boundary/spectral method, had been used extensively to investigate fluid flows with suspended solid particles. Its underlying idea of creating a cage and using a spectral general analytical solution around a discontinuity in a surrounding field as a computational mechanism to enable the accommodation of physical and geometric discontinuities is a general concept, and can be applied to other problems of importance to physics, mechanics, and chemistry. In this paper we provide a foundation for the application of this approach to the determination of the distribution of electric charge in heterogeneous mixtures of dielectrics and conductors. The proposed Physalis method is remarkably accurate and efficient. In the method, a spectral analytical solution is used to tackle the discontinuity and thus the discontinuous boundary conditions at the interface of two media are satisfied exactly. Owing to the hybrid finite difference and spectral schemes, the method is spectrally accurate if the modes are not sufficiently resolved, while higher than second-order accurate if the modes are sufficiently resolved, for the solved potential field. Because of the features of the analytical solutions, the derivative quantities of importance, such as electric field, charge distribution, and force, have the same order of accuracy as the solved potential field during postprocessing. This is an important advantage of the Physalis method over other numerical methods involving interpolation, differentiation, and integration during postprocessing, which may significantly degrade the accuracy of the derivative quantities of importance. The analytical solutions enable the user to use relatively few mesh points to accurately represent the regions of discontinuity. In addition, the spectral convergence and a linear relationship between the cost of computer memory/computation and particle numbers results in a very efficient method. In the present
40 CFR 141.704 - Analytical methods.
Code of Federal Regulations, 2014 CFR
.... (b) E. coli. System must use methods for enumeration of E. coli in source water approved in § 136.3(a... of an E. coli sample for up to 48 hours between sample collection and initiation of analysis if the State determines that analyzing an E. coli sample within 30 hours is not feasible. E. coli samples...
7 CFR 91.23 - Analytical methods.
Code of Federal Regulations, 2013 CFR
... are used. The manuals of standard methods most often used by the Science and Technology laboratories... Examination of Foods, Carl Vanderzant and Don Splittstoesser (Editors), American Public Health Association..., Building 4/D, 700 Robbins Avenue, Philadelphia, PA 19111-5094. (n) U.S. Food and Drug...
7 CFR 91.23 - Analytical methods.
Code of Federal Regulations, 2010 CFR
... are used. The manuals of standard methods most often used by the Science and Technology laboratories... Examination of Foods, Carl Vanderzant and Don Splittstoesser (Editors), American Public Health Association..., Building 4/D, 700 Robbins Avenue, Philadelphia, PA 19111-5094. (n) U.S. Food and Drug...
This innovative technology evaluation report (ITER) presents information on the demonstration of the U.S. Environmental Protection Agency (EPA) Region 7 Superfund Field Analytical Screening Program (FASP) method for determining polychlorinated biphenyl (PCB) contamination in soil...
Methods for Estimating Uncertainty in Factor Analytic Solutions
The EPA PMF (Environmental Protection Agency positive matrix factorization) version 5.0 and the underlying multilinear engine-executable ME-2 contain three methods for estimating uncertainty in factor analytic models: classical bootstrap (BS), displacement of factor elements (DI...
Analytical chemistry methods for mixed oxide fuel, March 1985
Not Available
This standard provides analytical chemistry methods for the analysis of materials used to produce mixed oxide fuel. These materials are ceramic fuel and insulator pellets and the plutonium and uranium oxides and nitrates used to fabricate these pellets.
A DPF Analysis Yields Quantum Mechanically Accurate Analytic Potential Energy Functions for the a ^1Σ^+ and X ^1Σ^+ States of NaH
NASA Astrophysics Data System (ADS)
Le Roy, Robert J.; Walji, Sadru; Sentjens, Katherine
Alkali hydride diatomic molecules have long been the object of spectroscopic studies. However, their small reduced mass makes them species for which the conventional semiclassical-based methods of analysis tend to have the largest errors. To date, the only quantum-mechanically accurate direct-potential-fit (DPF) analysis for one of these molecules was the one for LiH reported by Coxon and Dickinson. The present paper extends this level of analysis to NaH, and reports a DPF analysis of all available spectroscopic data for the A ^1Σ^+-X ^1Σ^+ system of NaH which yields analytic potential energy functions for these two states that account for those data (on average) to within the experimental uncertainties. W.C. Stwalley, W.T. Zemke and S.C. Yang, J. Phys. Chem. Ref. Data {20}, 153-187 (1991). J.A. Coxon and C.S. Dickinson, J. Chem. Phys. {121}, 8378 (2004).
40 CFR 141.89 - Analytical methods.
Code of Federal Regulations, 2011 CFR
....005 mg/L. The Practical Quantitation Level, or PQL for lead is 0.005 mg/L. (B) For Copper: ±10 percent... equal to 0.050 mg/L. The Practical Quantitation Level, or PQL for copper is 0.050 mg/L. (iii) Achieve the method detection limit for lead of 0.001 mg/L according to the procedures in appendix B of...
40 CFR 141.89 - Analytical methods.
Code of Federal Regulations, 2010 CFR
....005 mg/L. The Practical Quantitation Level, or PQL for lead is 0.005 mg/L. (B) For Copper: ±10 percent... equal to 0.050 mg/L. The Practical Quantitation Level, or PQL for copper is 0.050 mg/L. (iii) Achieve the method detection limit for lead of 0.001 mg/L according to the procedures in appendix B of...
Analytical techniques for instrument design - matrix methods
Robinson, R.A.
We take the traditional Cooper-Nathans approach, as has been applied for many years for steady-state triple-axis spectrometers, and consider its generalisation to other inelastic scattering spectrometers. This involves a number of simple manipulations of exponentials of quadratic forms. In particular, we discuss a toolbox of matrix manipulations that can be performed on the 6- dimensional Cooper-Nathans matrix: diagonalisation (Moller-Nielsen method), coordinate changes e.g. from ({Delta}k{sub I},{Delta}k{sub F} to {Delta}E, {Delta}Q & 2 dummy variables), integration of one or more variables (e.g. over such dummy variables), integration subject to linear constraints (e.g. Bragg`s Law for analysers), inversion to give the variance-covariance matrix, and so on. We show how these tools can be combined to solve a number of important problems, within the narrow-band limit and the gaussian approximation. We will argue that a generalised program that can handle multiple different spectrometers could (and should) be written in parallel to the Monte-Carlo packages that are becoming available. We will also discuss the complementarity between detailed Monte-Carlo calculations and the approach presented here. In particular, Monte-Carlo methods traditionally simulate the real experiment as performed in practice, given a model scattering law, while the Cooper-Nathans method asks the inverse question: given that a neutron turns up in a particular spectrometer configuration (e.g. angle and time of flight), what is the probability distribution of possible scattering events at the sample? The Monte-Carlo approach could be applied in the same spirit to this question.
Handbook of Analytical Methods for Textile Composites
NASA Technical Reports Server (NTRS)
Cox, Brian N.; Flanagan, Gerry
The purpose of this handbook is to introduce models and computer codes for predicting the properties of textile composites. The handbook includes several models for predicting the stress-strain response all the way to ultimate failure; methods for assessing work of fracture and notch sensitivity; and design rules for avoiding certain critical mechanisms of failure, such as delamination, by proper textile design. The following textiles received some treatment: 2D woven, braided, and knitted/stitched laminates and 3D interlock weaves, and braids.
Relativistic mirrors in laser plasmas (analytical methods)
NASA Astrophysics Data System (ADS)
Bulanov, S. V.; Esirkepov, T. Zh; Kando, M.; Koga, J.
Relativistic flying mirrors in plasmas are realized as thin dense electron (or electron-ion) layers accelerated by high-intensity electromagnetic waves to velocities close to the speed of light in vacuum. The reflection of an electromagnetic wave from the relativistic mirror results in its energy and frequency changing. In a counter-propagation configuration, the frequency of the reflected wave is multiplied by the factor proportional to the Lorentz factor squared. This scientific area promises the development of sources of ultrashort x-ray pulses in the attosecond range. The expected intensity will reach the level at which the effects predicted by nonlinear quantum electrodynamics start to play a key role. We present an overview of theoretical methods used to describe relativistic flying, accelerating, oscillating mirrors emerging in intense laser-plasma interactions.
Fracture mechanics life analytical methods verification testing
NASA Technical Reports Server (NTRS)
Favenesi, J. A.; Clemmons, T. G.; Lambert, T. J.
Verification and validation of the basic information capabilities in NASCRAC has been completed. The basic information includes computation of K versus a, J versus a, and crack opening area versus a. These quantities represent building blocks which NASCRAC uses in its other computations such as fatigue crack life and tearing instability. Several methods were used to verify and validate the basic information capabilities. The simple configurations such as the compact tension specimen and a crack in a finite plate were verified and validated versus handbook solutions for simple loads. For general loads using weight functions, offline integration using standard FORTRAN routines was performed. For more complicated configurations such as corner cracks and semielliptical cracks, NASCRAC solutions were verified and validated versus published results and finite element analyses. A few minor problems were identified in the basic information capabilities of the simple configurations. In the more complicated configurations, significant differences between NASCRAC and reference solutions were observed because NASCRAC calculates its solutions as averaged values across the entire crack front whereas the reference solutions were computed for a single point.
Fracture mechanics life analytical methods verification testing
NASA Technical Reports Server (NTRS)
Favenesi, J. A.; Clemons, T. G.; Riddell, W. T.; Ingraffea, A. R.; Wawrzynek, P. A.
The objective was to evaluate NASCRAC (trademark) version 2.0, a second generation fracture analysis code, for verification and validity. NASCRAC was evaluated using a combination of comparisons to the literature, closed-form solutions, numerical analyses, and tests. Several limitations and minor errors were detected. Additionally, a number of major flaws were discovered. These major flaws were generally due to application of a specific method or theory, not due to programming logic. Results are presented for the following program capabilities: K versus a, J versus a, crack opening area, life calculation due to fatigue crack growth, tolerable crack size, proof test logic, tearing instability, creep crack growth, crack transitioning, crack retardation due to overloads, and elastic-plastic stress redistribution. It is concluded that the code is an acceptable fracture tool for K solutions of simplified geometries, for a limited number of J and crack opening area solutions, and for fatigue crack propagation with the Paris equation and constant amplitude loads when the Paris equation is applicable.
Analytical instruments, ionization sources, and ionization methods
Atkinson, David A.; Mottishaw, Paul
Methods and apparatus for simultaneous vaporization and ionization of a sample in a spectrometer prior to introducing the sample into the drift tube of the analyzer are disclosed. The apparatus includes a vaporization/ionization source having an electrically conductive conduit configured to receive sample particulate which is conveyed to a discharge end of the conduit. Positioned proximate to the discharge end of the conduit is an electrically conductive reference device. The conduit and the reference device act as electrodes and have an electrical potential maintained between them sufficient to cause a corona effect, which will cause at least partial simultaneous ionization and vaporization of the sample particulate. The electrical potential can be maintained to establish a continuous corona, or can be held slightly below the breakdown potential such that arrival of particulate at the point of proximity of the electrodes disrupts the potential, causing arcing and the corona effect. The electrical potential can also be varied to cause periodic arcing between the electrodes such that particulate passing through the arc is simultaneously vaporized and ionized. The invention further includes a spectrometer containing the source. The invention is particularly useful for ion mobility spectrometers and atmospheric pressure ionization mass spectrometers.
Accurate ab initio potential energy computations for the H sub 4 system: Tests of some analytic potential energy surfaces
Boothroyd, A.I. ); Dove, J.E.; Keogh, W.J. ); Martin, P.G. ); Peterson, M.R. )
The interaction potential energy surface (PES) of H{sub 4} is of great importance for quantum chemistry, as a test case for molecule--molecule interactions. It is also required for a detailed understanding of certain astrophysical processes, namely, collisional excitation and dissociation of H{sub 2} in molecular clouds, at densities too low to be accessible experimentally. Accurate {ital ab} {ital initio} energies were computed for 6046 conformations of H{sub 4}, using a multiple reference (single and) double excitation configuration interaction (MRD-CI) program. Both systematic and random'' errors were estimated to have an rms size of 0.6 mhartree, for a total rms error of about 0.9 mhartree (or 0.55 kcal/mol) in the final {ital ab} {ital initio} energy values. It proved possible to include in a self-consistent way {ital ab} {ital initio} energies calculated by Schwenke, bringing the number of H{sub 4} conformations to 6101. {ital Ab} {ital initio} energies were also computed for 404 conformations of H{sub 3}; adding {ital ab} {ital initio} energies calculated by other authors yielded a total of 772 conformations of H{sub 3}. (The H{sub 3} results, and an improved analytic PES for H{sub 3}, are reported elsewhere.) {ital Ab} {ital initio} energies are tabulated in this paper only for a sample of H{sub 4} conformations; a full list of all 6101 conformations of H{sub 4} (and 772 conformations of H{sub 3} ) is available from Physics Auxiliary Publication Service (PAPS), or from the authors.
Critical node treatment in the analytic function expansion method for Pin Power Reconstruction
Gao, Z.; Xu, Y.; Downar, T.
Pin Power Reconstruction (PPR) was implemented in PARCS using the eight term analytic function expansion method (AFEN). This method has been demonstrated to be both accurate and efficient. However, similar to all the methods involving analytic functions, such as the analytic node method (ANM) and AFEN for nodal solution, the use of AFEN for PPR also has potential numerical issue with critical nodes. The conventional analytic functions are trigonometric or hyperbolic sine or cosine functions with an angular frequency proportional to buckling. For a critic al node the buckling is zero and the sine functions becomes zero, and the cosine function become unity. In this case, the eight terms of the analytic functions are no longer distinguishable from ea ch other which makes their corresponding coefficients can no longer be determined uniquely. The mode flux distribution of critical node can be linear while the conventional analytic functions can only express a uniform distribution. If there is critical or near critical node in a plane, the reconstructed pin power distribution is often be shown negative or very large values using the conventional method. In this paper, we propose a new method to avoid the numerical problem wit h critical nodes which uses modified trigonometric or hyperbolic sine functions which are the ratio of trigonometric or hyperbolic sine and its angular frequency. If there are no critical or near critical nodes present, the new pin power reconstruction method with modified analytic functions are equivalent to the conventional analytic functions. The new method is demonstrated using the L336C5 benchmark problem. (authors)
Accurate analytical measurements in the atomic force microscope: a microfabricated spring constant standard potentially traceable to the SI
NASA Astrophysics Data System (ADS)
Cumpson, Peter J.; Hedley, John
Calibration of atomic force microscope (AFM) cantilevers is necessary for the measurement of nanonewton and piconewton forces, which are critical to analytical applications of AFM in the analysis of polymer surfaces, biological structures and organic molecules at nanoscale lateral resolution. We have developed a compact and easy-to-use reference artefact for this calibration, using a method that allows traceability to the SI (Système International). Traceability is crucial to ensure that force measurements by AFM are comparable to those made by optical tweezers and other methods. The new non-contact calibration method measures the spring constant of these artefacts, by a combination of electrical measurements and Doppler velocimetry. The device was fabricated by silicon surface micromachining. The device allows AFM cantilevers to be calibrated quite easily by the 'cantilever-on-reference' method, with our reference device having a spring constant uncertainty of around ± 5% at one standard deviation. A simple substitution of the analogue velocimeter used in this work with a digital model should reduce this uncertainty to around ± 2%. Both are significant improvements on current practice, and allow traceability to the SI for the first time at these nanonewton levels.
The extended Koopmans' theorem for orbital-optimized methods: accurate computation of ionization potentials.
Bozkaya, Uğur
The extended Koopmans' theorem (EKT) provides a straightforward way to compute ionization potentials (IPs) from any level of theory, in principle. However, for non-variational methods, such as Møller-Plesset perturbation and coupled-cluster theories, the EKT computations can only be performed as by-products of analytic gradients as the relaxed generalized Fock matrix (GFM) and one- and two-particle density matrices (OPDM and TPDM, respectively) are required [J. Cioslowski, P. Piskorz, and G. Liu, J. Chem. Phys. 107, 6804 (1997)]. However, for the orbital-optimized methods both the GFM and OPDM are readily available and symmetric, as opposed to the standard post Hartree-Fock (HF) methods. Further, the orbital optimized methods solve the N-representability problem, which may arise when the relaxed particle density matrices are employed for the standard methods, by disregarding the orbital Z-vector contributions for the OPDM. Moreover, for challenging chemical systems, where spin or spatial symmetry-breaking problems are observed, the abnormal orbital response contributions arising from the numerical instabilities in the HF molecular orbital Hessian can be avoided by the orbital-optimization. Hence, it appears that the orbital-optimized methods are the most natural choice for the study of the EKT. In this research, the EKT for the orbital-optimized methods, such as orbital-optimized second- and third-order Møller-Plesset perturbation [U. Bozkaya, J. Chem. Phys. 135, 224103 (2011)] and coupled-electron pair theories [OCEPA(0)] [U. Bozkaya and C. D. Sherrill, J. Chem. Phys. 139, 054104 (2013)], are presented. The presented methods are applied to IPs of the second- and third-row atoms, and closed- and open-shell molecules. Performances of the orbital-optimized methods are compared with those of the counterpart standard methods. Especially, results of the OCEPA(0) method (with the aug-cc-pVTZ basis set) for the lowest IPs of the considered atoms and closed
Applying an analytical method to study neutron behavior for dosimetry
NASA Astrophysics Data System (ADS)
Shirazi, S. A. Mousavi
In this investigation, a new dosimetry process is studied by applying an analytical method. This novel process is associated with a human liver tissue. The human liver tissue has compositions including water, glycogen and etc. In this study, organic compound materials of liver are decomposed into their constituent elements based upon mass percentage and density of every element. The absorbed doses are computed by analytical method in all constituent elements of liver tissue. This analytical method is introduced applying mathematical equations based on neutron behavior and neutron collision rules. The results show that the absorbed doses are converged for neutron energy below 15MeV. This method can be applied to study the interaction of neutrons in other tissues and estimating the absorbed dose for a wide range of neutron energy.
Applications of nuclear analytical methods to materials analysis
Jones, K.W.; Hanson, A.L.; Kraner, H.W.
Nuclear analytical methods have now become important in the characterization of many types of materials and have been shown to be an extremely important extension of many more common methods. To illustrate the breadth of their use, some recent Brookhaven experiments are described that deal with the depth distribution of hydrogen in Nb-H alloys, the diffusion of Mo in graphite at high temperatures, and the measurement of Al and Si concentrations in zeolite catalysts. It is hoped that the presentation of these illustrative examples will serve as a stimulus and encouragement for the further application of nuclear analytical methods.
An improved 3D MoF method based on analytical partial derivatives
NASA Astrophysics Data System (ADS)
Chen, Xiang; Zhang, Xiong
MoF (Moment of Fluid) method is one of the most accurate approaches among various surface reconstruction algorithms. As other second order methods, MoF method needs to solve an implicit optimization problem to obtain the optimal approximate surface. Therefore, the partial derivatives of the objective function have to be involved during the iteration for efficiency and accuracy. However, to the best of our knowledge, the derivatives are currently estimated numerically by finite difference approximation because it is very difficult to obtain the analytical derivatives of the object function for an implicit optimization problem. Employing numerical derivatives in an iteration not only increase the computational cost, but also deteriorate the convergence rate and robustness of the iteration due to their numerical error. In this paper, the analytical first order partial derivatives of the objective function are deduced for 3D problems. The analytical derivatives can be calculated accurately, so they are incorporated into the MoF method to improve its accuracy, efficiency and robustness. Numerical studies show that by using the analytical derivatives the iterations are converged in all mixed cells with the efficiency improvement of 3 to 4 times.
The Field Analytical Screening Program (FASP) pentachlorophenol (PCP) method uses a gas chromatograph (GC) equipped with a megabore capillary column and flame ionization detector (FID) and electron capture detector (ECD) to identify and quantify PCP. The FASP PCP method is design...
Computer Subroutines for Analytic Rotation by Two Gradient Methods.
ERIC Educational Resources Information Center
van Thillo, Marielle
Two computer subroutine packages for the analytic rotation of a factor matrix, A(p x m), are described. The first program uses the Flectcher (1970) gradient method, and the second uses the Polak-Ribiere (Polak, 1971) gradient method. The calculations in both programs involve the optimization of a function of free parameters. The result is a…
Development of quality-by-design analytical methods.
Vogt, Frederick G; Kord, Alireza S
Quality-by-design (QbD) is a systematic approach to drug development, which begins with predefined objectives, and uses science and risk management approaches to gain product and process understanding and ultimately process control. The concept of QbD can be extended to analytical methods. QbD mandates the definition of a goal for the method, and emphasizes thorough evaluation and scouting of alternative methods in a systematic way to obtain optimal method performance. Candidate methods are then carefully assessed in a structured manner for risks, and are challenged to determine if robustness and ruggedness criteria are satisfied. As a result of these studies, the method performance can be understood and improved if necessary, and a control strategy can be defined to manage risk and ensure the method performs as desired when validated and deployed. In this review, the current state of analytical QbD in the industry is detailed with examples of the application of analytical QbD principles to a range of analytical methods, including high-performance liquid chromatography, Karl Fischer titration for moisture content, vibrational spectroscopy for chemical identification, quantitative color measurement, and trace analysis for genotoxic impurities.
Robust and Accurate Shock Capturing Method for High-Order Discontinuous Galerkin Methods
NASA Technical Reports Server (NTRS)
Atkins, Harold L.; Pampell, Alyssa
A simple yet robust and accurate approach for capturing shock waves using a high-order discontinuous Galerkin (DG) method is presented. The method uses the physical viscous terms of the Navier-Stokes equations as suggested by others; however, the proposed formulation of the numerical viscosity is continuous and compact by construction, and does not require the solution of an auxiliary diffusion equation. This work also presents two analyses that guided the formulation of the numerical viscosity and certain aspects of the DG implementation. A local eigenvalue analysis of the DG discretization applied to a shock containing element is used to evaluate the robustness of several Riemann flux functions, and to evaluate algorithm choices that exist within the underlying DG discretization. A second analysis examines exact solutions to the DG discretization in a shock containing element, and identifies a "model" instability that will inevitably arise when solving the Euler equations using the DG method. This analysis identifies the minimum viscosity required for stability. The shock capturing method is demonstrated for high-speed flow over an inviscid cylinder and for an unsteady disturbance in a hypersonic boundary layer. Numerical tests are presented that evaluate several aspects of the shock detection terms. The sensitivity of the results to model parameters is examined with grid and order refinement studies.
A new method for constructing analytic elements for groundwater flow.
NASA Astrophysics Data System (ADS)
Strack, O. D.
The analytic element method is based upon the superposition of analytic functions that are defined throughout the infinite domain, and can be used to meet a variety of boundary conditions. Analytic elements have been use successfully for a number of problems, mainly dealing with the Poisson equation (see, e.g., Theory and Applications of the Analytic Element Method, Reviews of Geophysics, 41,2/1005 2003 by O.D.L. Strack). The majority of these analytic elements consists of functions that exhibit jumps along lines or curves. Such linear analytic elements have been developed also for other partial differential equations, e.g., the modified Helmholz equation and the heat equation, and were constructed by integrating elementary solutions, the point sink and the point doublet, along a line. This approach is limiting for two reasons. First, the existence is required of the elementary solutions, and, second, the integration tends to limit the range of solutions that can be obtained. We present a procedure for generating analytic elements that requires merely the existence of a harmonic function with the desired properties; such functions exist in abundance. The procedure to be presented is used to generalize this harmonic function in such a way that the resulting expression satisfies the applicable differential equation. The approach will be applied, along with numerical examples, for the modified Helmholz equation and for the heat equation, while it is noted that the method is in no way restricted to these equations. The procedure is carried out entirely in terms of complex variables, using Wirtinger calculus.
Beamforming and holography image formation methods: an analytic study.
Solimene, Raffaele; Cuccaro, Antonio; Ruvio, Giuseppe; Tapia, Daniel Flores; O'Halloran, Martin
Beamforming and holographic imaging procedures are widely used in many applications such as radar sensing, sonar, and in the area of microwave medical imaging. Nevertheless, an analytical comparison of the methods has not been done. In this paper, the Point Spread Functions pertaining to the two methods are analytically determined. This allows a formal comparison of the two techniques, and to easily highlight how the performance depends on the configuration parameters, including frequency range, number of scatterers, and data discretization. It is demonstrated that the beamforming and holography basically achieve the same resolution but beamforming requires a cheaper (less sensors) configuration..
Accurate compressed look up table method for CGH in 3D holographic display.
Gao, Chuan; Liu, Juan; Li, Xin; Xue, Gaolei; Jia, Jia; Wang, Yongtian
Computer generated hologram (CGH) should be obtained with high accuracy and high speed in 3D holographic display, and most researches focus on the high speed. In this paper, a simple and effective computation method for CGH is proposed based on Fresnel diffraction theory and look up table. Numerical simulations and optical experiments are performed to demonstrate its feasibility. The proposed method can obtain more accurate reconstructed images with lower memory usage compared with split look up table method and compressed look up table method without sacrificing the computational speed in holograms generation, so it is called accurate compressed look up table method (AC-LUT). It is believed that AC-LUT method is an effective method to calculate the CGH of 3D objects for real-time 3D holographic display where the huge information data is required, and it could provide fast and accurate digital transmission in various dynamic optical fields in the future.
Ground water modeling applications using the analytic element method.
Hunt, Randall J
Though powerful and easy to use, applications of the analytic element method are not as widespread as finite-difference or finite-element models due in part to their relative youth. Although reviews that focus primarily on the mathematical development of the method have appeared in the literature, a systematic review of applications of the method is not available. An overview of the general types of applications of analytic elements in ground water modeling is provided in this paper. While not fully encompassing, the applications described here cover areas where the method has been historically applied (regional, two-dimensional steady-state models, analyses of ground water-surface water interaction, quick analyses and screening models, wellhead protection studies) as well as more recent applications (grid sensitivity analyses, estimating effective conductivity and dispersion in highly heterogeneous systems). The review of applications also illustrates areas where more method development is needed (three-dimensional and transient simulations).
40 CFR 161.180 - Enforcement analytical method.
Code of Federal Regulations, 2010 CFR
... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Enforcement analytical method. 161.180 Section 161.180 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR REGISTRATION OF ANTIMICROBIAL PESTICIDES Product Chemistry Data...
40 CFR 161.180 - Enforcement analytical method.
Code of Federal Regulations, 2012 CFR
... 40 Protection of Environment 25 2012-07-01 2012-07-01 false Enforcement analytical method. 161.180 Section 161.180 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR REGISTRATION OF ANTIMICROBIAL PESTICIDES Product Chemistry Data...
Analytical chemistry methods for metallic core components: Revision March 1985
Not Available
This standard provides analytical chemistry methods for the analysis of alloys used to fabricate core components. These alloys are 302, 308, 316, 316-Ti, and 321 stainless steels and 600 and 718 Inconels and they may include other 300-series stainless steels.
Analytical methods for dating modern writing instrument inks on paper.
Ezcurra, Magdalena; Góngora, Juan M G; Maguregui, Itxaso; Alonso, Rosa
This work reviews the different analytical methods that have been proposed in the field of forensic dating of inks from different modern writing instruments. The reported works have been classified according to the writing instrument studied and the ink component analyzed in relation to aging. The study, done chronologically, shows the advances experienced in the ink dating field in the last decades.
The Contaminant Candidate List (CCL), which was promulgated in March 1998, includes 50 chemical and 10 microbiological contaminants/contaminant groups. At the time of promulgation, analytical methods were available for 6 inorganic and 28 organic contaminants. Since then, 4 anal...
40 CFR 161.180 - Enforcement analytical method.
Code of Federal Regulations, 2011 CFR
... 40 Protection of Environment 24 2011-07-01 2011-07-01 false Enforcement analytical method. 161.180 Section 161.180 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR REGISTRATION OF ANTIMICROBIAL PESTICIDES Product Chemistry Data...
40 CFR 161.180 - Enforcement analytical method.
Code of Federal Regulations, 2013 CFR
... 40 Protection of Environment 25 2013-07-01 2013-07-01 false Enforcement analytical method. 161.180 Section 161.180 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR REGISTRATION OF ANTIMICROBIAL PESTICIDES Product Chemistry Data...
Literature Review on Processing and Analytical Methods for ...
Report The purpose of this report was to survey the open literature to determine the current state of the science regarding the processing and analytical methods currently available for recovery of F. tularensis from water and soil matrices, and to determine what gaps remain in the collective knowledge concerning F. tularensis identification from environmental samples.
Simple, flexible, and accurate phase retrieval method for generalized phase-shifting interferometry.
Yatabe, Kohei; Ishikawa, Kenji; Oikawa, Yasuhiro
This paper presents a non-iterative phase retrieval method from randomly phase-shifted fringe images. By combining the hyperaccurate least squares ellipse fitting method with the subspace method (usually called the principal component analysis), a fast and accurate phase retrieval algorithm is realized. The proposed method is simple, flexible, and accurate. It can be easily coded without iteration, initial guess, or tuning parameter. Its flexibility comes from the fact that totally random phase-shifting steps and any number of fringe images greater than two are acceptable without any specific treatment. Finally, it is accurate because the hyperaccurate least squares method and the modified subspace method enable phase retrieval with a small error as shown by the simulations. A MATLAB code, which is used in the experimental section, is provided within the paper to demonstrate its simplicity and easiness.
A GPU code for analytic continuation through a sampling method
NASA Astrophysics Data System (ADS)
Nordström, Johan; Schött, Johan; Locht, Inka L. M.; Di Marco, Igor
We here present a code for performing analytic continuation of fermionic Green's functions and self-energies as well as bosonic susceptibilities on a graphics processing unit (GPU). The code is based on the sampling method introduced by Mishchenko et al. (2000), and is written for the widely used CUDA platform from NVidia. Detailed scaling tests are presented, for two different GPUs, in order to highlight the advantages of this code with respect to standard CPU computations. Finally, as an example of possible applications, we provide the analytic continuation of model Gaussian functions, as well as more realistic test cases from many-body physics.
Analytical difficulties facing today's regulatory laboratories: issues in method validation.
MacNeil, James D
The challenges facing analytical laboratories today are not unlike those faced in the past, although both the degree of complexity and the rate of change have increased. Challenges such as development and maintenance of expertise, maintenance and up-dating of equipment, and the introduction of new test methods have always been familiar themes for analytical laboratories, but international guidelines for laboratories involved in the import and export testing of food require management of such changes in a context which includes quality assurance, accreditation, and method validation considerations. Decisions as to when a change in a method requires re-validation of the method or on the design of a validation scheme for a complex multi-residue method require a well-considered strategy, based on a current knowledge of international guidance documents and regulatory requirements, as well the laboratory's quality system requirements. Validation demonstrates that a method is 'fit for purpose', so the requirement for validation should be assessed in terms of the intended use of a method and, in the case of change or modification of a method, whether that change or modification may affect a previously validated performance characteristic. In general, method validation involves method scope, calibration-related parameters, method precision, and recovery. Any method change which may affect method scope or any performance parameters will require re-validation. Some typical situations involving change in methods are discussed and a decision process proposed for selection of appropriate validation measures.
Use of scientometrics to assess nuclear and other analytical methods
Lyon, W.S.
Scientometrics involves the use of quantitative methods to investigate science viewed as an information process. Scientometric studies can be useful in ascertaining which methods have been most employed for various analytical determinations as well as for predicting which methods will continue to be used in the immediate future and which appear to be losing favor with the analytical community. Published papers in the technical literature are the primary source materials for scientometric studies; statistical methods and computer techniques are the tools. Recent studies have included growth and trends in prompt nuclear analysis impact of research published in a technical journal, and institutional and national representation, speakers and topics at several IAEA conferences, at modern trends in activation analysis conferences, and at other non-nuclear oriented conferences. Attempts have also been made to predict future growth of various topics and techniques. 13 refs., 4 figs., 17 tabs.
A simple analytical method to obtain achromatic waveplate retarders
NASA Astrophysics Data System (ADS)
Vilas, Jose Luis; Lazarova-Lazarova, Aleksandra
A new linear and analytical method to design achromatic retarders using waveplates is proposed. The root of this procedure is a generalization of the Hariharan method, which supposes a set of waveplates with fast axes aligned. Hence, it imposes a set of contour conditions over the overall retardation with the aim of determining the thicknesses of the waveplates. Our method proposes a polynomial approximation of the birefringences, thus removing the contour condition. Analytic expressions for calculating the thicknesses of the waveplates are then derived, showing a non-explicit dependence on the wavelength. Moreover, the overall retardation obtained by this method is close to the optimal retardation curve achieved by minimizing the merit function of the achromatism degree.
Development of Impurity Profiling Methods Using Modern Analytical Techniques.
Ramachandra, Bondigalla
This review gives a brief introduction about the process- and product-related impurities and emphasizes on the development of novel analytical methods for their determination. It describes the application of modern analytical techniques, particularly the ultra-performance liquid chromatography (UPLC), liquid chromatography-mass spectrometry (LC-MS), high-resolution mass spectrometry (HRMS), gas chromatography-mass spectrometry (GC-MS) and high-performance thin layer chromatography (HPTLC). In addition to that, the application of nuclear magnetic resonance (NMR) spectroscopy was also discussed for the characterization of impurities and degradation products. The significance of the quality, efficacy and safety of drug substances/products, including the source of impurities, kinds of impurities, adverse effects by the presence of impurities, quality control of impurities, necessity for the development of impurity profiling methods, identification of impurities and regulatory aspects has been discussed. Other important aspects that have been discussed are forced degradation studies and the development of stability indicating assay methods.
Analytical Methods for the Quantification of Histamine and Histamine Metabolites.
Bähre, Heike; Kaever, Volkhard
The endogenous metabolite histamine (HA) is synthesized in various mammalian cells but can also be ingested from exogenous sources. It is involved in a plethora of physiological and pathophysiological processes. So far, four different HA receptors (H1R-H4R) have been described and numerous HAR antagonists have been developed. Contemporary investigations regarding the various roles of HA and its main metabolites have been hampered by the lack of highly specific and sensitive analytic methods for all of these analytes. Liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS) is the method of choice for identification and sensitive quantification of many low-molecular weight endogenous metabolites. In this chapter, different methodological aspects of HA quantification as well as recommendations for LC-MS/MS methods suitable for analysis of HA and its main metabolites are summarized.
An Overview of Conventional and Emerging Analytical Methods for the Determination of Mycotoxins
Cigić, Irena Kralj; Prosen, Helena
Mycotoxins are a group of compounds produced by various fungi and excreted into the matrices on which they grow, often food intended for human consumption or animal feed. The high toxicity and carcinogenicity of these compounds and their ability to cause various pathological conditions has led to widespread screening of foods and feeds potentially polluted with them. Maximum permissible levels in different matrices have also been established for some toxins. As these are quite low, analytical methods for determination of mycotoxins have to be both sensitive and specific. In addition, an appropriate sample preparation and pre-concentration method is needed to isolate analytes from rather complicated samples. In this article, an overview of methods for analysis and sample preparation published in the last ten years is given for the most often encountered mycotoxins in different samples, mainly in food. Special emphasis is on liquid chromatography with fluorescence and mass spectrometric detection, while in the field of sample preparation various solid-phase extraction approaches are discussed. However, an overview of other analytical and sample preparation methods less often used is also given. Finally, different matrices where mycotoxins have to be determined are discussed with the emphasis on their specific characteristics important for the analysis (human food and beverages, animal feed, biological samples, environmental samples). Various issues important for accurate qualitative and quantitative analyses are critically discussed: sampling and choice of representative sample, sample preparation and possible bias associated with it, specificity of the analytical method and critical evaluation of results. PMID:19333436
Method for accurate growth of vertical-cavity surface-emitting lasers
Chalmers, S.A.; Killeen, K.P.; Lear, K.L.
The authors report a method for accurate growth of vertical-cavity surface-emitting lasers (VCSELs). The method uses a single reflectivity spectrum measurement to determine the structure of the partially completed VCSEL at a critical point of growth. This information, along with the extracted growth rates, allows imprecisions in growth parameters to be compensated for during growth of the remaining structure, which can then be completed with very accurate critical dimensions. Using this method, they can now routinely grow lasing VCSELs with Fabry-Perot cavity resonance wavelengths controlled to within 0.5%. 4 figs.
Method for accurate growth of vertical-cavity surface-emitting lasers
Chalmers, Scott A.; Killeen, Kevin P.; Lear, Kevin L.
We report a method for accurate growth of vertical-cavity surface-emitting lasers (VCSELs). The method uses a single reflectivity spectrum measurement to determine the structure of the partially completed VCSEL at a critical point of growth. This information, along with the extracted growth rates, allows imprecisions in growth parameters to be compensated for during growth of the remaining structure, which can then be completed with very accurate critical dimensions. Using this method, we can now routinely grow lasing VCSELs with Fabry-Perot cavity resonance wavelengths controlled to within 0.5%.
Accurate Analytic Potential Functions for the a ^3Π_1 and X ^1Σ^+ States of {IBr}
NASA Astrophysics Data System (ADS)
Yukiya, Tokio; Nishimiya, Nobuo; Suzuki, Masao; Le Roy, Robert
Spectra of IBr in various wavelength regions have been measured by a number of researchers using traditional diffraction grating and microwave methods, as well as using high-resolution laser techniques combined with a Fourier transform spectrometer. In a previous paper at this meeting, we reported a preliminary determination of analytic potential energy functions for the A ^3Π_1 and X ^1Σ^+ states of IBr from a direct-potential-fit (DPF) analysis of all of the data available at that time. That study also confirmed the presence of anomalous fluctuations in the v--dependence of the first differences of the inertial rotational constant, Δ Bv=Bv+1-Bv in the A ^3Π_1 state for vibrational levels with v'(A) in the mid 20's. However, our previous experience in a recent study of the analogous A ^3Π_1-X ^1Σ_g^+ system of Br_2 suggested that the effect of such fluctuations may be overcome if sufficient data are available. The present work therefore reports new measurements of transitions to levels in the v'(A)=23-26 region, together with a new global DPF analysis that uses ``robust" least-squares fits to average properly over the effect of such fluctuations in order to provide an optimum delineation of the underlying potential energy curve(s). L.E.Selin,Ark. Fys. 21,479(1962) E. Tiemann and Th. Moeller, Z. Naturforsch. A 30,986 (1975) E.M. Weinstock and A. Preston, J. Mol. Spectrosc. 70, 188 (1978) D.R.T. Appadoo, P.F. Bernath, and R.J. Le Roy, Can. J. Phys. 72, 1265 (1994) N. Nishimiya, T. Yukiya and M. Suzuki, J. Mol. Spectrosc. 173, 8 (1995). T. Yukiya, N. Nishimiya, and R.J. Le Roy, Paper MF12 at the 65th Ohio State University International Symposium on Molecular Spectroscopy, Columbus, Ohio, June 20-24, 2011. T. Yukiya, N. Nishimiya, Y. Samajima, K. Yamaguchi, M. Suzuki, C.D. Boone, I. Ozier and R.J. Le Roy, J. Mol. Spectrosc. 283, 32 (2013) J.K.G. Watson, J. Mol. Spectrosc. 219, 326 (2003).
Two Approaches in the Lunar Libration Theory: Analytical vs. Numerical Methods
NASA Astrophysics Data System (ADS)
Petrova, Natalia; Zagidullin, Arthur; Nefediev, Yurii; Kosulin, Valerii
Observation of the physical libration of the Moon and the celestial bodies is one of the astronomical methods to remotely evaluate the internal structure of a celestial body without using expensive space experiments. Review of the results obtained due to the physical libration study, is presented in the report.The main emphasis is placed on the description of successful lunar laser ranging for libration determination and on the methods of simulating the physical libration. As a result, estimation of the viscoelastic and dissipative properties of the lunar body, of the lunar core parameters were done. The core's existence was confirmed by the recent reprocessing of seismic data Apollo missions. Attention is paid to the physical interpretation of the phenomenon of free libration and methods of its determination.A significant part of the report is devoted to describing the practical application of the most accurate to date the analytical tables of lunar libration built by comprehensive analytical processing of residual differences obtained when comparing the long-term series of laser observations with numerical ephemeris DE421 [1].In general, the basic outline of the report reflects the effectiveness of two approaches in the libration theory - numerical and analytical solution. It is shown that the two approaches complement each other for the study of the Moon in different aspects: numerical approach provides high accuracy of the theory necessary for adequate treatment of modern high-accurate observations and the analytic approach allows you to see the essence of the various kind manifestations in the lunar rotation, predict and interpret the new effects in observations of physical libration [2].[1] Rambaux, N., J. G. Williams, 2011, The Moon's physical librations and determination of their free modes, Celest. Mech. Dyn. Astron., 109, 85-100.[2] Petrova N., A. Zagidullin, Yu. Nefediev. Analysis of long-periodic variations of lunar libration parameters on the basis of
Comparison between methods of analytical continuation for bosonic functions
NASA Astrophysics Data System (ADS)
Schött, J.; van Loon, E. G. C. P.; Locht, I. L. M.; Katsnelson, M. I.; Di Marco, I.
In this paper we perform a critical assessment of different known methods for the analytical continuation of bosonic functions, namely, the maximum entropy method, the non-negative least-squares method, the non-negative Tikhonov method, the Padé approximant method, and a stochastic sampling method. Four functions of different shape are investigated, corresponding to four physically relevant scenarios. They include a simple two-pole model function; two flavors of the tight-binding model on a square lattice, i.e., a single-orbital metallic system and a two-orbital insulating system; and the Hubbard dimer. The effect of numerical noise in the input data on the analytical continuation is discussed in detail. Overall, the stochastic method by A. S. Mishchenko et al. [Phys. Rev. B 62, 6317 (2000), 10.1103/PhysRevB.62.6317] is shown to be the most reliable tool for input data whose numerical precision is not known. For high-precision input data, this approach is slightly outperformed by the Padé approximant method, which combines a good-resolution power with a good numerical stability. Although none of the methods retrieves all features in the spectra in the presence of noise, our analysis provides a useful guideline for obtaining reliable information of the spectral function in cases of practical interest.
Collision-induced fragmentation accurate mass spectrometric analysis methods to rapidly characterize phytochemicals in plant extracts
Technology Transfer Automated Retrieval System (TEKTRAN)
The rapid advances in analytical chromatography equipment have made the reliable and reproducible measurement of a wide range of plant chemical components possible. Full chemical characterization of a given plant material is possible with the new mass spectrometers currently available. New methods a...
Fast Monte Carlo Electron-Photon Transport Method and Application in Accurate Radiotherapy
NASA Astrophysics Data System (ADS)
Hao, Lijuan; Sun, Guangyao; Zheng, Huaqing; Song, Jing; Chen, Zhenping; Li, Gui
Monte Carlo (MC) method is the most accurate computational method for dose calculation, but its wide application on clinical accurate radiotherapy is hindered due to its poor speed of converging and long computation time. In the MC dose calculation research, the main task is to speed up computation while high precision is maintained. The purpose of this paper is to enhance the calculation speed of MC method for electron-photon transport with high precision and ultimately to reduce the accurate radiotherapy dose calculation time based on normal computer to the level of several hours, which meets the requirement of clinical dose verification. Based on the existing Super Monte Carlo Simulation Program (SuperMC), developed by FDS Team, a fast MC method for electron-photon coupled transport was presented with focus on two aspects: firstly, through simplifying and optimizing the physical model of the electron-photon transport, the calculation speed was increased with slightly reduction of calculation accuracy; secondly, using a variety of MC calculation acceleration methods, for example, taking use of obtained information in previous calculations to avoid repeat simulation of particles with identical history; applying proper variance reduction techniques to accelerate MC method convergence rate, etc. The fast MC method was tested by a lot of simple physical models and clinical cases included nasopharyngeal carcinoma, peripheral lung tumor, cervical carcinoma, etc. The result shows that the fast MC method for electron-photon transport was fast enough to meet the requirement of clinical accurate radiotherapy dose verification. Later, the method will be applied to the Accurate/Advanced Radiation Therapy System ARTS as a MC dose verification module.
A new method to synthesize competitor RNAs for accurate analyses by competitive RT-PCR.
Ishibashi, O
A method to synthesize competitor RNAs as internal standards for competitive RT-PCR is improved by using the long accurate PCR (LA-PCR) technique. Competitor templates synthesized by the new method are almost the same in length, and possibly in secondary structure, as target mRNAs to be quantified except that they include the short deletion within the segments to be amplified. This allows the reverse transcription to be achieved with almost the same efficiency from both target mRNAs and competitor RNAs. Therefore, more accurate quantification can be accomplished by using such competitor RNAs.
Analytical Methods for Biomass Characterization during Pretreatment and Bioconversion
Pu, Yunqiao; Meng, Xianzhi; Yoo, Chang Geun; Li, Mi; Ragauskas, Arthur J
Lignocellulosic biomass has been introduced as a promising resource for alternative fuels and chemicals because of its abundance and complement for petroleum resources. Biomass is a complex biopolymer and its compositional and structural characteristics largely vary depending on its species as well as growth environments. Because of complexity and variety of biomass, understanding its physicochemical characteristics is a key for effective biomass utilization. Characterization of biomass does not only provide critical information of biomass during pretreatment and bioconversion, but also give valuable insights on how to utilize the biomass. For better understanding biomass characteristics, good grasp and proper selection of analytical methods are necessary. This chapter introduces existing analytical approaches that are widely employed for biomass characterization during biomass pretreatment and conversion process. Diverse analytical methods using Fourier transform infrared (FTIR) spectroscopy, gel permeation chromatography (GPC), and nuclear magnetic resonance (NMR) spectroscopy for biomass characterization are reviewed. In addition, biomass accessibility methods by analyzing surface properties of biomass are also summarized in this chapter.
An accurate method of extracting fat droplets in liver images for quantitative evaluation
NASA Astrophysics Data System (ADS)
Ishikawa, Masahiro; Kobayashi, Naoki; Komagata, Hideki; Shinoda, Kazuma; Yamaguchi, Masahiro; Abe, Tokiya; Hashiguchi, Akinori; Sakamoto, Michiie
The steatosis in liver pathological tissue images is a promising indicator of nonalcoholic fatty liver disease (NAFLD) and the possible risk of hepatocellular carcinoma (HCC). The resulting values are also important for ensuring the automatic and accurate classification of HCC images, because the existence of many fat droplets is likely to create errors in quantifying the morphological features used in the process. In this study we propose a method that can automatically detect, and exclude regions with many fat droplets by using the feature values of colors, shapes and the arrangement of cell nuclei. We implement the method and confirm that it can accurately detect fat droplets and quantify the fat droplet ratio of actual images. This investigation also clarifies the effective characteristics that contribute to accurate detection.
Analytical method for tributyltin and triphenyltin contained in household products-preparing for the revision of authorized analytical method-.
Nakashima, Harunobu; Tomiyama, Ken-Ichi; Kawakami, Tsuyoshi; Isama, Kazuo
In preparing for the revision of the authorized analytical method for tributyltin (TBT) and triphenyltin (TPT), which are banned from using according to the "Act on the Control of Household Products Containing Harmful Substances", an examination was conducted on the detection method of these substances using gas chromatography/mass spectrometry (GC/MS), after derivatizing them (ethyl-derivatizing method and hydrogen-derivatizing method). Ethyl-derivatized compounds had stability, which enabled the detection of TPT with a higher sensitivity. In addition, a preparation suitable for the following analytical objects was established: (1) textile products, (2) water-based products (such as water-based paint), (3) oil-based products (such as wax), and (4) adhesives. Addition-recovery experiments were conducted using the prescribed pretreatment method, when each surrogate substances (TBT-d27, TPT-d15) were added and the data were corrected, good recovery rates (94.5-118.6% in TBT, and 86.6-110.1% in TPT) were obtained. When TBT and TPT in 31 commercially available products were analyzed based on the developed analytical method, an adhesive showed 13.2 microg/g of TBT content, which exceeded the regulatory criterion (1 microg/g as tin). Next, when the same products with different manufacturing date were analyzed, TBT (10.2-10.8 microg/g), which exceeded the regulatory criterion, was detected in 4 products among 8 products, and simultaneously, a high concentration (over 1000 microg/g) of dibutyltin (DBT) was detected. It was suggested that TBT as an impurity of DBT remained, and the manufacturer chose the voluntary recall of the product. The new method is considered sufficiently applicable as a revised method for the conventionally authorized method.
Analytical method for distribution of metallic gasket contact stress
NASA Astrophysics Data System (ADS)
Feng, Xiu; Gu, Boqing; Wei, Long; Sun, Jianjun
Metallic gasket seals have been widely used in chemical and petrochemical plants. The failure of sealing system will lead to enormous pecuniary loss, serious environment pollution and personal injury accident. The failure of sealing systems is mostly caused not by the strength of flanges or bolts but by the leakage of the connections. The leakage behavior of bolted flanged connections is related to the gasket contact stress. In particular, the non-uniform distribution of this stress in the radial direction caused by the flange rotational flexibility has a major influence on the tightness of bolted flanged connections. In this paper, based on Warters method and considering the operating pressure, the deformation of the flanges is analyzed theoretically, and the formula for calculating the angle of rotation of the flanges is derived, based on which and the mechanical property of the gasket material, the method for calculating the gasket contact stresses is put forward. The maximum stress at the gasket outer flank calculated by the analytical method is lower than that obtained by numerical simulation, but the mean stresses calculated by the two methods are nearly the same. The analytical method presented in this paper can be used as an engineering method for designing the metallic gasket connections.
Analytical method for measuring cosmogenic 35S in natural waters
Uriostegui, Stephanie H.; Bibby, Richard K.; Esser, Bradley K.; ...
Here, cosmogenic sulfur-35 in water as dissolved sulfate (35SO4) has successfully been used as an intrinsic hydrologic tracer in low-SO4, high-elevation basins. Its application in environmental waters containing high SO4 concentrations has been limited because only small amounts of SO4 can be analyzed using current liquid scintillation counting (LSC) techniques. We present a new analytical method for analyzing large amounts of BaSO4 for 35S. We quantify efficiency gains when suspending BaSO4 precipitate in Inta-Gel Plus cocktail, purify BaSO4 precipitate to remove dissolved organic matter, mitigate interference of radium-226 and its daughter products by selection of high purity barium chloride, andmore » optimize LSC counting parameters for 35S determination in larger masses of BaSO4. Using this improved procedure, we achieved counting efficiencies that are comparable to published LSC techniques despite a 10-fold increase in the SO4 sample load. 35SO4 was successfully measured in high SO4 surface waters and groundwaters containing low ratios of 35S activity to SO4 mass demonstrating that this new analytical method expands the analytical range of 35SO4 and broadens the utility of 35SO4 as an intrinsic tracer in hydrologic settings.« less
Benchmark Comparison of Cloud Analytics Methods Applied to Earth Observations
NASA Technical Reports Server (NTRS)
Lynnes, Chris; Little, Mike; Huang, Thomas; Jacob, Joseph; Yang, Phil; Kuo, Kwo-Sen
Cloud computing has the potential to bring high performance computing capabilities to the average science researcher. However, in order to take full advantage of cloud capabilities, the science data used in the analysis must often be reorganized. This typically involves sharding the data across multiple nodes to enable relatively fine-grained parallelism. This can be either via cloud-based file systems or cloud-enabled databases such as Cassandra, Rasdaman or SciDB. Since storing an extra copy of data leads to increased cost and data management complexity, NASA is interested in determining the benefits and costs of various cloud analytics methods for real Earth Observation cases. Accordingly, NASA's Earth Science Technology Office and Earth Science Data and Information Systems project have teamed with cloud analytics practitioners to run a benchmark comparison on cloud analytics methods using the same input data and analysis algorithms. We have particularly looked at analysis algorithms that work over long time series, because these are particularly intractable for many Earth Observation datasets which typically store data with one or just a few time steps per file. This post will present side-by-side cost and performance results for several common Earth observation analysis operations.
Development of A High Throughput Method Incorporating Traditional Analytical Devices
White, C. C.; Embree, E.; Byrd, W. E; Patel, A. R.
A high-throughput (high throughput is the ability to process large numbers of samples) and companion informatics system has been developed and implemented. High throughput is defined as the ability to autonomously evaluate large numbers of samples, while an informatics system provides the software control of the physical devices, in addition to the organization and storage of the generated electronic data. This high throughput system includes both an ultra-violet and visible light spectrometer (UV-Vis) and a Fourier transform infrared spectrometer (FTIR) integrated with a multi sample positioning table. This method is designed to quantify changes in polymeric materials occurring from controlled temperature, humidity and high flux UV exposures. The integration of the software control of these analytical instruments within a single computer system is presented. Challenges in enhancing the system to include additional analytical devices are discussed. PMID:27366626
The U.S. Department of Agriculture Automated Multiple-Pass Method accurately assesses sodium intakes
Technology Transfer Automated Retrieval System (TEKTRAN)
Accurate and practical methods to monitor sodium intake of the U.S. population are critical given current sodium reduction strategies. While the gold standard for estimating sodium intake is the 24 hour urine collection, few studies have used this biomarker to evaluate the accuracy of a dietary ins...
The characterization of kerogen-analytical limitations and method design
Larter, S.R.
Methods suitable for high resolution total molecular characterization of kerogens and other polymeric SOM are necessary for a quantitative understanding of hydrocarbon maturation and migration phenomena in addition to being a requirement for a systematic understanding of kerogen based fuel utilization. Gas chromatographic methods, in conjunction with analytical pyrolysis methods, have proven successful in the rapid superficial characterization of kerogen pyrolysates. Most applications involve qualitative or semi-quantitative assessment of the relative concentration of aliphatic, aromatic, or oxygen-containing species in a kerogen pyrolysate. More recently, the use of alkylated polystyrene internal standards has allowed the direct determination of parameters related to the abundance of, for example, normal alkyl groups or single ring aromatic species in kerogens. The future of methods of this type for improved kerogen typing is critically discussed. The conceptual design and feasibility of methods suitable for the more complete characterization of complex geopolymers on the molecular level is discussed with practical examples.
Comparison of analytical methods for calculation of wind loads
NASA Technical Reports Server (NTRS)
Minderman, Donald J.; Schultz, Larry L.
The following analysis is a comparison of analytical methods for calculation of wind load pressures. The analytical methods specified in ASCE Paper No. 3269, ANSI A58.1-1982, the Standard Building Code, and the Uniform Building Code were analyzed using various hurricane speeds to determine the differences in the calculated results. The winds used for the analysis ranged from 100 mph to 125 mph and applied inland from the shoreline of a large open body of water (i.e., an enormous lake or the ocean) a distance of 1500 feet or ten times the height of the building or structure considered. For a building or structure less than or equal to 250 feet in height acted upon by a wind greater than or equal to 115 mph, it was determined that the method specified in ANSI A58.1-1982 calculates a larger wind load pressure than the other methods. For a building or structure between 250 feet and 500 feet tall acted upon by a wind rangind from 100 mph to 110 mph, there is no clear choice of which method to use; for these cases, factors that must be considered are the steady-state or peak wind velocity, the geographic location, the distance from a large open body of water, and the expected design life and its risk factor.
Compensation method for obtaining accurate, sub-micrometer displacement measurements of immersed specimens using electronic speckle interferometry.
Fazio, Massimo A; Bruno, Luigi; Reynaud, Juan F; Poggialini, Andrea; Downs, J Crawford
We proposed and validated a compensation method that accounts for the optical distortion inherent in measuring displacements on specimens immersed in aqueous solution. A spherically-shaped rubber specimen was mounted and pressurized on a custom apparatus, with the resulting surface displacements recorded using electronic speckle pattern interferometry (ESPI). Point-to-point light direction computation is achieved by a ray-tracing strategy coupled with customized B-spline-based analytical representation of the specimen shape. The compensation method reduced the mean magnitude of the displacement error induced by the optical distortion from 35% to 3%, and ESPI displacement measurement repeatability showed a mean variance of 16 nm at the 95% confidence level for immersed specimens. The ESPI interferometer and numerical data analysis procedure presented herein provide reliable, accurate, and repeatable measurement of sub-micrometer deformations obtained from pressurization tests of spherically-shaped specimens immersed in aqueous salt solution. This method can be used to quantify small deformations in biological tissue samples under load, while maintaining the hydration necessary to ensure accurate material property assessment.
LSimpute: accurate estimation of missing values in microarray data with least squares methods.
Bø, Trond Hellem; Dysvik, Bjarte; Jonassen, Inge
Microarray experiments generate data sets with information on the expression levels of thousands of genes in a set of biological samples. Unfortunately, such experiments often produce multiple missing expression values, normally due to various experimental problems. As many algorithms for gene expression analysis require a complete data matrix as input, the missing values have to be estimated in order to analyze the available data. Alternatively, genes and arrays can be removed until no missing values remain. However, for genes or arrays with only a small number of missing values, it is desirable to impute those values. For the subsequent analysis to be as informative as possible, it is essential that the estimates for the missing gene expression values are accurate. A small amount of badly estimated missing values in the data might be enough for clustering methods, such as hierachical clustering or K-means clustering, to produce misleading results. Thus, accurate methods for missing value estimation are needed. We present novel methods for estimation of missing values in microarray data sets that are based on the least squares principle, and that utilize correlations between both genes and arrays. For this set of methods, we use the common reference name LSimpute. We compare the estimation accuracy of our methods with the widely used KNNimpute on three complete data matrices from public data sets by randomly knocking out data (labeling as missing). From these tests, we conclude that our LSimpute methods produce estimates that consistently are more accurate than those obtained using KNNimpute. Additionally, we examine a more classic approach to missing value estimation based on expectation maximization (EM). We refer to our EM implementations as EMimpute, and the estimate errors using the EMimpute methods are compared with those our novel methods produce. The results indicate that on average, the estimates from our best performing LSimpute method are at least as
On an efficient and accurate method to integrate restricted three-body orbits
NASA Technical Reports Server (NTRS)
Murison, Marc A.
This work is a quantitative analysis of the advantages of the Bulirsch-Stoer (1966) method, demonstrating that this method is certainly worth considering when working with small N dynamical systems. The results, qualitatively suspected by many users, are quantitatively confirmed as follows: (1) the Bulirsch-Stoer extrapolation method is very fast and moderately accurate; (2) regularization of the equations of motion stabilizes the error behavior of the method and is, of course, essential during close approaches; and (3) when applicable, a manifold-correction algorithm reduces numerical errors to the limits of machine accuracy. In addition, for the specific case of the restricted three-body problem, even a small eccentricity for the orbit of the primaries drastically affects the accuracy of integrations, whether regularized or not; the circular restricted problem integrates much more accurately.
An Effective Method to Accurately Calculate the Phase Space Factors for β - β - Decay
Neacsu, Andrei; Horoi, Mihai
Accurate calculations of the electron phase space factors are necessary for reliable predictions of double-beta decay rates and for the analysis of the associated electron angular and energy distributions. We present an effective method to calculate these phase space factors that takes into account the distorted Coulomb field of the daughter nucleus, yet it allows one to easily calculate the phase space factors with good accuracy relative to the most exact methods available in the recent literature.
Accurate determination of specific heat at high temperatures using the flash diffusivity method
NASA Technical Reports Server (NTRS)
Vandersande, J. W.; Zoltan, A.; Wood, C.
The flash diffusivity method of Parker et al. (1961) was used to measure accurately the specific heat of test samples simultaneously with thermal diffusivity, thus obtaining the thermal conductivity of these materials directly. The accuracy of data obtained on two types of materials (n-type silicon-germanium alloys and niobium), was + or - 3 percent. It is shown that the method is applicable up to at least 1300 K.
Selectivity in analytical chemistry: two interpretations for univariate methods.
Dorkó, Zsanett; Verbić, Tatjana; Horvai, George
Selectivity is extremely important in analytical chemistry but its definition is elusive despite continued efforts by professional organizations and individual scientists. This paper shows that the existing selectivity concepts for univariate analytical methods broadly fall in two classes: selectivity concepts based on measurement error and concepts based on response surfaces (the response surface being the 3D plot of the univariate signal as a function of analyte and interferent concentration, respectively). The strengths and weaknesses of the different definitions are analyzed and contradictions between them unveiled. The error based selectivity is very general and very safe but its application to a range of samples (as opposed to a single sample) requires the knowledge of some constraint about the possible sample compositions. The selectivity concepts based on the response surface are easily applied to linear response surfaces but may lead to difficulties and counterintuitive results when applied to nonlinear response surfaces. A particular advantage of this class of selectivity is that with linear response surfaces it can provide a concentration independent measure of selectivity. In contrast, the error based selectivity concept allows only yes/no type decision about selectivity.
Quantitative analytical method to evaluate the metabolism of vitamin D.
Mena-Bravo, A; Ferreiro-Vera, C; Priego-Capote, F; Maestro, M A; Mouriño, A; Quesada-Gómez, J M; Luque de Castro, M D
A method for quantitative analysis of vitamin D (both D2 and D3) and its main metabolites - monohydroxylated vitamin D (25-hydroxyvitamin D2 and 25-hydroxyvitamin D3) and dihydroxylated metabolites (1,25-dihydroxyvitamin D2, 1,25-dihydroxyvitamin D3 and 24,25-dihydroxyvitamin D3) in human serum is here reported. The method is based on direct analysis of serum by an automated platform involving on-line coupling of a solid-phase extraction workstation to a liquid chromatograph-tandem mass spectrometer. Detection of the seven analytes was carried out by the selected reaction monitoring (SRM) mode, and quantitative analysis was supported on the use of stable isotopic labeled internal standards (SIL-ISs). The detection limits were between 0.3-75pg/mL for the target compounds, while precision (expressed as relative standard deviation) was below 13.0% for between-day variability. The method was externally validated according to the vitamin D External Quality Assurance Scheme (DEQAS) through the analysis of ten serum samples provided by this organism. The analytical features of the method support its applicability in nutritional and clinical studies targeted at elucidating the role of vitamin D metabolism.
Organic analysis and analytical methods development: FY 1995 progress report
Clauss, S.A.; Hoopes, V.; Rau, J.
This report describes the status of organic analyses and developing analytical methods to account for the organic components in Hanford waste tanks, with particular emphasis on tanks assigned to the Flammable Gas Watch List. The methods that have been developed are illustrated by their application to samples obtained from Tank 241-SY-103 (Tank 103-SY). The analytical data are to serve as an example of the status of methods development and application. Samples of the convective and nonconvective layers from Tank 103-SY were analyzed for total organic carbon (TOC). The TOC value obtained for the nonconvective layer using the hot persulfate method was 10,500 {mu}g C/g. The TOC value obtained from samples of Tank 101-SY was 11,000 {mu}g C/g. The average value for the TOC of the convective layer was 6400 {mu}g C/g. Chelator and chelator fragments in Tank 103-SY samples were identified using derivatization. gas chromatography/mass spectrometry (GC/MS). Organic components were quantified using GC/flame ionization detection. Major components in both the convective and nonconvective-layer samples include ethylenediaminetetraacetic acid (EDTA), nitrilotriacetic acid (NTA), succinic acid, nitrosoiminodiacetic acid (NIDA), citric acid, and ethylenediaminetriacetic acid (ED3A). Preliminary results also indicate the presence of C16 and C18 carboxylic acids in the nonconvective-layer sample. Oxalic acid was one of the major components in the nonconvective layer as determined by derivatization GC/flame ionization detection.
Gaussian Analytic Centroiding method of star image of star tracker
NASA Astrophysics Data System (ADS)
Wang, Haiyong; Xu, Ershuai; Li, Zhifeng; Li, Jingjin; Qin, Tianmu
The energy distribution of an actual star image coincides with the Gaussian law statistically in most cases, so the optimized processing algorithm about star image centroiding should be constructed also by following Gaussian law. For a star image spot covering a certain number of pixels, the marginal distribution of the gray accumulation on rows and columns are shown and analyzed, based on which the formulas of Gaussian Analytic Centroiding method (GAC) are deduced, and the robustness is also promoted due to the inherited filtering effect of gray accumulation. Ideal reference star images are simulated by the PSF (point spread function) with integral form. Precision and speed tests for the Gaussian Analytic formulas are conducted under three scenarios of Gaussian radius (0.5, 0.671, 0.8 pixel), The simulation results show that the precision of GAC method is better than that of the other given algorithms when the Gaussian radius is not bigger than 5 × 5 pixel window, a widely used parameter. Above all, the algorithm which consumes the least time is still the novel GAC method. GAC method helps to promote the comprehensive performance in the attitude determination of a star tracker.
Evolution of microbiological analytical methods for dairy industry needs
Sohier, Danièle; Pavan, Sonia; Riou, Armelle; Combrisson, Jérôme; Postollec, Florence
Traditionally, culture-based methods have been used to enumerate microbial populations in dairy products. Recent developments in molecular methods now enable faster and more sensitive analyses than classical microbiology procedures. These molecular tools allow a detailed characterization of cell physiological states and bacterial fitness and thus, offer new perspectives to integration of microbial physiology monitoring to improve industrial processes. This review summarizes the methods described to enumerate and characterize physiological states of technological microbiota in dairy products, and discusses the current deficiencies in relation to the industry's needs. Recent studies show that Polymerase chain reaction-based methods can successfully be applied to quantify fermenting microbes and probiotics in dairy products. Flow cytometry and omics technologies also show interesting analytical potentialities. However, they still suffer from a lack of validation and standardization for quality control analyses, as reflected by the absence of performance studies and official international standards. PMID:24570675
Zheng, Xiwei; Bi, Cong; Li, Zhao; Podariu, Maria; Hage, David S.
The rates at which biological interactions occur can provide important information concerning the mechanism and behavior of these processes in living systems. This review discusses several analytical methods that can be used to examine the kinetics of biological interactions. These techniques include common or traditional methods such as stopped-flow analysis and surface plasmon resonance spectroscopy, as well as alternative methods based on affinity chromatography and capillary electrophoresis. The general principles and theory behind these approaches are examined, and it is shown how each technique can be utilized to provide information on the kinetics of biological interactions. Examples of applications are also given for each method. In addition, a discussion is provided on the relative advantages or potential limitations of each technique regarding its use in kinetic studies. PMID:25700721
Analytical methods for toxic gases from thermal degradation of polymers
NASA Technical Reports Server (NTRS)
Hsu, M.-T. S.
Toxic gases evolved from the thermal oxidative degradation of synthetic or natural polymers in small laboratory chambers or in large scale fire tests are measured by several different analytical methods. Gas detector tubes are used for fast on-site detection of suspect toxic gases. The infrared spectroscopic method is an excellent qualitative and quantitative analysis for some toxic gases. Permanent gases such as carbon monoxide, carbon dioxide, methane and ethylene, can be quantitatively determined by gas chromatography. Highly toxic and corrosive gases such as nitrogen oxides, hydrogen cyanide, hydrogen fluoride, hydrogen chloride and sulfur dioxide should be passed into a scrubbing solution for subsequent analysis by either specific ion electrodes or spectrophotometric methods. Low-concentration toxic organic vapors can be concentrated in a cold trap and then analyzed by gas chromatography and mass spectrometry. The limitations of different methods are discussed.
Evolution of microbiological analytical methods for dairy industry needs.
Sohier, Danièle; Pavan, Sonia; Riou, Armelle; Combrisson, Jérôme; Postollec, Florence
Traditionally, culture-based methods have been used to enumerate microbial populations in dairy products. Recent developments in molecular methods now enable faster and more sensitive analyses than classical microbiology procedures. These molecular tools allow a detailed characterization of cell physiological states and bacterial fitness and thus, offer new perspectives to integration of microbial physiology monitoring to improve industrial processes. This review summarizes the methods described to enumerate and characterize physiological states of technological microbiota in dairy products, and discusses the current deficiencies in relation to the industry's needs. Recent studies show that Polymerase chain reaction-based methods can successfully be applied to quantify fermenting microbes and probiotics in dairy products. Flow cytometry and omics technologies also show interesting analytical potentialities. However, they still suffer from a lack of validation and standardization for quality control analyses, as reflected by the absence of performance studies and official international standards.
Using an analytical geometry method to improve tiltmeter data presentation
Su, W.-J.
The tiltmeter is a useful tool for geologic and geotechnical applications. To obtain full benefit from the tiltmeter, easy and accurate data presentations should be used. Unfortunately, the most commonly used method for tilt data reduction now may yield inaccurate and low-resolution results. This article describes a simple, accurate, and high-resolution approach developed at the Illinois State Geological Survey for data reduction and presentation. The orientation of tiltplates is determined first by using a trigonometric relationship, followed by a matrix transformation, to obtain the true amount of rotation change of the tiltplate at any given time. The mathematical derivations used for the determination and transformation are then coded into an integrated PC application by adapting the capabilities of commercial spreadsheet, database, and graphics software. Examples of data presentation from tiltmeter applications in studies of landfill covers, characterizations of mine subsidence, and investigations of slope stability are also discussed.
Analytical methods for gravity-assist tour design
NASA Astrophysics Data System (ADS)
Strange, Nathan J.
This dissertation develops analytical methods for the design of gravity-assist space- craft trajectories. Such trajectories are commonly employed by planetary science missions to reach Mercury or the Outer Planets. They may also be used at the Outer Planets for the design of science tours with multiple flybys of those planets' moons. Recent work has also shown applicability to new missions concepts such as NASA's Asteroid Redirect Mission. This work is based in the theory of patched conics. This document applies rigor to the concept of pumping (i.e. using gravity assists to change orbital energy) and cranking (i.e. using gravity assists to change inclination) to develop several analytic relations with pump and crank angles. In addition, transformations are developed between pump angle, crank angle, and v-infinity magnitude to classical orbit elements. These transformations are then used to describe the limits on orbits achievable via gravity assists of a planet or moon. This is then extended to develop analytic relations for all possible ballistic gravity-assist transfers and one type of propulsive transfer, v-infinity leveraging transfers. The results in this dissertation complement existing numerical methods for the design of these trajectories by providing methods that can guide numerical searches to find promising trajectories and even, in some cases, replace numerical searches altogether. In addition, results from new techniques presented in this dissertation such as Tisserand Graphs, the V-Infinity Globe, and Non-Tangent V-Infinty Leveraging provide additional insight into the structure of the gravity-assist trajectory design problem.
Analytical methods for human biomonitoring of pesticides. A review.
Yusa, Vicent; Millet, Maurice; Coscolla, Clara; Roca, Marta
Biomonitoring of both currently-used and banned-persistent pesticides is a very useful tool for assessing human exposure to these chemicals. In this review, we present current approaches and recent advances in the analytical methods for determining the biomarkers of exposure to pesticides in the most commonly used specimens, such as blood, urine, and breast milk, and in emerging non-invasive matrices such as hair and meconium. We critically discuss the main applications for sample treatment, and the instrumental techniques currently used to determine the most relevant pesticide biomarkers. We finally look at the future trends in this field.
Analytical method for thermal stress analysis of plasma facing materials
NASA Astrophysics Data System (ADS)
You, J. H.; Bolt, H.
The thermo-mechanical response of plasma facing materials (PFMs) to heat loads from the fusion plasma is one of the crucial issues in fusion technology. In this work, a fully analytical description of the thermal stress distribution in armour tiles of plasma facing components is presented which is expected to occur under typical high heat flux (HHF) loads. The method of stress superposition is applied considering the temperature gradient and thermal expansion mismatch. Several combinations of PFMs and heat sink metals are analysed and compared. In the framework of the present theoretical model, plastic flow and the effect of residual stress can be quantitatively assessed. Possible failure features are discussed.
An effective method for accurate prediction of the first hyperpolarizability of alkalides.
Wang, Jia-Nan; Xu, Hong-Liang; Sun, Shi-Ling; Gao, Ting; Li, Hong-Zhi; Li, Hui; Su, Zhong-Min
The proper theoretical calculation method for nonlinear optical (NLO) properties is a key factor to design the excellent NLO materials. Yet it is a difficult task to obatin the accurate NLO property of large scale molecule. In present work, an effective intelligent computing method, as called extreme learning machine-neural network (ELM-NN), is proposed to predict accurately the first hyperpolarizability (β(0)) of alkalides from low-accuracy first hyperpolarizability. Compared with neural network (NN) and genetic algorithm neural network (GANN), the root-mean-square deviations of the predicted values obtained by ELM-NN, GANN, and NN with their MP2 counterpart are 0.02, 0.08, and 0.17 a.u., respectively. It suggests that the predicted values obtained by ELM-NN are more accurate than those calculated by NN and GANN methods. Another excellent point of ELM-NN is the ability to obtain the high accuracy level calculated values with less computing cost. Experimental results show that the computing time of MP2 is 2.4-4 times of the computing time of ELM-NN. Thus, the proposed method is a potentially powerful tool in computational chemistry, and it may predict β(0) of the large scale molecules, which is difficult to obtain by high-accuracy theoretical method due to dramatic increasing computational cost.
Analytical Methods Used in the Quality Control of Honey.
Pita-Calvo, Consuelo; Guerra-Rodríguez, María Esther; Vázquez, Manuel
Honey is a natural sweet substance produced by bees (Apis mellifera). In this work, the main parameters used in routine quality control of honey and the most commonly used analytical methods for their determination are reviewed. Honey can be adulterated with cheaper sweeteners or, indirectly, by feeding the bees with sugars. Therefore, methods for detecting and quantifying adulteration are necessary. Chromatographic techniques are widely used in honey analysis. More recently, techniques such as Raman, near-infrared, mid-infrared, and nuclear magnetic resonance spectroscopy in combination with chemometric data processing have been proposed. However, spectroscopy does not allow the determination of enzyme activities, one criteria of great importance for the honey trade. Methylglyoxal is an interesting compound for its antibacterial properties. Methods for its determination are also reviewed.
Accurate mass replacement method for the sediment concentration measurement with a constant volume container
NASA Astrophysics Data System (ADS)
Ban, Yunyun; Chen, Tianqin; Yan, Jun; Lei, Tingwu
The measurement of sediment concentration in water is of great importance in soil erosion research and soil and water loss monitoring systems. The traditional weighing method has long been the foundation of all the other measuring methods and instrument calibration. The development of a new method to replace the traditional oven-drying method is of interest in research and practice for the quick and efficient measurement of sediment concentration, especially field measurements. A new method is advanced in this study for accurately measuring the sediment concentration based on the accurate measurement of the mass of the sediment-water mixture in the confined constant volume container (CVC). A sediment-laden water sample is put into the CVC to determine its mass before the CVC is filled with water and weighed again for the total mass of the water and sediments in the container. The known volume of the CVC, the mass of sediment-laden water, and sediment particle density are used to calculate the mass of water, which is replaced by sediments, therefore sediment concentration of the sample is calculated. The influence of water temperature was corrected by measuring water density to determine the temperature of water before measurements were conducted. The CVC was used to eliminate the surface tension effect so as to obtain the accurate volume of water and sediment mixture. Experimental results showed that the method was capable of measuring the sediment concentration from 0.5 up to 1200 kg m‑3. A good liner relationship existed between the designed and measured sediment concentrations with all the coefficients of determination greater than 0.999 and the averaged relative error less than 0.2%. All of these seem to indicate that the new method is capable of measuring a full range of sediment concentration above 0.5 kg m‑3 to replace the traditional oven-drying method as a standard method for evaluating and calibrating other methods.
An analytical sensitivity method for use in integrated aeroservoelastic aircraft design
NASA Technical Reports Server (NTRS)
Gilbert, Michael G.
Interdisciplinary analysis capabilities have been developed for aeroservoelastic aircraft and large flexible spacecraft, but the requisite integrated design methods are only beginning to be developed. One integrated design method which has received attention is based on hierarchal problem decompositions, optimization, and design sensitivity analyses. This paper highlights a design sensitivity analysis method for Linear Quadratic Gaussian (LQG) optimal control laws, enabling the use of LQG techniques in the hierarchal design methodology. The LQG sensitivity analysis method calculates the change in the optimal control law and resulting controlled system responses due to changes in fixed design integration parameters using analytical sensitivity equations. Numerical results of a LQG design sensitivity analysis for a realistic aeroservoelastic aircraft example are presented. In this example, the sensitivity of the optimal control law and aircraft response for various parameters such as wing bending natural frequency is determined. The sensitivity results computed from the analytical expressions are used to estimate changes in response resulting from changes in the parameters. Comparisons of the estimates with exact calculated responses show they are reasonably accurate for + or - 15 percent changes in the parameters. Evaluation of the analytical expressions is computationally faster than equivalent finite difference calculations.
An analytical sensitivity method for use in integrated aeroservoelastic aircraft design
NASA Technical Reports Server (NTRS)
Gilbert, Michael G.
Interdisciplinary analysis capabilities have been developed for aeroservoelastic aircraft and large flexible spacecraft, but the requisite integrated design methods are only beginning to be developed. One integrated design method which has received attention is based on hierarchal problem decompositions, optimization, and design sensitivity analyses. This paper highlights a design sensitivity analysis method for Linear Quadratic Gaussian (LQG) optimal control laws, enabling the use of LQG techniques in the hierarchal design methodology. The LQG sensitivity analysis method calculates the change in the optimal control law and resulting controlled system responses due to changes in fixed design integration parameters using analytical sensitivity equations. Numerical results of an LQG design sensitivity analysis for a realistic aeroservoelastic aircraft example are presented. In this example, the sensitivity of the optimal control law and aircraft response for various parameters such as wing bending natural frequency is determined. The sensitivity results computed from the analytical expressions are used to estimate changes in response resulting from changes in the parameters. Comparisons of the estimates with exact calculated responses show they are reasonably accurate for + or - 15 percent changes in the parameters. Evaluation of the analytical expressions is computationally faster than equivalent finite difference calculations.
The evolution of analytical chemistry methods in foodomics.
Gallo, Monica; Ferranti, Pasquale
The methodologies of food analysis have greatly evolved over the past 100 years, from basic assays based on solution chemistry to those relying on the modern instrumental platforms. Today, the development and optimization of integrated analytical approaches based on different techniques to study at molecular level the chemical composition of a food may allow to define a 'food fingerprint', valuable to assess nutritional value, safety and quality, authenticity and security of foods. This comprehensive strategy, defined foodomics, includes emerging work areas such as food chemistry, phytochemistry, advanced analytical techniques, biosensors and bioinformatics. Integrated approaches can help to elucidate some critical issues in food analysis, but also to face the new challenges of a globalized world: security, sustainability and food productions in response to environmental world-wide changes. They include the development of powerful analytical methods to ensure the origin and quality of food, as well as the discovery of biomarkers to identify potential food safety problems. In the area of nutrition, the future challenge is to identify, through specific biomarkers, individual peculiarities that allow early diagnosis and then a personalized prognosis and diet for patients with food-related disorders. Far from the aim of an exhaustive review of the abundant literature dedicated to the applications of omic sciences in food analysis, we will explore how classical approaches, such as those used in chemistry and biochemistry, have evolved to intersect with the new omics technologies to produce a progress in our understanding of the complexity of foods. Perhaps most importantly, a key objective of the review will be to explore the development of simple and robust methods for a fully applied use of omics data in food science.
Methods for Efficiently and Accurately Computing Quantum Mechanical Free Energies for Enzyme Catalysis.
Kearns, F L; Hudson, P S; Boresch, S; Woodcock, H L
Enzyme activity is inherently linked to free energies of transition states, ligand binding, protonation/deprotonation, etc.; these free energies, and thus enzyme function, can be affected by residue mutations, allosterically induced conformational changes, and much more. Therefore, being able to predict free energies associated with enzymatic processes is critical to understanding and predicting their function. Free energy simulation (FES) has historically been a computational challenge as it requires both the accurate description of inter- and intramolecular interactions and adequate sampling of all relevant conformational degrees of freedom. The hybrid quantum mechanical molecular mechanical (QM/MM) framework is the current tool of choice when accurate computations of macromolecular systems are essential. Unfortunately, robust and efficient approaches that employ the high levels of computational theory needed to accurately describe many reactive processes (ie, ab initio, DFT), while also including explicit solvation effects and accounting for extensive conformational sampling are essentially nonexistent. In this chapter, we will give a brief overview of two recently developed methods that mitigate several major challenges associated with QM/MM FES: the QM non-Boltzmann Bennett's acceptance ratio method and the QM nonequilibrium work method. We will also describe usage of these methods to calculate free energies associated with (1) relative properties and (2) along reaction paths, using simple test cases with relevance to enzymes examples.
Using analytic network process for evaluating mobile text entry methods.
Ocampo, Lanndon A; Seva, Rosemary R
This paper highlights a preference evaluation methodology for text entry methods in a touch keyboard smartphone using analytic network process (ANP). Evaluation of text entry methods in literature mainly considers speed and accuracy. This study presents an alternative means for selecting text entry method that considers user preference. A case study was carried out with a group of experts who were asked to develop a selection decision model of five text entry methods. The decision problem is flexible enough to reflect interdependencies of decision elements that are necessary in describing real-life conditions. Results showed that QWERTY method is more preferred than other text entry methods while arrangement of keys is the most preferred criterion in characterizing a sound method. Sensitivity analysis using simulation of normally distributed random numbers under fairly large perturbation reported the foregoing results reliable enough to reflect robust judgment. The main contribution of this paper is the introduction of a multi-criteria decision approach in the preference evaluation of text entry methods.
Toward accurate molecular identification of species in complex environmental samples: testing the performance of sequence filtering and clustering methods
Flynn, Jullien M; Brown, Emily A; Chain, Frédéric J J; MacIsaac, Hugh J; Cristescu, Melania E
Metabarcoding has the potential to become a rapid, sensitive, and effective approach for identifying species in complex environmental samples. Accurate molecular identification of species depends on the ability to generate operational taxonomic units (OTUs) that correspond to biological species. Due to the sometimes enormous estimates of biodiversity using this method, there is a great need to test the efficacy of data analysis methods used to derive OTUs. Here, we evaluate the performance of various methods for clustering length variable 18S amplicons from complex samples into OTUs using a mock community and a natural community of zooplankton species. We compare analytic procedures consisting of a combination of (1) stringent and relaxed data filtering, (2) singleton sequences included and removed, (3) three commonly used clustering algorithms (mothur, UCLUST, and UPARSE), and (4) three methods of treating alignment gaps when calculating sequence divergence. Depending on the combination of methods used, the number of OTUs varied by nearly two orders of magnitude for the mock community (60–5068 OTUs) and three orders of magnitude for the natural community (22–22191 OTUs). The use of relaxed filtering and the inclusion of singletons greatly inflated OTU numbers without increasing the ability to recover species. Our results also suggest that the method used to treat gaps when calculating sequence divergence can have a great impact on the number of OTUs. Our findings are particularly relevant to studies that cover taxonomically diverse species and employ markers such as rRNA genes in which length variation is extensive. PMID:26078860
A safe and accurate method to perform esthetic mandibular contouring surgery for Far Eastern Asians.
Hsieh, A M-C; Huon, L-K; Jiang, H-R; Liu, S Y-C
A tapered mandibular contour is popular with Far Eastern Asians. This study describes a safe and accurate method of using preoperative virtual surgical planning (VSP) and an intraoperative ostectomy guide to maximize the esthetic outcomes of mandibular symmetry and tapering while mitigating injury to the inferior alveolar nerve (IAN). Twelve subjects with chief complaints of a wide and square lower face underwent this protocol from January to June 2015. VSP was used to confirm symmetry and preserve the IAN while maximizing the surgeon's ability to taper the lower face via mandibular inferior border ostectomy. The accuracy of this method was confirmed by superimposition of the perioperative computed tomography scans in all subjects. No subjects complained of prolonged paresthesia after 3 months. A safe and accurate protocol for achieving an esthetic lower face in indicated Far Eastern individuals is described.
A fast and accurate method to predict 2D and 3D aerodynamic boundary layer flows
NASA Astrophysics Data System (ADS)
Bijleveld, H. A.; Veldman, A. E. P.
A quasi-simultaneous interaction method is applied to predict 2D and 3D aerodynamic flows. This method is suitable for offshore wind turbine design software as it is a very accurate and computationally reasonably cheap method. This study shows the results for a NACA 0012 airfoil. The two applied solvers converge to the experimental values when the grid is refined. We also show that in separation the eigenvalues remain positive thus avoiding the Goldstein singularity at separation. In 3D we show a flow over a dent in which separation occurs. A rotating flat plat is used to show the applicability of the method for rotating flows. The shown capabilities of the method indicate that the quasi-simultaneous interaction method is suitable for design methods for offshore wind turbine blades.
Fast and accurate numerical method for predicting gas chromatography retention time.
Claumann, Carlos Alberto; Wüst Zibetti, André; Bolzan, Ariovaldo; Machado, Ricardo A F; Pinto, Leonel Teixeira
Predictive modeling for gas chromatography compound retention depends on the retention factor (ki) and on the flow of the mobile phase. Thus, different approaches for determining an analyte ki in column chromatography have been developed. The main one is based on the thermodynamic properties of the component and on the characteristics of the stationary phase. These models can be used to estimate the parameters and to optimize the programming of temperatures, in gas chromatography, for the separation of compounds. Different authors have proposed the use of numerical methods for solving these models, but these methods demand greater computational time. Hence, a new method for solving the predictive modeling of analyte retention time is presented. This algorithm is an alternative to traditional methods because it transforms its attainments into root determination problems within defined intervals. The proposed approach allows for tr calculation, with accuracy determined by the user of the methods, and significant reductions in computational time; it can also be used to evaluate the performance of other prediction methods.
Friedmann-Lemaitre cosmologies via roulettes and other analytic methods
NASA Astrophysics Data System (ADS)
Chen, Shouxin; Gibbons, Gary W.; Yang, Yisong
In this work a series of methods are developed for understanding the Friedmann equation when it is beyond the reach of the Chebyshev theorem. First it will be demonstrated that every solution of the Friedmann equation admits a representation as a roulette such that information on the latter may be used to obtain that for the former. Next the Friedmann equation is integrated for a quadratic equation of state and for the Randall-Sundrum II universe, leading to a harvest of a rich collection of new interesting phenomena. Finally an analytic method is used to isolate the asymptotic behavior of the solutions of the Friedmann equation, when the equation of state is of an extended form which renders the integration impossible, and to establish a universal exponential growth law.
A novel unified coding analytical method for Internet of Things
NASA Astrophysics Data System (ADS)
Sun, Hong; Zhang, JianHong
This paper presents a novel unified coding analytical method for Internet of Things, which abstracts out the `displacement goods' and `physical objects', and expounds the relationship thereof. It details the item coding principles, establishes a one-to-one relationship between three-dimensional spatial coordinates of points and global manufacturers, can infinitely expand, solves the problem of unified coding in production phase and circulation phase with a novel unified coding method, and further explains how to update the item information corresponding to the coding in stages of sale and use, so as to meet the requirement that the Internet of Things can carry out real-time monitoring and intelligentized management to each item.
Validation of analytic methods for biomarkers used in drug development.
Chau, Cindy H; Rixe, Olivier; McLeod, Howard; Figg, William D
The role of biomarkers in drug discovery and development has gained precedence over the years. As biomarkers become integrated into drug development and clinical trials, quality assurance and, in particular, assay validation become essential with the need to establish standardized guidelines for analytic methods used in biomarker measurements. New biomarkers can revolutionize both the development and use of therapeutics but are contingent on the establishment of a concrete validation process that addresses technology integration and method validation as well as regulatory pathways for efficient biomarker development. This perspective focuses on the general principles of the biomarker validation process with an emphasis on assay validation and the collaborative efforts undertaken by various sectors to promote the standardization of this procedure for efficient biomarker development.
A finite analytic method for solving the 2-D time-dependent advection diffusion equation with time-invariant coefficients
NASA Astrophysics Data System (ADS)
Lowry, Thomas; Li, Shu-Guang
Difficulty in solving the transient advection-diffusion equation (ADE) stems from the relationship between the advection derivatives and the time derivative. For a solution method to be viable, it must account for this relationship by being accurate in both space and time. This research presents a unique method for solving the time-dependent ADE that does not discretize the derivative terms but rather solves the equation analytically in the space-time domain. The method is computationally efficient and numerically accurate and addresses the common limitations of numerical dispersion and spurious oscillations that can be prevalent in other solution methods. The method is based on the improved finite analytic (IFA) solution method [Lowry TS, Li S-G. A characteristic based finite analytic method for solving the two-dimensional steady-state advection-diffusion equation. Water Resour Res 38 (7), 10.1029/2001WR000518] in space coupled with a Laplace transformation in time. In this way, the method has no Courant condition and maintains accuracy in space and time, performing well even at high Peclet numbers. The method is compared to a hybrid method of characteristics, a random walk particle tracking method, and an Eulerian-Lagrangian Localized Adjoint Method using various degrees of flow-field heterogeneity across multiple Peclet numbers. Results show the IFALT method to be computationally more efficient while producing similar or better accuracy than the other methods.
The objective of this presentation is to discuss pathogens of concern in biosolids, the analytical techniques used to evaluate microorganisms in biosolids, and to discuss standardization and validation of analytical protocols for microbes within such a complex matrix. Implicatio...
A high-order accurate embedded boundary method for first order hyperbolic equations
NASA Astrophysics Data System (ADS)
Mattsson, Ken; Almquist, Martin
A stable and high-order accurate embedded boundary method for first order hyperbolic equations is derived. Where the grid-boundaries and the physical boundaries do not coincide, high order interpolation is used. The boundary stencils are based on a summation-by-parts framework, and the boundary conditions are imposed by the SAT penalty method, which guarantees linear stability for one-dimensional problems. Second-, fourth-, and sixth-order finite difference schemes are considered. The resulting schemes are fully explicit. Accuracy and numerical stability of the proposed schemes are demonstrated for both linear and nonlinear hyperbolic systems in one and two spatial dimensions.
The Block recursion library: accurate calculation of resolvent submatrices using the block recursion method
NASA Astrophysics Data System (ADS)
Godin, T. J.; Haydock, Roger
The Block Recursion Library, a collection of FORTRAN subroutines, calculates submatrices of the resolvent of a linear operator. The resolvent, in matrix theory, is a powerful tool for extracting information about solutions of linear systems. The routines use the block recursion method and achieve high accuracy for very large systems of coupled equations. This technique is a generalization of the scalar recursion method, an accurate technique for finding the local density of states. A sample program uses these routines to find the quantum mechanical transmittance of a randomly disordered two-dimensional cluster of atoms.
Investigation of low frequency electrolytic solution behavior with an accurate electrical impedance method
NASA Astrophysics Data System (ADS)
Ho, Kung-Chu; Su, Vin-Cent; Huang, Da-Yo; Lee, Ming-Lun; Chou, Nai-Kuan; Kuan, Chieh-Hsiung
This paper reports the investigation of strong electrolytic solutions operated in low frequency regime through an accurate electrical impedance method realized with a specific microfluidic device and high resolution instruments. Experimental results show the better repeatability and accuracy of the proposed impedance method. Moreover, all electrolytic solutions appear the so-called relaxation frequency at each peak value of dielectric loss due to relaxing total polarization inside the device. The relaxation frequency of concentrated electrolytes becomes higher owing to the stronger total polarization behavior coming from the higher conductivity as well as the lower resistance in the electrolytic solutions.
[A accurate identification method for Chinese materia medica--systematic identification of Chinese materia medica].
Wang, Xue-Yong; Liao, Cai-Li; Liu, Si-Qi; Liu, Chun-Sheng; Shao, Ai-Juan; Huang, Lu-Qi
This paper put forward a more accurate identification method for identification of Chinese materia medica (CMM), the systematic identification of Chinese materia medica (SICMM) , which might solve difficulties in CMM identification used the ordinary traditional ways. Concepts, mechanisms and methods of SICMM were systematically introduced and possibility was proved by experiments. The establishment of SICMM will solve problems in identification of Chinese materia medica not only in phenotypic characters like the mnorphous, microstructure, chemical constituents, but also further discovery evolution and classification of species, subspecies and population in medical plants. The establishment of SICMM will improve the development of identification of CMM and create a more extensive study space.
A method to accurately estimate the muscular torques of human wearing exoskeletons by torque sensors.
Hwang, Beomsoo; Jeon, Doyoung
In exoskeletal robots, the quantification of the user's muscular effort is important to recognize the user's motion intentions and evaluate motor abilities. In this paper, we attempt to estimate users' muscular efforts accurately using joint torque sensor which contains the measurements of dynamic effect of human body such as the inertial, Coriolis, and gravitational torques as well as torque by active muscular effort. It is important to extract the dynamic effects of the user's limb accurately from the measured torque. The user's limb dynamics are formulated and a convenient method of identifying user-specific parameters is suggested for estimating the user's muscular torque in robotic exoskeletons. Experiments were carried out on a wheelchair-integrated lower limb exoskeleton, EXOwheel, which was equipped with torque sensors in the hip and knee joints. The proposed methods were evaluated by 10 healthy participants during body weight-supported gait training. The experimental results show that the torque sensors are to estimate the muscular torque accurately in cases of relaxed and activated muscle conditions.
Multifrequency excitation method for rapid and accurate dynamic test of micromachined gyroscope chips.
Deng, Yan; Zhou, Bin; Xing, Chao; Zhang, Rong
A novel multifrequency excitation (MFE) method is proposed to realize rapid and accurate dynamic testing of micromachined gyroscope chips. Compared with the traditional sweep-frequency excitation (SFE) method, the computational time for testing one chip under four modes at a 1-Hz frequency resolution and 600-Hz bandwidth was dramatically reduced from 10 min to 6 s. A multifrequency signal with an equal amplitude and initial linear-phase-difference distribution was generated to ensure test repeatability and accuracy. The current test system based on LabVIEW using the SFE method was modified to use the MFE method without any hardware changes. The experimental results verified that the MFE method can be an ideal solution for large-scale dynamic testing of gyroscope chips and gyroscopes.
An accurate, robust, and easy-to-implement method for integration over arbitrary polyhedra: Application to embedded interface methods
NASA Astrophysics Data System (ADS)
Sudhakar, Y.; Moitinho de Almeida, J. P.; Wall, Wolfgang A.
We present an accurate method for the numerical integration of polynomials over arbitrary polyhedra. Using the divergence theorem, the method transforms the domain integral into integrals evaluated over the facets of the polyhedra. The necessity of performing symbolic computation during such transformation is eliminated by using one dimensional Gauss quadrature rule. The facet integrals are computed with the help of quadratures available for triangles and quadrilaterals. Numerical examples, in which the proposed method is used to integrate the weak form of the Navier-Stokes equations in an embedded interface method (EIM), are presented. The results show that our method is as accurate and generalized as the most widely used volume decomposition based methods. Moreover, since the method involves neither volume decomposition nor symbolic computations, it is much easier for computer implementation. Also, the present method is more efficient than other available integration methods based on the divergence theorem. Efficiency of the method is also compared with the volume decomposition based methods and moment fitting methods. To our knowledge, this is the first article that compares both accuracy and computational efficiency of methods relying on volume decomposition and those based on the divergence theorem.
A Novel Method for Accurate Operon Predictions in All SequencedProkaryotes
Price, Morgan N.; Huang, Katherine H.; Alm, Eric J.; Arkin, Adam P.
We combine comparative genomic measures and the distance separating adjacent genes to predict operons in 124 completely sequenced prokaryotic genomes. Our method automatically tailors itself to each genome using sequence information alone, and thus can be applied to any prokaryote. For Escherichia coli K12 and Bacillus subtilis, our method is 85 and 83% accurate, respectively, which is similar to the accuracy of methods that use the same features but are trained on experimentally characterized transcripts. In Halobacterium NRC-1 and in Helicobacterpylori, our method correctly infers that genes in operons are separated by shorter distances than they are in E.coli, and its predictions using distance alone are more accurate than distance-only predictions trained on a database of E.coli transcripts. We use microarray data from sixphylogenetically diverse prokaryotes to show that combining intergenic distance with comparative genomic measures further improves accuracy and that our method is broadly effective. Finally, we survey operon structure across 124 genomes, and find several surprises: H.pylori has many operons, contrary to previous reports; Bacillus anthracis has an unusual number of pseudogenes within conserved operons; and Synechocystis PCC6803 has many operons even though it has unusually wide spacings between conserved adjacent genes.
Accurate Time/Frequency Transfer Method Using Bi-Directional WDM Transmission
NASA Technical Reports Server (NTRS)
Imaoka, Atsushi; Kihara, Masami
An accurate time transfer method is proposed using b-directional wavelength division multiplexing (WDM) signal transmission along a single optical fiber. This method will be used in digital telecommunication networks and yield a time synchronization accuracy of better than 1 ns for long transmission lines over several tens of kilometers. The method can accurately measure the difference in delay between two wavelength signals caused by the chromatic dispersion of the fiber in conventional simple bi-directional dual-wavelength frequency transfer methods. We describe the characteristics of this difference in delay and then show that the accuracy of the delay measurements can be obtained below 0.1 ns by transmitting 156 Mb/s times reference signals of 1.31 micrometer and 1.55 micrometers along a 50 km fiber using the proposed method. The sub-nanosecond delay measurement using the simple bi-directional dual-wavelength transmission along a 100 km fiber with a wavelength spacing of 1 nm in the 1.55 micrometer range is also shown.
Application of analytical methods in authentication and adulteration of honey.
Siddiqui, Amna Jabbar; Musharraf, Syed Ghulam; Choudhary, M Iqbal; Rahman, Atta-Ur-
Honey is synthesized from flower nectar and it is famous for its tremendous therapeutic potential since ancient times. Many factors influence the basic properties of honey including the nectar-providing plant species, bee species, geographic area, and harvesting conditions. Quality and composition of honey is also affected by many other factors, such as overfeeding of bees with sucrose, harvesting prior to maturity, and adulteration with sugar syrups. Due to the complex nature of honey, it is often challenging to authenticate the purity and quality by using common methods such as physicochemical parameters and more specialized procedures need to be developed. This article reviews the literature (between 2000 and 2016) on the use of analytical techniques, mainly NMR spectroscopy, for authentication of honey, its botanical and geographical origin, and adulteration by sugar syrups. NMR is a powerful technique and can be used as a fingerprinting technique to compare various samples.
Analytical Failure Prediction Method Developed for Woven and Braided Composites
NASA Technical Reports Server (NTRS)
Min, James B.
Historically, advances in aerospace engine performance and durability have been linked to improvements in materials. Recent developments in ceramic matrix composites (CMCs) have led to increased interest in CMCs to achieve revolutionary gains in engine performance. The use of CMCs promises many advantages for advanced turbomachinery engine development and may be especially beneficial for aerospace engines. The most beneficial aspects of CMC material may be its ability to maintain its strength to over 2500 F, its internal material damping, and its relatively low density. Ceramic matrix composites reinforced with two-dimensional woven and braided fabric preforms are being considered for NASA s next-generation reusable rocket turbomachinery applications (for example, see the preceding figure). However, the architecture of a textile composite is complex, and therefore, the parameters controlling its strength properties are numerous. This necessitates the development of engineering approaches that combine analytical methods with limited testing to provide effective, validated design analyses for the textile composite structures development.
Exploring Lab Tests Over Utilization Patterns Using Health Analytics Methods.
Khalifa, Mohamed; Zabani, Ibrahim; Khalid, Parwaiz
Healthcare resources are over utilized contributing more to the growing costs of care. Although laboratory testing is essential, yet it can be expensive and excessive. King Faisal Specialist Hospital and Research Center, Saudi Arabia studied lab tests utilization patterns using health analytics methods. The objective was to identify patterns of utilizing lab tests and to develop recommendations to control over utilization. Three over utilization patterns were identified; using expensive tests for many patients as routine, unnecessarily repeating lab test and a combined one. Two recommendations were suggested; a user approach, modifying user behavior through orientation about the impact of over utilization on the cost effectiveness of healthcare, and a system approach, implementing system alerts to help physicians check the results and identify the date of the last lab tests done with information about appropriate frequency of ordering such lab test and medically significant intervals at which such test should be repeated.
Analytical methods for determination of anticoagulant rodenticides in biological samples.
Imran, Muhammad; Shafi, Humera; Wattoo, Sardar Ali; Chaudhary, Muhammad Taimoor; Usman, Hafiz Faisal
Anticoagulant rodenticides belong to a heterogeneous group of compounds which are used to kill rodents. They bind to enzyme complexes responsible for recycling of vitamin K, thus producing impairment in coagulation process. Rodenticides are among the most common house hold toxicants and exhibit wide variety of toxicities in non-target species especially in human, dogs and cats. This article reviews published analytical methods reported in literature for qualitative and quantitative determination of anticoagulant rodenticides in biological specimens. These techniques include high performance liquid chromatography coupled with ultraviolet and florescence detectors, liquid chromatography electrospray ionization tandem mass spectrometry, liquid chromatography with high resolution tandem mass spectrometry, ultra performance liquid chromatography mass spectrometry, gas chromatography mass spectrometry, ion chromatography with fluorescence detection, ion chromatography electrospray ionization ion trap mass spectrometry and ion chromatography electrospray ionization tandem mass spectrometry.
Analytical methods for volatile compounds in wheat bread.
Pico, Joana; Gómez, Manuel; Bernal, José; Bernal, José Luis
Bread aroma is one of the main requirements for its acceptance by consumers, since it is one of the first attributes perceived. Sensory analysis, crucial to be correlated with human perception, presents limitations and needs to be complemented with instrumental analysis. Gas chromatography coupled to mass spectrometry is usually selected as the technique to determine bread volatile compounds, although proton-transfer reaction mass spectrometry begins also to be used to monitor aroma processes. Solvent extraction, supercritical fluid extraction and headspace analysis are the main options for the sample treatment. The present review focuses on the different sample treatments and instrumental alternatives reported in the literature to analyse volatile compounds in wheat bread, providing advantages and limitations. Usual parameters employed in these analytical methods are also described.
Applying analytical and experimental methods to characterize engineered components
NASA Astrophysics Data System (ADS)
Munn, Brian S.
A variety of analytical and experimental methods were employed to characterize two very different types of engineered components. The engineered components of interest were monolithic silicon carbide tiles and M12 x 1.75 Class 9.8 steel fasteners. A new application applying the hole drilling technique was developed on monolithic silicon-carbide tiles of varying thicknesses. This work was driven by a need to first develop a reliable method to measure residual stresses and, then, to validate the methodology through characterizing residual stresses on the tiles of interest. The residual stresses measured in all tiles were tensile in nature. The highest residual stresses were measured at the surface, and decreased exponentially. There was also a trend for the residual tensile stresses to decrease with increasing specimen thickness. Thermal-mechanical interactions were successfully analyzed via a one-way, coupled FEA modeled approach. The key input for a successful FEA analysis was an appropriate heat transfer rate. By varying the heat transfer rate in the FEA model and, then, comparing stress output to experimental residual stress values, provided a favorable numerical solution in determining a heat transfer rate. Fatigue behavior of a M12 x 1.75 Class 9.8 steel test fastener was extensively studied through the use of a variety of experimental and analytical techniques. Of particular interest, was the underlying interaction between notch plasticity and overall fatigue behavior. A very large data set of fastener fatigue behavior was generated with respect to mean stress. A series of endurance limit curves were established for different mean stress values ranging from minimal to the yield strength of the steel fastener (0 ≤ sigmam ≤ sigmay). This wide range in mean stress values created a change in notch tip plasticity which caused a local diminishing of the mean stress increasing expected fatigue life. The change in notch plasticity was identified by residual stress
Novel analytical methods for the characterization of oral wafers.
Garsuch, Verena; Breitkreutz, Jörg
This study aims at compensating the lack of adequate methods for the characterization of the novel dosage forms buccal wafers by applying recent advanced analytical techniques. Fast-dissolving oral wafers need special methods for assessing their properties in drug development and quality control. For morphologic investigations, scanning electron microscopy (SEM) and near-infrared chemical imaging (NIR-CI) were used. Differences in the distribution of the active pharmaceutical ingredient within wafers can be depicted by NIR-CI. Film thickness was determined by micrometer screw and coating thickness gauge revealing no significant differences between the obtained values. To distinguish between the mechanical properties of different polymers, tensile test was performed. Suitable methods to predict disintegration behaviour are thermomechanical analysis and contact angle measurement. The determination of drug release was carried out by three different methods. Fibre-optic sensor systems allow an online measurement of the drug release profiles and the thorough analysis even within the first seconds of disintegration and drug dissolution.
Updates to Selected Analytical Methods for Environmental Remediation and Recovery (SAM)
View information on the latest updates to methods included in EPA's Selected Analytical Methods for Environmental Remediation and Recovery (SAM), including the newest recommended methods and publications.
Accurate method for including solid-fluid boundary interactions in mesoscopic model fluids
Berkenbos, A. Lowe, C.P.
Particle models are attractive methods for simulating the dynamics of complex mesoscopic fluids. Many practical applications of this methodology involve flow through a solid geometry. As the system is modeled using particles whose positions move continuously in space, one might expect that implementing the correct stick boundary condition exactly at the solid-fluid interface is straightforward. After all, unlike discrete methods there is no mapping onto a grid to contend with. In this article we describe a method that, for axisymmetric flows, imposes both the no-slip condition and continuity of stress at the interface. We show that the new method then accurately reproduces correct hydrodynamic behavior right up to the location of the interface. As such, computed flow profiles are correct even using a relatively small number of particles to model the fluid.
Accurate force fields and methods for modelling organic molecular crystals at finite temperatures.
Nyman, Jonas; Pundyke, Orla Sheehan; Day, Graeme M
We present an assessment of the performance of several force fields for modelling intermolecular interactions in organic molecular crystals using the X23 benchmark set. The performance of the force fields is compared to several popular dispersion corrected density functional methods. In addition, we present our implementation of lattice vibrational free energy calculations in the quasi-harmonic approximation, using several methods to account for phonon dispersion. This allows us to also benchmark the force fields' reproduction of finite temperature crystal structures. The results demonstrate that anisotropic atom-atom multipole-based force fields can be as accurate as several popular DFT-D methods, but have errors 2-3 times larger than the current best DFT-D methods. The largest error in the examined force fields is a systematic underestimation of the (absolute) lattice energy.
Accurate Wind Characterization in Complex Terrain Using the Immersed Boundary Method
Lundquist, K A; Chow, F K; Lundquist, J K; Kosovic, B
This paper describes an immersed boundary method (IBM) that facilitates the explicit resolution of complex terrain within the Weather Research and Forecasting (WRF) model. Two different interpolation methods, trilinear and inverse distance weighting, are used at the core of the IBM algorithm. Functional aspects of the algorithm's implementation and the accuracy of results are considered. Simulations of flow over a three-dimensional hill with shallow terrain slopes are preformed with both WRF's native terrain-following coordinate and with both IB methods. Comparisons of flow fields from the three simulations show excellent agreement, indicating that both IB methods produce accurate results. However, when ease of implementation is considered, inverse distance weighting is superior. Furthermore, inverse distance weighting is shown to be more adept at handling highly complex urban terrain, where the trilinear interpolation algorithm breaks down. This capability is demonstrated by using the inverse distance weighting core of the IBM to model atmospheric flow in downtown Oklahoma City.
[Analytical methods for control of foodstuffs made from bioengineered plants].
Chernysheva, O N; Sorokina, E Iu
Foodstuffs made by modern biotechnology are requiring for special control. Analytical methods used for these purposes are being constantly perfected. When choosing a strategy for the analysis, several factors have to be assessed: specificity, sensitivity, practically of the method and time efficiency. To date, the GMO testing methods are mainly based on the inserted DNA sequences and newly produced proteins in GMOs. Protein detection methods are based mainly on ELISA. The specific detection of a novel protein synthesized by gene introduced during transformation constitutes an alternative approach for the identification of GMO. The genetic modification is not always specifically directed at the production of a novel protein and does not always result in protein expression levels sufficient for detection purposes. In addition, some proteins may be expressed only in specific parts of the plant or expressed at different levels in distinct parts of plant. As DNA is a rather stable molecule relative to proteins, it is preferred target for any kind of sample. These methods are more sensitive and specific than protein detection methods. PCR-based test can be categorized into several levels of specificity. The least specific methods are commonly called "screening methods" and relate to target DNA elements, such as promoters and terminators that are present in many different GMOs. For routine screening purpose regulatory elements 35S promoter, derived from the Cauliflower Mosaic Virus and the NOS terminator, derived from the nopaline synthase gene of Agrobacterium tumefaciens, are used as target sequences. The second level is "gene-specific methods". These methods target a part of the DNA harbouring the active gene associated with the specific genetic modification. The highest specificity is seen when the target is the unique junction found at the integration locus between the inserted DNA and the recipient genome. These are called "event-specific methods". For a
Accurate iterative analytic solution of theKapchinskij-Vladimirskij equations for the case of a matched beam
Anderson, Oscar A.
The well-known Kapchinskij-Vladimirskij (KV) equations are difficult to solve in general, but the problem is simplified for the matched-beam case with sufficient symmetry. They show that the interdependence of the two KV equations is eliminated, so that only one needs to be solved--a great simplification. They present an iterative method of solution which can potentially yield any desired level of accuracy. The lowest level, the well-known smooth approximation, yields simple, explicit results with good accuracy for weak or moderate focusing fields. The next level improves the accuracy for high fields; they previously showed how to maintain a simple explicit format for the results. That paper used expansion in a small parameter to obtain the second level. The present paper, using straightforward iteration, obtains equations of first, second, and third levels of accuracy. For a periodic lattice with beam matched to lattice, they use the lattice and beam parameters as input and solve for phase advances and envelope waveforms. They find excellent agreement with numerical solutions over a wide range of beam emittances and intensities.
A new class of accurate, mesh-free hydrodynamic simulation methods
NASA Astrophysics Data System (ADS)
Hopkins, Philip F.
We present two new Lagrangian methods for hydrodynamics, in a systematic comparison with moving-mesh, smoothed particle hydrodynamics (SPH), and stationary (non-moving) grid methods. The new methods are designed to simultaneously capture advantages of both SPH and grid-based/adaptive mesh refinement (AMR) schemes. They are based on a kernel discretization of the volume coupled to a high-order matrix gradient estimator and a Riemann solver acting over the volume `overlap'. We implement and test a parallel, second-order version of the method with self-gravity and cosmological integration, in the code GIZMO:1 this maintains exact mass, energy and momentum conservation; exhibits superior angular momentum conservation compared to all other methods we study; does not require `artificial diffusion' terms; and allows the fluid elements to move with the flow, so resolution is automatically adaptive. We consider a large suite of test problems, and find that on all problems the new methods appear competitive with moving-mesh schemes, with some advantages (particularly in angular momentum conservation), at the cost of enhanced noise. The new methods have many advantages versus SPH: proper convergence, good capturing of fluid-mixing instabilities, dramatically reduced `particle noise' and numerical viscosity, more accurate sub-sonic flow evolution, and sharp shock-capturing. Advantages versus non-moving meshes include: automatic adaptivity, dramatically reduced advection errors and numerical overmixing, velocity-independent errors, accurate coupling to gravity, good angular momentum conservation and elimination of `grid alignment' effects. We can, for example, follow hundreds of orbits of gaseous discs, while AMR and SPH methods break down in a few orbits. However, fixed meshes minimize `grid noise'. These differences are important for a range of astrophysical problems.
Accurate Analytic Potential Energy Function and Spectroscopic Study for G1Πg State of Dimer 7Li2
NASA Astrophysics Data System (ADS)
Shi, De-Heng; Ma, Heng; Sun, Jin-Feng; Zhu, Zun-Lue
The reasonable dissociation limit for the G1Πg state of dimer 7Li2 is determined. The equilibrium internuclear distance, dissociation energy, harmonic frequency, vibrational zero energy, and adiabatic excitation energy are calculated using a symmetry-adapted-cluster configuration-interaction method in complete active space in Gaussian03 program package at such numerous basis sets as 6-311++G, 6-311++G(2df,2pd), 6-311++G(2df,p), cc-PVTZ, 6-311++G(3df,3pd), CEP-121G, 6-311++G(2df,pd), 6-311++G(d,p),6-311G(3df,3pd), D95(3df,3pd), 6-311++G(3df,2p), 6-311++G(2df), 6-311++G(df,pd) D95V++, and DGDZVP. The complete potential energy curves are obtained at these sets over a wide internuclear distance range and have least squares fitted to Murrell-Sorbie function. The conclusion shows that the basis set 6-311++G(2df,p) is a most suitable one for the G1Πg state. At this basis set, the calculated spectroscopic constants Te, De, E0, Re, ωe, ωeχe, αe, and Be are of 3.9523 eV, 0.813 06 eV, 113.56 cm-1, 0.320 15 nm, 227.96 cm-1, 1.6928 cm-1, 0.004 436 cm-1, and 0.4689 cm-1, respectively, which are in good agreement with measurements whenever available. The total 50 vibrational levels and corresponding inertial rotation constants are for the first time calculated and compared with available RKR data. And good agreement with measurements is obtained.
21 CFR 530.40 - Safe levels and availability of analytical methods.
Code of Federal Regulations, 2013 CFR
... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Safe levels and availability of analytical methods... Safe levels and availability of analytical methods. (a) In accordance with § 530.22, the following safe... accordance with § 530.22, the following analytical methods have been accepted by FDA:...
21 CFR 530.40 - Safe levels and availability of analytical methods.
Code of Federal Regulations, 2012 CFR
... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Safe levels and availability of analytical methods... Safe levels and availability of analytical methods. (a) In accordance with § 530.22, the following safe... accordance with § 530.22, the following analytical methods have been accepted by FDA:...
21 CFR 530.22 - Safe levels and analytical methods for food-producing animals.
Code of Federal Regulations, 2012 CFR
... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Safe levels and analytical methods for food... § 530.22 Safe levels and analytical methods for food-producing animals. (a) FDA may establish a safe... analytical method; or (3) Establish a safe level based on other appropriate scientific, technical,...
21 CFR 530.22 - Safe levels and analytical methods for food-producing animals.
Code of Federal Regulations, 2011 CFR
... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Safe levels and analytical methods for food... § 530.22 Safe levels and analytical methods for food-producing animals. (a) FDA may establish a safe... analytical method; or (3) Establish a safe level based on other appropriate scientific, technical,...
40 CFR 260.21 - Petitions for equivalent testing or analytical methods.
Code of Federal Regulations, 2014 CFR
... analytical methods. 260.21 Section 260.21 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Petitions for equivalent testing or analytical methods. (a) Any person seeking to add a testing or analytical method to part 261, 264, or 265 of this chapter may petition for a regulatory amendment under...
21 CFR 530.22 - Safe levels and analytical methods for food-producing animals.
Code of Federal Regulations, 2013 CFR
... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Safe levels and analytical methods for food... § 530.22 Safe levels and analytical methods for food-producing animals. (a) FDA may establish a safe... analytical method; or (3) Establish a safe level based on other appropriate scientific, technical,...
21 CFR 530.40 - Safe levels and availability of analytical methods.
Code of Federal Regulations, 2011 CFR
... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Safe levels and availability of analytical methods... Safe levels and availability of analytical methods. (a) In accordance with § 530.22, the following safe... accordance with § 530.22, the following analytical methods have been accepted by FDA:...
21 CFR 530.40 - Safe levels and availability of analytical methods.
Code of Federal Regulations, 2014 CFR
... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Safe levels and availability of analytical methods... Safe levels and availability of analytical methods. (a) In accordance with § 530.22, the following safe... accordance with § 530.22, the following analytical methods have been accepted by FDA:...
21 CFR 530.40 - Safe levels and availability of analytical methods.
Code of Federal Regulations, 2010 CFR
... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Safe levels and availability of analytical methods... Safe levels and availability of analytical methods. (a) In accordance with § 530.22, the following safe... accordance with § 530.22, the following analytical methods have been accepted by FDA:...
21 CFR 530.22 - Safe levels and analytical methods for food-producing animals.
Code of Federal Regulations, 2014 CFR
... analytical method; or (3) Establish a safe level based on other appropriate scientific, technical, or... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Safe levels and analytical methods for food... § 530.22 Safe levels and analytical methods for food-producing animals. (a) FDA may establish a...
Review of Processing and Analytical Methods for Francisella ...
Journal Article The etiological agent of tularemia, Francisella tularensis, is a resilient organism within the environment and can be acquired many ways (infectious aerosols and dust, contaminated food and water, infected carcasses, and arthropod bites). However, isolating F. tularensis from environmental samples can be challenging due to its nutritionally fastidious and slow-growing nature. In order to determine the current state of the science regarding available processing and analytical methods for detection and recovery of F. tularensis from water and soil matrices, a review of the literature was conducted. During the review, analysis via culture, immunoassays, and genomic identification were the most commonly found methods for F. tularensis detection within environmental samples. Other methods included combined culture and genomic analysis for rapid quantification of viable microorganisms and use of one assay to identify multiple pathogens from a single sample. Gaps in the literature that were identified during this review suggest that further work to integrate culture and genomic identification would advance our ability to detect and to assess the viability of Francisella spp. The optimization of DNA extraction, whole genome amplification with inhibition-resistant polymerases, and multiagent microarray detection would also advance biothreat detection.
A Simple yet Accurate Method for the Estimation of the Biovolume of Planktonic Microorganisms
Determining the biomass of microbial plankton is central to the study of fluxes of energy and materials in aquatic ecosystems. This is typically accomplished by applying proper volume-to-carbon conversion factors to group-specific abundances and biovolumes. A critical step in this approach is the accurate estimation of biovolume from two-dimensional (2D) data such as those available through conventional microscopy techniques or flow-through imaging systems. This paper describes a simple yet accurate method for the assessment of the biovolume of planktonic microorganisms, which works with any image analysis system allowing for the measurement of linear distances and the estimation of the cross sectional area of an object from a 2D digital image. The proposed method is based on Archimedes' principle about the relationship between the volume of a sphere and that of a cylinder in which the sphere is inscribed, plus a coefficient of 'unellipticity' introduced here. Validation and careful evaluation of the method are provided using a variety of approaches. The new method proved to be highly precise with all convex shapes characterised by approximate rotational symmetry, and combining it with an existing method specific for highly concave or branched shapes allows covering the great majority of cases with good reliability. Thanks to its accuracy, consistency, and low resources demand, the new method can conveniently be used in substitution of any extant method designed for convex shapes, and can readily be coupled with automated cell imaging technologies, including state-of-the-art flow-through imaging devices. PMID:27195667
A hybrid Boundary Element Unstructured Transmission-line (BEUT) method for accurate 2D electromagnetic simulation
NASA Astrophysics Data System (ADS)
Simmons, Daniel; Cools, Kristof; Sewell, Phillip
Time domain electromagnetic simulation tools have the ability to model transient, wide-band applications, and non-linear problems. The Boundary Element Method (BEM) and the Transmission Line Modeling (TLM) method are both well established numerical techniques for simulating time-varying electromagnetic fields. The former surface based method can accurately describe outwardly radiating fields from piecewise uniform objects and efficiently deals with large domains filled with homogeneous media. The latter volume based method can describe inhomogeneous and non-linear media and has been proven to be unconditionally stable. Furthermore, the Unstructured TLM (UTLM) enables modelling of geometrically complex objects by using triangular meshes which removes staircasing and unnecessary extensions of the simulation domain. The hybridization of BEM and UTLM which is described in this paper is named the Boundary Element Unstructured Transmission-line (BEUT) method. It incorporates the advantages of both methods. The theory and derivation of the 2D BEUT method is described in this paper, along with any relevant implementation details. The method is corroborated by studying its correctness and efficiency compared to the traditional UTLM method when applied to complex problems such as the transmission through a system of Luneburg lenses and the modelling of antenna radomes for use in wireless communications.
Method for accurate optical alignment using diffraction rings from lenses with spherical aberration.
Gwynn, R B; Christensen, D A
A useful alignment method is presented that exploits the closely spaced concentric fringes that form in the longitudinal spherical aberration region of positive spherical lenses imaging a point source. To align one or more elements to a common axis, spherical lenses are attached precisely to the elements and the resulting diffraction rings are made to coincide. We modeled the spherical aberration of the lenses by calculating the diffraction patterns of converging plane waves passing through concentric narrow annular apertures. The validity of the model is supported by experimental data and is determined to be accurate for a prototype penumbral imaging alignment system developed at Lawrence Livermore National Laboratory.
Accurate prediction of adsorption energies on graphene, using a dispersion-corrected semiempirical method including solvation.
Vincent, Mark A; Hillier, Ian H
The accurate prediction of the adsorption energies of unsaturated molecules on graphene in the presence of water is essential for the design of molecules that can modify its properties and that can aid its processability. We here show that a semiempirical MO method corrected for dispersive interactions (PM6-DH2) can predict the adsorption energies of unsaturated hydrocarbons and the effect of substitution on these values to an accuracy comparable to DFT values and in good agreement with the experiment. The adsorption energies of TCNE, TCNQ, and a number of sulfonated pyrenes are also predicted, along with the effect of hydration using the COSMO model.
A simple and accurate resist parameter extraction method for sub-80-nm DRAM patterns
NASA Astrophysics Data System (ADS)
Lee, Sook; Hwang, Chan; Park, Dong-Woon; Kim, In-Sung; Kim, Ho-Chul; Woo, Sang-Gyun; Cho, Han-Ku; Moon, Joo-Tae
Due to the polarization effect of high NA lithography, the consideration of resist effect in lithography simulation becomes increasingly important. In spite of the importance of resist simulation, many process engineers are reluctant to consider resist effect in lithography simulation due to time-consuming procedure to extract required resist parameters and the uncertainty of measurement of some parameters. Weiss suggested simplified development model, and this model does not require the complex kinetic parameters. For the device fabrication engineers, there is a simple and accurate parameter extraction and optimizing method using Weiss model. This method needs refractive index, Dill"s parameters and development rate monitoring (DRM) data in parameter extraction. The parameters extracted using referred sequence is not accurate, so that we have to optimize the parameters to fit the critical dimension scanning electron microscopy (CD SEM) data of line and space patterns. Hence, the FiRM of Sigma-C is utilized as a resist parameter-optimizing program. According to our study, the illumination shape, the aberration and the pupil mesh point have a large effect on the accuracy of resist parameter in optimization. To obtain the optimum parameters, we need to find the saturated mesh points in terms of normalized intensity log slope (NILS) prior to an optimization. The simulation results using the optimized parameters by this method shows good agreement with experiments for iso-dense bias, Focus-Exposure Matrix data and sub 80nm device pattern simulation.
Accurate Adaptive Level Set Method and Sharpening Technique for Three Dimensional Deforming Interfaces
NASA Technical Reports Server (NTRS)
Kim, Hyoungin; Liou, Meng-Sing
In this paper, we demonstrate improved accuracy of the level set method for resolving deforming interfaces by proposing two key elements: (1) accurate level set solutions on adapted Cartesian grids by judiciously choosing interpolation polynomials in regions of different grid levels and (2) enhanced reinitialization by an interface sharpening procedure. The level set equation is solved using a fifth order WENO scheme or a second order central differencing scheme depending on availability of uniform stencils at each grid point. Grid adaptation criteria are determined so that the Hamiltonian functions at nodes adjacent to interfaces are always calculated by the fifth order WENO scheme. This selective usage between the fifth order WENO and second order central differencing schemes is confirmed to give more accurate results compared to those in literature for standard test problems. In order to further improve accuracy especially near thin filaments, we suggest an artificial sharpening method, which is in a similar form with the conventional re-initialization method but utilizes sign of curvature instead of sign of the level set function. Consequently, volume loss due to numerical dissipation on thin filaments is remarkably reduced for the test problems
4-Component correlated all-electron study on Eka-actinium Fluoride (E121F) including Gaunt interaction: Accurate analytical form, bonding and influence on rovibrational spectra
NASA Astrophysics Data System (ADS)
Amador, Davi H. T.; de Oliveira, Heibbe C. B.; Sambrano, Julio R.; Gargano, Ricardo; de Macedo, Luiz Guilherme M.
A prolapse-free basis set for Eka-Actinium (E121, Z = 121), numerical atomic calculations on E121, spectroscopic constants and accurate analytical form for the potential energy curve of diatomic E121F obtained at 4-component all-electron CCSD(T) level including Gaunt interaction are presented. The results show a strong and polarized bond (≈181 kcal/mol in strength) between E121 and F, the outermost frontier molecular orbitals from E121F should be fairly similar to the ones from AcF and there is no evidence of break of periodic trends. Moreover, the Gaunt interaction, although small, is expected to influence considerably the overall rovibrational spectra.
Stiffly accurate Runge-Kutta methods for nonlinear evolution problems governed by a monotone operator
NASA Astrophysics Data System (ADS)
Emmrich, Etienne; Thalhammer, Mechthild
Stiffly accurate implicit Runge-Kutta methods are studied for the time discretisation of nonlinear first-order evolution equations. The equation is supposed to be governed by a time-dependent hemicontinuous operator that is (up to a shift) monotone and coercive, and fulfills a certain growth condition. It is proven that the piecewise constant as well as the piecewise linear interpolant of the time-discrete solution converges towards the exact weak solution, provided the Runge-Kutta method is consistent and satisfies a stability criterion that implies algebraic stability; examples are the Radau IIA and Lobatto IIIC methods. The convergence analysis is also extended to problems involving a strongly continuous perturbation of the monotone main part.
Analytical resource assessment method for continuous (unconventional) oil and gas accumulations - The "ACCESS" Method
Crovelli, Robert A.; revised by Charpentier, Ronald R.
The U.S. Geological Survey (USGS) periodically assesses petroleum resources of areas within the United States and the world. The purpose of this report is to explain the development of an analytic probabilistic method and spreadsheet software system called Analytic Cell-Based Continuous Energy Spreadsheet System (ACCESS). The ACCESS method is based upon mathematical equations derived from probability theory. The ACCESS spreadsheet can be used to calculate estimates of the undeveloped oil, gas, and NGL (natural gas liquids) resources in a continuous-type assessment unit. An assessment unit is a mappable volume of rock in a total petroleum system. In this report, the geologic assessment model is defined first, the analytic probabilistic method is described second, and the spreadsheet ACCESS is described third. In this revised version of Open-File Report 00-044 , the text has been updated to reflect modifications that were made to the ACCESS program. Two versions of the program are added as appendixes.
Stable and accurate difference methods for seismic wave propagation on locally refined meshes
NASA Astrophysics Data System (ADS)
Petersson, A.; Rodgers, A.; Nilsson, S.; Sjogreen, B.; McCandless, K.
To overcome some of the shortcomings of previous numerical methods for the elastic wave equation subject to stress-free boundary conditions, we are incorporating recent results from numerical analysis to develop a new finite difference method which discretizes the governing equations in second order displacement formulation. The most challenging aspect of finite difference methods for time dependent hyperbolic problems is clearly stability and some previous methods are known to be unstable when the material has a compressional velocity which exceeds about three times the shear velocity. Since the material properties in seismic applications often vary rapidly on the computational grid, the most straight forward approach for guaranteeing stability is through an energy estimate. For a hyperbolic system in second order formulation, the key to an energy estimate is a spatial discretization which is self-adjoint, i.e. corresponds to a symmetric or symmetrizable matrix. At the same time we want the scheme to be efficient and fully explicit, so only local operations are necessary to evolve the solution in the interior of the domain as well as on the free-surface boundary. Furthermore, we want the solution to be accurate when the data is smooth. Using these specifications, we developed an explicit second order accurate discretization where stability is guaranteed through an energy estimate for all ratios Cp/Cs. An implementation of our finite difference method was used to simulate ground motions during the 1906 San Francisco earthquake on a uniform grid with grid sizes down to 100 meters corresponding to over 4 Billion grid points. These simulations were run on 1024 processors on one of the supercomputers at Lawrence Livermore National Lab. To reduce the computational requirements for these simulations, we are currently extending the numerical method to use a locally refined mesh where the mesh size approximately follows the velocity structure in the domain. Some
An analytical method for predicting postwildfire peak discharges
Moody, John A.
An analytical method presented here that predicts postwildfire peak discharge was developed from analysis of paired rainfall and runoff measurements collected from selected burned basins. Data were collected from 19 mountainous basins burned by eight wildfires in different hydroclimatic regimes in the western United States (California, Colorado, Nevada, New Mexico, and South Dakota). Most of the data were collected for the year of the wildfire and for 3 to 4 years after the wildfire. These data provide some estimate of the changes with time of postwildfire peak discharges, which are known to be transient but have received little documentation. The only required inputs for the analytical method are the burned area and a quantitative measure of soil burn severity (change in the normalized burn ratio), which is derived from Landsat reflectance data and is available from either the U.S. Department of Agriculture Forest Service or the U.S. Geological Survey. The method predicts the postwildfire peak discharge per unit burned area for the year of a wildfire, the first year after a wildfire, and the second year after a wildfire. It can be used at three levels of information depending on the data available to the user; each subsequent level requires either more data or more processing of the data. Level 1 requires only the burned area. Level 2 requires the burned area and the basin average value of the change in the normalized burn ratio. Level 3 requires the burned area and the calculation of the hydraulic functional connectivity, which is a variable that incorporates the sequence of soil burn severity along hillslope flow paths within the burned basin. Measurements indicate that the unit peak discharge response increases abruptly when the 30-minute maximum rainfall intensity is greater than about 5 millimeters per hour (0.2 inches per hour). This threshold may relate to a change in runoff generation from saturated-excess to infiltration-excess overland flow. The
Tiered analytics for purity assessment of macrocyclic peptides in drug discovery: Analytical consideration and method development.
Qian Cutrone, Jingfang Jenny; Huang, Xiaohua Stella; Kozlowski, Edward S; Bao, Ye; Wang, Yingzi; Poronsky, Christopher S; Drexler, Dieter M; Tymiak, Adrienne A
Synthetic macrocyclic peptides with natural and unnatural amino acids have gained considerable attention from a number of pharmaceutical/biopharmaceutical companies in recent years as a promising approach to drug discovery, particularly for targets involving protein-protein or protein-peptide interactions. Analytical scientists charged with characterizing these leads face multiple challenges including dealing with a class of complex molecules with the potential for multiple isomers and variable charge states and no established standards for acceptable analytical characterization of materials used in drug discovery. In addition, due to the lack of intermediate purification during solid phase peptide synthesis, the final products usually contain a complex profile of impurities. In this paper, practical analytical strategies and methodologies were developed to address these challenges, including a tiered approach to assessing the purity of macrocyclic peptides at different stages of drug discovery. Our results also showed that successful progression and characterization of a new drug discovery modality benefited from active analytical engagement, focusing on fit-for-purpose analyses and leveraging a broad palette of analytical technologies and resources.
Pesticides in honey: A review on chromatographic analytical methods.
Tette, Patrícia Amaral Souza; Rocha Guidi, Letícia; Glória, Maria Beatriz de Abreu; Fernandes, Christian
Honey is a product of high consumption due to its nutritional and antimicrobial properties. However, residues of pesticides, used in plagues' treatment in the hive or in crop fields in the neighborhoods, can compromise its quality. Therefore, determination of these contaminants in honey is essential, since the use of pesticides has increased significantly in recent decades because of the growing demand for food production. Furthermore, pesticides in honey can be an indicator of environmental contamination. As the concentration of these compounds in honey is usually at trace levels and several pesticides can be found simultaneously, the use of highly sensitive and selective techniques is required. In this context, miniaturized sample preparation approaches and liquid or gas chromatography coupled to mass spectrometry became the most important analytical techniques. In this review we present and discuss recent studies dealing with pesticide determination in honey, focusing on sample preparation and separation/detection methods as well as application of the developed methods worldwide. Furthermore, trends and future perspectives are presented.
Pyrrolizidine alkaloids in honey: comparison of analytical methods.
Kempf, M; Wittig, M; Reinhard, A; von der Ohe, K; Blacquière, T; Raezke, K-P; Michel, R; Schreier, P; Beuerle, T
Pyrrolizidine alkaloids (PAs) are a structurally diverse group of toxicologically relevant secondary plant metabolites. Currently, two analytical methods are used to determine PA content in honey. To achieve reasonably high sensitivity and selectivity, mass spectrometry detection is demanded. One method is an HPLC-ESI-MS-MS approach, the other a sum parameter method utilising HRGC-EI-MS operated in the selected ion monitoring mode (SIM). To date, no fully validated or standardised method exists to measure the PA content in honey. To establish an LC-MS method, several hundred standard pollen analysis results of raw honey were analysed. Possible PA plants were identified and typical commercially available marker PA-N-oxides (PANOs). Three distinct honey sets were analysed with both methods. Set A consisted of pure Echium honey (61-80% Echium pollen). Echium is an attractive bee plant. It is quite common in all temperate zones worldwide and is one of the major reasons for PA contamination in honey. Although only echimidine/echimidine-N-oxide were available as reference for the LC-MS target approach, the results for both analytical techniques matched very well (n = 8; PA content ranging from 311 to 520 µg kg(-1)). The second batch (B) consisted of a set of randomly picked raw honeys, mostly originating from Eupatorium spp. (0-15%), another common PA plant, usually characterised by the occurrence of lycopsamine-type PA. Again, the results showed good consistency in terms of PA-positive samples and quantification results (n = 8; ranging from 0 to 625 µg kg(-1) retronecine equivalents). The last set (C) was obtained by consciously placing beehives in areas with a high abundance of Jacobaea vulgaris (ragwort) from the Veluwe region (the Netherlands). J. vulgaris increasingly invades countrysides in Central Europe, especially areas with reduced farming or sites with natural restorations. Honey from two seasons (2007 and 2008) was sampled. While only trace amounts of
Analytical Methods in Untargeted Metabolomics: State of the Art in 2015
Alonso, Arnald; Marsal, Sara; Julià, Antonio
Metabolomics comprises the methods and techniques that are used to measure the small molecule composition of biofluids and tissues, and is actually one of the most rapidly evolving research fields. The determination of the metabolomic profile – the metabolome – has multiple applications in many biological sciences, including the developing of new diagnostic tools in medicine. Recent technological advances in nuclear magnetic resonance and mass spectrometry are significantly improving our capacity to obtain more data from each biological sample. Consequently, there is a need for fast and accurate statistical and bioinformatic tools that can deal with the complexity and volume of the data generated in metabolomic studies. In this review, we provide an update of the most commonly used analytical methods in metabolomics, starting from raw data processing and ending with pathway analysis and biomarker identification. Finally, the integration of metabolomic profiles with molecular data from other high-throughput biotechnologies is also reviewed. PMID:25798438
Comparison of three prospective analytical methods for benzene analysis in jet-fuel environments. Final report
Hossain, M.A.
Accurate analysis of benzene in jet fuel has been a concern over the past several years. The method we have been using to analyze benzene in jet fuel is the NIOSH 1501 method, a method specifically designed for aromatic hydrocarbons including benzene. However, the method is not designed for analysis of benzene in jet fuel environments. At the present time there is no approved (either by NIOSH or OSHA) method for analysis of benzene in fuel environments. At the request of HQ AAC/SGPB, we recently conducted a study to compare three prospective analytical methods (NIOSH method 1501 (GC/FID wtih packed column) modified NIOSH 1501 method (GC/FID with capillary column), and High Pressure Liquid Chromatography with Ultraviolet Detection (HPLC/UV)). In this study spiked charcoal tube samples as well as air samples of known concentrations of benzene in JP-4 and Stoddard Solvents were analyzed by all three methods. The test results showed that modified NIOSH 1501 and HPLC methods had good correlation between spiked and measured amount of benzene in JP-4 and Stoddard Solvent mixtures. The NIOSH 1501 method utilizing packed column over estimated the test benzene concentration indicating positive interference from other hydrocarbons present in JP 4 and Stoddard Solvents.
A new computer program has been developed to determine time-of-travel capture zones in relatively simple geohydrological settings. The WhAEM package contains an analytic element model that uses superposition of (many) closed form analytical solutions to generate a ground-water fl...
Improved analytical method to study the cup anemometer performance
NASA Astrophysics Data System (ADS)
Pindado, Santiago; Ramos-Cenzano, Alvaro; Cubas, Javier
The cup anemometer rotor aerodynamics is analytically studied based on the aerodynamics of a single cup. The effect of the rotation on the aerodynamic force is included in the analytical model, together with the displacement of the aerodynamic center during one turn of the cup. The model can be fitted to the testing results, indicating the presence of both the aforementioned effects.
40 CFR 136.6 - Method modifications and analytical requirements.
Code of Federal Regulations, 2014 CFR
... state. Gentle heating of the sample during purging (e.g., 40 °C) increases purging efficiency of... significantly reduce the amount of water introduced to the analytical system, thus improving the precision of... and is a significant interference for analytical systems (GC and GC/MS). Modern water...
40 CFR 136.6 - Method modifications and analytical requirements.
Code of Federal Regulations, 2012 CFR
... state. Gentle heating of the sample during purging (e.g., 40 °C) increases purging efficiency of... significantly reduce the amount of water introduced to the analytical system, thus improving the precision of... and is a significant interference for analytical systems (GC and GC/MS). Modern water...
40 CFR 136.6 - Method modifications and analytical requirements.
Code of Federal Regulations, 2013 CFR
... state. Gentle heating of the sample during purging (e.g., 40 °C) increases purging efficiency of... significantly reduce the amount of water introduced to the analytical system, thus improving the precision of... and is a significant interference for analytical systems (GC and GC/MS). Modern water...
Novel method for accurate g measurements in electron-spin resonance
NASA Astrophysics Data System (ADS)
Stesmans, A.; Van Gorp, G.
In high-accuracy work, electron-spin-resonance (ESR) g values are generally determined by calibrating against the accurately known proton nuclear magnetic resonance (NMR). For that method—based on leakage of microwave energy out of the ESR cavity—a convenient technique is presented to obtain accurate g values without needing conscientious precalibration procedures or cumbersome constructions. As main advantages, the method allows the easy monitoring of the positioning of the ESR and NMR samples while they are mounted as close as physically realizable at all time during their simultaneous resonances. Relative accuracies on g of ≊2×10-6 are easily achieved for ESR signals of peak-to-peak width ΔBpp≲0.3 G. The method has been applied to calibrate the g value of conduction electrons of small Li particles embedded in LiF—a frequently used g marker—resulting in gLiF: Li=2.002 293±0.000 002.
Indirect viscosimetric method is less accurate than ektacytometry for the measurement of red blood cell deformability.
Vent-Schmidt, Jens; Waltz, Xavier; Pichon, Aurélien; Hardy-Dessources, Marie-Dominique; Romana, Marc; Connes, Philippe
The aim of this study was to test the accuracy of viscosimetric method to estimate the red blood cell (RBC) deformability properties. Thirty-three subjects were enrolled in this study: 6 healthy subjects (AA), 11 patients with sickle cell-hemoglobin C disease (SC) and 16 patients with sickle cell anemia (SS). Two methods were used to assess RBC deformability: 1) indirect viscosimetric method and 2) ektacytometry. The indirect viscosimetric method was based on the Dintenfass equation where blood viscosity, plasma viscosity and hematocrit are measured and used to calculate an index of RBC rigidity (Tk index). The RBC deformability/rigidity of the three groups was compared using the two methods. Tk index was not different between SS and SC patients and the two groups had higher values than AA group. When ektacytometry was used, RBC deformability was lower in SS and SC groups compared to the AA group and SS and SC patients were different. Although the two measures of RBC deformability were correlated, the association was not very high. Bland and Altman analysis demonstrated a 3.25 bias suggesting a slight difference between the two methods. In addition, the limit of agreement represented 28% (>15%) of the mean values of RBC deformability, showing no interchangeability between the two methods. In conclusion, measuring RBC deformability by indirect viscosimetry is less accurate than by ektacytometry, which is considered the gold standard.
Characterization, thermal stability studies, and analytical method development of Paromomycin for formulation development.
Khan, Wahid; Kumar, Neeraj
Paromomycin (PM) is an aminoglycoside antibiotic, first isolated in the 1950s, and approved in 2006 for treatment of visceral leishmaniasis. Although isolated six decades back, sufficient information essential for development of pharmaceutical formulation is not available for PM. The purpose of this paper was to determine thermal stability and development of new analytical method for formulation development of PM. PM was characterized by thermoanalytical (DSC, TGA, and HSM) and by spectroscopic (FTIR) techniques and these techniques were used to establish thermal stability of PM after heating PM at 100, 110, 120, and 130 °C for 24 h. Biological activity of these heated samples was also determined by microbiological assay. Subsequently, a simple, rapid and sensitive RP-HPLC method for quantitative determination of PM was developed using pre-column derivatization with 9-fluorenylmethyl chloroformate. The developed method was applied to estimate PM quantitatively in two parenteral dosage forms. PM was successfully characterized by various stated techniques. These techniques indicated stability of PM for heating up to 120 °C for 24 h, but when heated at 130 °C, PM is liable to degradation. This degradation is also observed in microbiological assay where PM lost ∼30% of its biological activity when heated at 130 °C for 24 h. New analytical method was developed for PM in the concentration range of 25-200 ng/ml with intra-day and inter-day variability of < 2%RSD. Characterization techniques were established and stability of PM was determined successfully. Developed analytical method was found sensitive, accurate, and precise for quantification of PM. Copyright © 2010 John Wiley & Sons, Ltd.
A hybrid method for efficient and accurate simulations of diffusion compartment imaging signals
NASA Astrophysics Data System (ADS)
Rensonnet, Gaëtan; Jacobs, Damien; Macq, Benoît; Taquet, Maxime
Diffusion-weighted imaging is sensitive to the movement of water molecules through the tissue microstructure and can therefore be used to gain insight into the tissue cellular architecture. While the diffusion signal arising from simple geometrical microstructure is known analytically, it remains unclear what diffusion signal arises from complex microstructural configurations. Such knowledge is important to design optimal acquisition sequences, to understand the limitations of diffusion-weighted imaging and to validate novel models of the brain microstructure. We present a novel framework for the efficient simulation of high-quality DW-MRI signals based on the hybrid combination of exact analytic expressions in simple geometric compartments such as cylinders and spheres and Monte Carlo simulations in more complex geometries. We validate our approach on synthetic arrangements of parallel cylinders representing the geometry of white matter fascicles, by comparing it to complete, all-out Monte Carlo simulations commonly used in the literature. For typical configurations, equal levels of accuracy are obtained with our hybrid method in less than one fifth of the computational time required for Monte Carlo simulations.
An adaptive, formally second order accurate version of the immersed boundary method
NASA Astrophysics Data System (ADS)
Griffith, Boyce E.; Hornung, Richard D.; McQueen, David M.; Peskin, Charles S.
Like many problems in biofluid mechanics, cardiac mechanics can be modeled as the dynamic interaction of a viscous incompressible fluid (the blood) and a (visco-)elastic structure (the muscular walls and the valves of the heart). The immersed boundary method is a mathematical formulation and numerical approach to such problems that was originally introduced to study blood flow through heart valves, and extensions of this work have yielded a three-dimensional model of the heart and great vessels. In the present work, we introduce a new adaptive version of the immersed boundary method. This adaptive scheme employs the same hierarchical structured grid approach (but a different numerical scheme) as the two-dimensional adaptive immersed boundary method of Roma et al. [A multilevel self adaptive version of the immersed boundary method, Ph.D. Thesis, Courant Institute of Mathematical Sciences, New York University, 1996; An adaptive version of the immersed boundary method, J. Comput. Phys. 153 (2) (1999) 509-534] and is based on a formally second order accurate (i.e., second order accurate for problems with sufficiently smooth solutions) version of the immersed boundary method that we have recently described [B.E. Griffith, C.S. Peskin, On the order of accuracy of the immersed boundary method: higher order convergence rates for sufficiently smooth problems, J. Comput. Phys. 208 (1) (2005) 75-105]. Actual second order convergence rates are obtained for both the uniform and adaptive methods by considering the interaction of a viscous incompressible flow and an anisotropic incompressible viscoelastic shell. We also present initial results from the application of this methodology to the three-dimensional simulation of blood flow in the heart and great vessels. The results obtained by the adaptive method show good qualitative agreement with simulation results obtained by earlier non-adaptive versions of the method, but the flow in the vicinity of the model heart valves
Optical Coherence Tomography as a Rapid, Accurate, Noncontact Method of Visualizing the Palisades of Vogt
Gupta, Divya; Kagemann, Larry; Schuman, Joel S.; SundarRaj, Nirmala
Purpose. This study explored the efficacy of optical coherence tomography (OCT) as a high-resolution, noncontact method for imaging the palisades of Vogt by correlating OCT and confocal microscopy images. Methods. Human limbal rims were acquired and imaged with OCT and confocal microscopy. The area of the epithelial basement membrane in each of these sets was digitally reconstructed, and the models were compared. Results. OCT identified the palisades within the limbus and exhibited excellent structural correlation with immunostained tissue imaged by confocal microscopy. Conclusions. OCT successfully identified the limbal palisades of Vogt that constitute the corneal epithelial stem cell niche. These findings offer the exciting potential to characterize the architecture of the palisades in vivo, to harvest stem cells for transplantation more accurately, to track palisade structure for better diagnosis, follow-up and staging of treatment, and to assess and intervene in the progression of stem cell depletion by monitoring changes in the structure of the palisades. PMID:22266521
A Fully Implicit Time Accurate Method for Hypersonic Combustion: Application to Shock-induced Combustion Instability
NASA Technical Reports Server (NTRS)
Yungster, Shaye; Radhakrishnan, Krishnan
A new fully implicit, time accurate algorithm suitable for chemically reacting, viscous flows in the transonic-to-hypersonic regime is described. The method is based on a class of Total Variation Diminishing (TVD) schemes and uses successive Gauss-Siedel relaxation sweeps. The inversion of large matrices is avoided by partitioning the system into reacting and nonreacting parts, but still maintaining a fully coupled interaction. As a result, the matrices that have to be inverted are of the same size as those obtained with the commonly used point implicit methods. In this paper we illustrate the applicability of the new algorithm to hypervelocity unsteady combustion applications. We present a series of numerical simulations of the periodic combustion instabilities observed in ballistic-range experiments of blunt projectiles flying at subdetonative speeds through hydrogen-air mixtures. The computed frequencies of oscillation are in excellent agreement with experimental data.
Odontoma-associated tooth impaction: accurate diagnosis with simple methods? Case report and literature review.
Troeltzsch, Matthias; Liedtke, Jan; Troeltzsch, Volker; Frankenberger, Roland; Steiner, Timm; Troeltzsch, Markus
Odontomas account for the largest fraction of odontogenic tumors and are frequent causes of tooth impaction. A case of a 13-year-old female patient with an odontoma-associated impaction of a mandibular molar is presented with a review of the literature. Preoperative planning involved simple and convenient methods such as clinical examination and panoramic radiography, which led to a diagnosis of complex odontoma and warranted surgical removal. The clinical diagnosis was confirmed histologically. Multidisciplinary consultation may enable the clinician to find the accurate diagnosis and appropriate therapy based on the clinical and radiographic appearance. Modern radiologic methods such as cone-beam computed tomography or computed tomography should be applied only for special cases, to decrease radiation.
Accurate Hf isotope determinations of complex zircons using the "laser ablation split stream" method
NASA Astrophysics Data System (ADS)
Fisher, Christopher M.; Vervoort, Jeffery D.; DuFrane, S. Andrew
The "laser ablation split stream" (LASS) technique is a powerful tool for mineral-scale isotope analyses and in particular, for concurrent determination of age and Hf isotope composition of zircon. Because LASS utilizes two independent mass spectrometers, a large range of masses can be measured during a single ablation, and thus, the same sample volume can be analyzed for multiple geochemical systems. This paper describes a simple analytical setup using a laser ablation system coupled to a single-collector (for U-Pb age determination) and a multicollector (for Hf isotope analyses) inductively coupled plasma mass spectrometer (MC-ICPMS). The ability of the LASS for concurrent Hf + age technique to extract meaningful Hf isotope compositions in isotopically zoned zircon is demonstrated using zircons from two Proterozoic gneisses from northern Idaho, USA. These samples illustrate the potential problems associated with inadvertently sampling multiple age and Hf components in zircons, as well as the potential of LASS to recover meaningful Hf isotope compositions. We suggest that such inadvertent sampling of differing age and Hf components can be a significant cause of excess scatter in Hf isotope analyses and demonstrate that the LASS approach offers a robust solution to these issues. The veracity of the approach is demonstrated by accurate analyses of 10 reference zircons with well-characterized age and Hf isotopic composition, using laser spot diameters of 30 and 40 µm. In order to expand the database of high-precision Lu-Hf isotope analyses of reference zircons, we present 27 new isotope dilution-MC-ICPMS Lu-Hf isotope measurements of five U-Pb zircon standards: FC1, Temora, R33, QGNG, and 91500.
An analytical filter design method for guided wave phased arrays
NASA Astrophysics Data System (ADS)
Kwon, Hyu-Sang; Kim, Jin-Yeon
This paper presents an analytical method for designing a spatial filter that processes the data from an array of two-dimensional guided wave transducers. An inverse problem is defined where the spatial filter coefficients are determined in such a way that a prescribed beam shape, i.e., a desired array output is best approximated in the least-squares sense. Taking advantage of the 2π-periodicity of the generated wave field, Fourier-series representation is used to derive closed-form expressions for the constituting matrix elements. Special cases in which the desired array output is an ideal delta function and a gate function are considered in a more explicit way. Numerical simulations are performed to examine the performance of the filters designed by the proposed method. It is shown that the proposed filters can significantly improve the beam quality in general. Most notable is that the proposed method does not compromise between the main lobe width and the sidelobe levels; i.e. a narrow main lobe and low sidelobes are simultaneously achieved. It is also shown that the proposed filter can compensate the effects of nonuniform directivity and sensitivity of array elements by explicitly taking these into account in the formulation. From an example of detecting two separate targets, how much the angular resolution can be improved as compared to the conventional delay-and-sum filter is quantitatively illustrated. Lamb wave based imaging of localized defects in an elastic plate using a circular array is also presented as an example of practical applications.
Basic Information for EPA's Selected Analytical Methods for Environmental Remediation and Recovery (SAM)
Contains basic information on the role and origins of the Selected Analytical Methods including the formation of the Homeland Security Laboratory Capacity Work Group and the Environmental Evaluation Analytical Process Roadmap for Homeland Security Events
Selection and authentication of botanical materials for the development of analytical methods.
Applequist, Wendy L; Miller, James S
Herbal products, for example botanical dietary supplements, are widely used. Analytical methods are needed to ensure that botanical ingredients used in commercial products are correctly identified and that research materials are of adequate quality and are sufficiently characterized to enable research to be interpreted and replicated. Adulteration of botanical material in commerce is common for some species. The development of analytical methods for specific botanicals, and accurate reporting of research results, depend critically on correct identification of test materials. Conscious efforts must therefore be made to ensure that the botanical identity of test materials is rigorously confirmed and documented through preservation of vouchers, and that their geographic origin and handling are appropriate. Use of material with an associated herbarium voucher that can be botanically identified is always ideal. Indirect methods of authenticating bulk material in commerce, for example use of organoleptic, anatomical, chemical, or molecular characteristics, are not always acceptable for the chemist's purposes. Familiarity with botanical and pharmacognostic literature is necessary to determine what potential adulterants exist and how they may be distinguished.
Analytical method to estimate resin cement diffusion into dentin
NASA Astrophysics Data System (ADS)
de Oliveira Ferraz, Larissa Cristina; Ubaldini, Adriana Lemos Mori; de Oliveira, Bruna Medeiros Bertol; Neto, Antonio Medina; Sato, Fracielle; Baesso, Mauro Luciano; Pascotto, Renata Corrêa
This study analyzed the diffusion of two resin luting agents (resin cements) into dentin, with the aim of presenting an analytical method for estimating the thickness of the diffusion zone. Class V cavities were prepared in the buccal and lingual surfaces of molars (n=9). Indirect composite inlays were luted into the cavities with either a self-adhesive or a self-etch resin cement. The teeth were sectioned bucco-lingually and the cement-dentin interface was analyzed by using micro-Raman spectroscopy (MRS) and scanning electron microscopy. Evolution of peak intensities of the Raman bands, collected from the functional groups corresponding to the resin monomer (C-O-C, 1113 cm-1) present in the cements, and the mineral content (P-O, 961 cm-1) in dentin were sigmoid shaped functions. A Boltzmann function (BF) was then fitted to the peaks encountered at 1113 cm-1 to estimate the resin cement diffusion into dentin. The BF identified a resin cement-dentin diffusion zone of 1.8±0.4 μm for the self-adhesive cement and 2.5±0.3 μm for the self-etch cement. This analysis allowed the authors to estimate the diffusion of the resin cements into the dentin. Fitting the MRS data to the BF contributed to and is relevant for future studies of the adhesive interface.
NIOSH Manual of Analytical Methods (third edition). Fourth supplement
Not Available
The NIOSH Manual of Analytical Methods, 3rd edition, was updated for the following chemicals: allyl-glycidyl-ether, 2-aminopyridine, aspartame, bromine, chlorine, n-butylamine, n-butyl-glycidyl-ether, carbon-dioxide, carbon-monoxide, chlorinated-camphene, chloroacetaldehyde, p-chlorophenol, crotonaldehyde, 1,1-dimethylhydrazine, dinitro-o-cresol, ethyl-acetate, ethyl-formate, ethylenimine, sodium-fluoride, hydrogen-fluoride, cryolite, sodium-hexafluoroaluminate, formic-acid, hexachlorobutadiene, hydrogen-cyanide, hydrogen-sulfide, isopropyl-acetate, isopropyl-ether, isopropyl-glycidyl-ether, lead, lead-oxide, maleic-anhydride, methyl-acetate, methyl-acrylate, methyl-tert-butyl ether, methyl-cellosolve-acetate, methylcyclohexanol, 4,4'-methylenedianiline, monomethylaniline, monomethylhydrazine, nitric-oxide, p-nitroaniline, phenyl-ether, phenyl-ether-biphenyl mixture, phenyl-glycidyl-ether, phenylhydrazine, phosphine, ronnel, sulfuryl-fluoride, talc, tributyl-phosphate, 1,1,2-trichloro-1,2,2-trifluoroethane, trimellitic-anhydride, triorthocresyl-phosphate, triphenyl-phosphate, and vinyl-acetate.
Development of a simple, accurate SPME-based method for assay of VOCs in column breakthrough experiments.
Salaices Avila, Manuel Alejandro; Breiter, Roman; Mott, Henry
Solid-phase microextraction (SPME) with gas chromatography is to be used for assay of effluent liquid samples from soil column experiments associated with VOC fate/transport studies. One goal of the fate/transport studies is to develop accurate, highly reproducible column breakthrough curves for 1,2-cis-dichloroethylene (cis-DCE) and trichloroethylene (TCE) to better understand interactions with selected natural solid phases. For SPME, the influences of the sample equilibration time, extraction temperature and the ratio of volume of sample bottle to that of the liquid sample (V(T)/V(w)) are the critical factors that could influence accuracy and precision of the measured results. Equilibrium between the gas phase and liquid phase was attained after 200 min of equilibration time. The temperature must be carefully controlled due to variation of both the Henry's constant (K(h)) and the fibre/gas phase distribution coefficient (K(fg)). K(h) decreases with decreasing temperature while K(fg) increases. Low V(T)/V(w) yields better sensitivity but results in analyte losses and negative bias of the resultant assay. High V(T)/V(w) ratio yields reduced sensitivity but analyte losses were found to be minimal, leading to better accuracy and reproducibility. A fast SPME method was achieved, 5 min for SPME extraction and 3.10 min for GC analysis. A linear calibration function in the gas phase was developed to analyse the breakthrough curve data, linear between a range of 0.9-236 microgl(-1), and a detection limit lower than 5 microgl(-1).
A highly accurate method for the determination of mass and center of mass of a spacecraft
NASA Technical Reports Server (NTRS)
Chow, E. Y.; Trubert, M. R.; Egwuatu, A.
An extremely accurate method for the measurement of mass and the lateral center of mass of a spacecraft has been developed. The method was needed for the Voyager spacecraft mission requirement which limited the uncertainty in the knowledge of lateral center of mass of the spacecraft system weighing 750 kg to be less than 1.0 mm (0.04 in.). The method consists of using three load cells symmetrically located at 120 deg apart on a turntable with respect to the vertical axis of the spacecraft and making six measurements for each load cell. These six measurements are taken by cyclic rotations of the load cell turntable and of the spacecraft, about the vertical axis of the measurement fixture. This method eliminates all alignment, leveling, and load cell calibration errors for the lateral center of mass determination, and permits a statistical best fit of the measurement data. An associated data reduction computer program called MASCM has been written to implement this method and has been used for the Voyager spacecraft.
An accurate and efficient bayesian method for automatic segmentation of brain MRI.
Marroquin, J L; Vemuri, B C; Botello, S; Calderon, F; Fernandez-Bouzas, A
Automatic three-dimensional (3-D) segmentation of the brain from magnetic resonance (MR) scans is a challenging problem that has received an enormous amount of attention lately. Of the techniques reported in the literature, very few are fully automatic. In this paper, we present an efficient and accurate, fully automatic 3-D segmentation procedure for brain MR scans. It has several salient features; namely, the following. 1) Instead of a single multiplicative bias field that affects all tissue intensities, separate parametric smooth models are used for the intensity of each class. 2) A brain atlas is used in conjunction with a robust registration procedure to find a nonrigid transformation that maps the standard brain to the specimen to be segmented. This transformation is then used to: segment the brain from nonbrain tissue; compute prior probabilities for each class at each voxel location and find an appropriate automatic initialization. 3) Finally, a novel algorithm is presented which is a variant of the expectation-maximization procedure, that incorporates a fast and accurate way to find optimal segmentations, given the intensity models along with the spatial coherence assumption. Experimental results with both synthetic and real data are included, as well as comparisons of the performance of our algorithm with that of other published methods.
Accurate and automatic extrinsic calibration method for blade measurement system integrated by different optical sensors
NASA Astrophysics Data System (ADS)
He, Wantao; Li, Zhongwei; Zhong, Kai; Shi, Yusheng; Zhao, Can; Cheng, Xu
Fast and precise 3D inspection system is in great demand in modern manufacturing processes. At present, the available sensors have their own pros and cons, and hardly exist an omnipotent sensor to handle the complex inspection task in an accurate and effective way. The prevailing solution is integrating multiple sensors and taking advantages of their strengths. For obtaining a holistic 3D profile, the data from different sensors should be registrated into a coherent coordinate system. However, some complex shape objects own thin wall feather such as blades, the ICP registration method would become unstable. Therefore, it is very important to calibrate the extrinsic parameters of each sensor in the integrated measurement system. This paper proposed an accurate and automatic extrinsic parameter calibration method for blade measurement system integrated by different optical sensors. In this system, fringe projection sensor (FPS) and conoscopic holography sensor (CHS) is integrated into a multi-axis motion platform, and the sensors can be optimally move to any desired position at the object's surface. In order to simple the calibration process, a special calibration artifact is designed according to the characteristics of the two sensors. An automatic registration procedure based on correlation and segmentation is used to realize the artifact datasets obtaining by FPS and CHS rough alignment without any manual operation and data pro-processing, and then the Generalized Gauss-Markoff model is used to estimate the optimization transformation parameters. The experiments show the measurement result of a blade, where several sampled patches are merged into one point cloud, and it verifies the performance of the proposed method.
Estimating Fuel Cycle Externalities: Analytical Methods and Issues, Report 2
Barnthouse, L.W.; Cada, G.F.; Cheng, M.-D.; Easterly, C.E.; Kroodsma, R.L.; Lee, R.; Shriner, D.S.; Tolbert, V.R.; Turner, R.S.
that also have not been fully addressed. This document contains two types of papers that seek to fill part of this void. Some of the papers describe analytical methods that can be applied to one of the five steps of the damage function approach. The other papers discuss some of the complex issues that arise in trying to estimate externalities. This report, the second in a series of eight reports, is part of a joint study by the U.S. Department of Energy (DOE) and the Commission of the European Communities (EC)* on the externalities of fuel cycles. Most of the papers in this report were originally written as working papers during the initial phases of this study. The papers provide descriptions of the (non-radiological) atmospheric dispersion modeling that the study uses; reviews much of the relevant literature on ecological and health effects, and on the economic valuation of those impacts; contains several papers on some of the more complex and contentious issues in estimating externalities; and describes a method for depicting the quality of scientific information that a study uses. The analytical methods and issues that this report discusses generally pertain to more than one of the fuel cycles, though not necessarily to all of them. The report is divided into six parts, each one focusing on a different subject area.
A comparison of numerical and semi-analytical methods for the case of heat transfer equations arising in porous medium
NASA Astrophysics Data System (ADS)
Parand, K.; Rad, J. A.; Ahmadi, M.
Natural convective heat transfer in porous media which is of importance in the design of canisters for nuclear waste disposal has received considerable attention during the past few decades. This paper presents a comparison between two different analytical and numerical methods, i.e. pseudospectral and Adomian decomposition methods. The pseudospectral approach makes use of the orthogonal rational Jacobi functions; this method reduces the solution of the problem to a solution of a system of algebraic equations. Numerical results are compared with each other, showing that the pseudospectral method leads to more accurate results and is applicable on similar problems.
An Accurate Non-Cooperative Method for Measuring Textureless Spherical Target Based on Calibrated Lasers
Wang, Fei; Dong, Hang; Chen, Yanan; Zheng, Nanning
Strong demands for accurate non-cooperative target measurement have been arising recently for the tasks of assembling and capturing. Spherical objects are one of the most common targets in these applications. However, the performance of the traditional vision-based reconstruction method was limited for practical use when handling poorly-textured targets. In this paper, we propose a novel multi-sensor fusion system for measuring and reconstructing textureless non-cooperative spherical targets. Our system consists of four simple lasers and a visual camera. This paper presents a complete framework of estimating the geometric parameters of textureless spherical targets: (1) an approach to calibrate the extrinsic parameters between a camera and simple lasers; and (2) a method to reconstruct the 3D position of the laser spots on the target surface and achieve the refined results via an optimized scheme. The experiment results show that our proposed calibration method can obtain a fine calibration result, which is comparable to the state-of-the-art LRF-based methods, and our calibrated system can estimate the geometric parameters with high accuracy in real time. PMID:27941705
A novel method for accurate collagen and biochemical assessment of pulmonary tissue utilizing one animal
Kliment, Corrine R; Englert, Judson M; Crum, Lauren P; Oury, Tim D
Aim: The purpose of this study was to develop an improved method for collagen and protein assessment of fibrotic lungs while decreasing animal use. methods: 8-10 week old, male C57BL/6 mice were given a single intratracheal instillation of crocidolite asbestos or control titanium dioxide. Lungs were collected on day 14 and dried as whole lung, or homogenized in CHAPS buffer, for hydroxyproline analysis. Insoluble and salt-soluble collagen content was also determined in lung homogenates using a modified Sirius red colorimetric 96-well plate assay. results: The hydroxyproline assay showed significant increases in collagen content in the lungs of asbestos-treated mice. Identical results were present between collagen content determined on dried whole lung or whole lung homogenates. The Sirius red plate assay showed a significant increase in collagen content in lung homogenates however, this assay grossly over-estimated the total amount of collagen and underestimated changes between control and fibrotic lungs, conclusions: The proposed method provides accurate quantification of collagen content in whole lungs and additional homogenate samples for biochemical analysis from a single animal. The Sirius-red colorimetric plate assay provides a complementary method for determination of the relative changes in lung collagen but the values tend to overestimate absolute values obtained by the gold standard hydroxyproline assay and underestimate the overall fibrotic injury. PMID:21577320
An Accurate Non-Cooperative Method for Measuring Textureless Spherical Target Based on Calibrated Lasers.
Wang, Fei; Dong, Hang; Chen, Yanan; Zheng, Nanning
Strong demands for accurate non-cooperative target measurement have been arising recently for the tasks of assembling and capturing. Spherical objects are one of the most common targets in these applications. However, the performance of the traditional vision-based reconstruction method was limited for practical use when handling poorly-textured targets. In this paper, we propose a novel multi-sensor fusion system for measuring and reconstructing textureless non-cooperative spherical targets. Our system consists of four simple lasers and a visual camera. This paper presents a complete framework of estimating the geometric parameters of textureless spherical targets: (1) an approach to calibrate the extrinsic parameters between a camera and simple lasers; and (2) a method to reconstruct the 3D position of the laser spots on the target surface and achieve the refined results via an optimized scheme. The experiment results show that our proposed calibration method can obtain a fine calibration result, which is comparable to the state-of-the-art LRF-based methods, and our calibrated system can estimate the geometric parameters with high accuracy in real time.
Accurate method for the Brownian dynamics simulation of spherical particles with hard-body interactions
NASA Astrophysics Data System (ADS)
Barenbrug, Theo M. A. O. M.; Peters, E. A. J. F. (Frank); Schieber, Jay D.
In Brownian Dynamics simulations, the diffusive motion of the particles is simulated by adding random displacements, proportional to the square root of the chosen time step. When computing average quantities, these Brownian contributions usually average out, and the overall simulation error becomes proportional to the time step. A special situation arises if the particles undergo hard-body interactions that instantaneously change their properties, as in absorption or association processes, chemical reactions, etc. The common "naı̈ve simulation method" accounts for these interactions by checking for hard-body overlaps after every time step. Due to the simplification of the diffusive motion, a substantial part of the actual hard-body interactions is not detected by this method, resulting in an overall simulation error proportional to the square root of the time step. In this paper we take the hard-body interactions during the time step interval into account, using the relative positions of the particles at the beginning and at the end of the time step, as provided by the naı̈ve method, and the analytical solution for the diffusion of a point particle around an absorbing sphere. Öttinger used a similar approach for the one-dimensional case [Stochastic Processes in Polymeric Fluids (Springer, Berlin, 1996), p. 270]. We applied the "corrected simulation method" to the case of a simple, second-order chemical reaction. The results agree with recent theoretical predictions [K. Hyojoon and Joe S. Kook, Phys. Rev. E 61, 3426 (2000)]. The obtained simulation error is proportional to the time step, instead of its square root. The new method needs substantially less simulation time to obtain the same accuracy. Finally, we briefly discuss a straightforward way to extend the method for simulations of systems with additional (deterministic) forces.
Numerical system utilising a Monte Carlo calculation method for accurate dose assessment in radiation accidents.
Takahashi, F; Endo, A
A system utilising radiation transport codes has been developed to derive accurate dose distributions in a human body for radiological accidents. A suitable model is quite essential for a numerical analysis. Therefore, two tools were developed to setup a 'problem-dependent' input file, defining a radiation source and an exposed person to simulate the radiation transport in an accident with the Monte Carlo calculation codes-MCNP and MCNPX. Necessary resources are defined by a dialogue method with a generally used personal computer for both the tools. The tools prepare human body and source models described in the input file format of the employed Monte Carlo codes. The tools were validated for dose assessment in comparison with a past criticality accident and a hypothesized exposure.
Accurate description of the electronic structure of organic semiconductors by GW methods
NASA Astrophysics Data System (ADS)
Marom, Noa
Electronic properties associated with charged excitations, such as the ionization potential (IP), the electron affinity (EA), and the energy level alignment at interfaces, are critical parameters for the performance of organic electronic devices. To computationally design organic semiconductors and functional interfaces with tailored properties for target applications it is necessary to accurately predict these properties from first principles. Many-body perturbation theory is often used for this purpose within the GW approximation, where G is the one particle Green's function and W is the dynamically screened Coulomb interaction. Here, the formalism of GW methods at different levels of self-consistency is briefly introduced and some recent applications to organic semiconductors and interfaces are reviewed.
Distance scaling method for accurate prediction of slowly varying magnetic fields in satellite missions
NASA Astrophysics Data System (ADS)
Zacharias, Panagiotis P.; Chatzineofytou, Elpida G.; Spantideas, Sotirios T.; Capsalis, Christos N.
In the present work, the determination of the magnetic behavior of localized magnetic sources from near-field measurements is examined. The distance power law of the magnetic field fall-off is used in various cases to accurately predict the magnetic signature of an equipment under test (EUT) consisting of multiple alternating current (AC) magnetic sources. Therefore, parameters concerning the location of the observation points (magnetometers) are studied towards this scope. The results clearly show that these parameters are independent of the EUT's size and layout. Additionally, the techniques developed in the present study enable the placing of the magnetometers close to the EUT, thus achieving high signal-to-noise ratio (SNR). Finally, the proposed method is verified by real measurements, using a mobile phone as an EUT.
Methods to achieve accurate projection of regional and global raster databases
Usery, E. Lynn; Seong, Jeong Chang; Steinwand, Dan
Modeling regional and global activities of climatic and human-induced change requires accurate geographic data from which we can develop mathematical and statistical tabulations of attributes and properties of the environment. Many of these models depend on data formatted as raster cells or matrices of pixel values. Recently, it has been demonstrated that regional and global raster datasets are subject to significant error from mathematical projection and that these errors are of such magnitude that model results may be jeopardized (Steinwand, et al., 1995; Yang, et al., 1996; Usery and Seong, 2001; Seong and Usery, 2001). There is a need to develop methods of projection that maintain the accuracy of these datasets to support regional and global analyses and modeling
Methods for accurate analysis of galaxy clustering on non-linear scales
NASA Astrophysics Data System (ADS)
Vakili, Mohammadjavad
Measurements of galaxy clustering with the low-redshift galaxy surveys provide sensitive probe of cosmology and growth of structure. Parameter inference with galaxy clustering relies on computation of likelihood functions which requires estimation of the covariance matrix of the observables used in our analyses. Therefore, accurate estimation of the covariance matrices serves as one of the key ingredients in precise cosmological parameter inference. This requires generation of a large number of independent galaxy mock catalogs that accurately describe the statistical distribution of galaxies in a wide range of physical scales. We present a fast method based on low-resolution N-body simulations and approximate galaxy biasing technique for generating mock catalogs. Using a reference catalog that was created using the high resolution Big-MultiDark N-body simulation, we show that our method is able to produce catalogs that describe galaxy clustering at a percentage-level accuracy down to highly non-linear scales in both real-space and redshift-space.In most large-scale structure analyses, modeling of galaxy bias on non-linear scales is performed assuming a halo model. Clustering of dark matter halos has been shown to depend on halo properties beyond mass such as halo concentration, a phenomenon referred to as assembly bias. Standard large-scale structure studies assume that halo mass alone is sufficient in characterizing the connection between galaxies and halos. However, modeling of galaxy bias can face systematic effects if the number of galaxies are correlated with other halo properties. Using the Small MultiDark-Planck high resolution N-body simulation and the clustering measurements of Sloan Digital Sky Survey DR7 main galaxy sample, we investigate the extent to which the dependence of galaxy bias on halo concentration can improve our modeling of galaxy clustering.
An Inexpensive, Accurate, and Precise Wet-Mount Method for Enumerating Aquatic Viruses
Cunningham, Brady R.; Brum, Jennifer R.; Schwenck, Sarah M.; Sullivan, Matthew B.
Viruses affect biogeochemical cycling, microbial mortality, gene flow, and metabolic functions in diverse environments through infection and lysis of microorganisms. Fundamental to quantitatively investigating these roles is the determination of viral abundance in both field and laboratory samples. One current, widely used method to accomplish this with aquatic samples is the "filter mount" method, in which samples are filtered onto costly 0.02-μm-pore-size ceramic filters for enumeration of viruses by epifluorescence microscopy. Here we describe a cost-effective (ca. 500-fold-lower materials cost) alternative virus enumeration method in which fluorescently stained samples are wet mounted directly onto slides, after optional chemical flocculation of viruses in samples with viral concentrations of <5 × 107 viruses ml−1. The concentration of viruses in the sample is then determined from the ratio of viruses to a known concentration of added microsphere beads via epifluorescence microscopy. Virus concentrations obtained by using this wet-mount method, with and without chemical flocculation, were significantly correlated with, and had precision equivalent to, those obtained by the filter mount method across concentrations ranging from 2.17 × 106 to 1.37 × 108 viruses ml−1 when tested by using cultivated viral isolates and natural samples from marine and freshwater environments. In summary, the wet-mount method is significantly less expensive than the filter mount method and is appropriate for rapid, precise, and accurate enumeration of aquatic viruses over a wide range of viral concentrations (≥1 × 106 viruses ml−1) encountered in field and laboratory samples. PMID:25710369
An inexpensive, accurate, and precise wet-mount method for enumerating aquatic viruses.
Cunningham, Brady R; Brum, Jennifer R; Schwenck, Sarah M; Sullivan, Matthew B; John, Seth G
Viruses affect biogeochemical cycling, microbial mortality, gene flow, and metabolic functions in diverse environments through infection and lysis of microorganisms. Fundamental to quantitatively investigating these roles is the determination of viral abundance in both field and laboratory samples. One current, widely used method to accomplish this with aquatic samples is the "filter mount" method, in which samples are filtered onto costly 0.02-μm-pore-size ceramic filters for enumeration of viruses by epifluorescence microscopy. Here we describe a cost-effective (ca. 500-fold-lower materials cost) alternative virus enumeration method in which fluorescently stained samples are wet mounted directly onto slides, after optional chemical flocculation of viruses in samples with viral concentrations of <5×10(7) viruses ml(-1). The concentration of viruses in the sample is then determined from the ratio of viruses to a known concentration of added microsphere beads via epifluorescence microscopy. Virus concentrations obtained by using this wet-mount method, with and without chemical flocculation, were significantly correlated with, and had precision equivalent to, those obtained by the filter mount method across concentrations ranging from 2.17×10(6) to 1.37×10(8) viruses ml(-1) when tested by using cultivated viral isolates and natural samples from marine and freshwater environments. In summary, the wet-mount method is significantly less expensive than the filter mount method and is appropriate for rapid, precise, and accurate enumeration of aquatic viruses over a wide range of viral concentrations (≥1×10(6) viruses ml(-1)) encountered in field and laboratory samples.
A time-accurate finite volume method valid at all flow velocities
NASA Astrophysics Data System (ADS)
Kim, S.-W.
A finite volume method to solve the Navier-Stokes equations at all flow velocities (e.g., incompressible, subsonic, transonic, supersonic and hypersonic flows) is presented. The numerical method is based on a finite volume method that incorporates a pressure-staggered mesh and an incremental pressure equation for the conservation of mass. Comparison of three generally accepted time-advancing schemes, i.e., Simplified Marker-and-Cell (SMAC), Pressure-Implicit-Splitting of Operators (PISO), and Iterative-Time-Advancing (ITA) scheme, are made by solving a lid-driven polar cavity flow and self-sustained oscillatory flows over circular and square cylinders. Calculated results show that the ITA is the most stable numerically and yields the most accurate results. The SMAC is the most efficient computationally and is as stable as the ITA. It is shown that the PISO is the most weakly convergent and it exhibits an undesirable strong dependence on the time-step size. The degenerated numerical results obtained using the PISO are attributed to its second corrector step that cause the numerical results to deviate further from a divergence free velocity field. The accurate numerical results obtained using the ITA is attributed to its capability to resolve the nonlinearity of the Navier-Stokes equations. The present numerical method that incorporates the ITA is used to solve an unsteady transitional flow over an oscillating airfoil and a chemically reacting flow of hydrogen in a vitiated supersonic airstream. The turbulence fields in these flow cases are described using multiple-time-scale turbulence equations. For the unsteady transitional over an oscillating airfoil, the fluid flow is described using ensemble-averaged Navier-Stokes equations defined on the Lagrangian-Eulerian coordinates. It is shown that the numerical method successfully predicts the large dynamic stall vortex (DSV) and the trailing edge vortex (TEV) that are periodically generated by the oscillating airfoil
Finite analytic method based on mixed-form Richards' equation for simulating water flow in vadose zone
NASA Astrophysics Data System (ADS)
Zhang, Zaiyong; Wang, Wenke; Yeh, Tian-chyi Jim; Chen, Li; Wang, Zhoufeng; Duan, Lei; An, Kedong; Gong, Chengcheng
In this paper, we develop a finite analytic method (FAMM), which combines flexibility of numerical methods and advantages of analytical solutions, to solve the mixed-form Richards' equation. This new approach minimizes mass balance errors and truncation errors associated with most numerical approaches. We use numerical experiments to demonstrate that FAMM can obtain more accurate numerical solutions and control the global mass balance better than modified Picard finite difference method (MPFD) as compared with analytical solutions. In addition, FAMM is superior to the finite analytic method based on head-based Richards' equation (FAMH). Besides, FAMM solutions are compared to analytical solutions for wetting and drying processes in Brindabella Silty Clay Loam and Yolo Light Clay soils. Finally, we demonstrate that FAMM yields comparable results with those from MPFD and Hydrus-1D for simulating infiltration into other different soils under wet and dry conditions. These numerical experiments further confirm the fact that as long as a hydraulic constitutive model captures general behaviors of other models, it can be used to yield flow fields comparable to those based on other models.
Analytic Method to Estimate Particle Acceleration in Flux Ropes
NASA Technical Reports Server (NTRS)
Guidoni, S. E.; Karpen, J. T.; DeVore, C. R.
The mechanism that accelerates particles to the energies required to produce the observed high-energy emission in solar flares is not well understood. Drake et al. (2006) proposed a kinetic mechanism for accelerating electrons in contracting magnetic islands formed by reconnection. In this model, particles that gyrate around magnetic field lines transit from island to island, increasing their energy by Fermi acceleration in those islands that are contracting. Based on these ideas, we present an analytic model to estimate the energy gain of particles orbiting around field lines inside a flux rope (2.5D magnetic island). We calculate the change in the velocity of the particles as the flux rope evolves in time. The method assumes a simple profile for the magnetic field of the evolving island; it can be applied to any case where flux ropes are formed. In our case, the flux-rope evolution is obtained from our recent high-resolution, compressible 2.5D MHD simulations of breakout eruptive flares. The simulations allow us to resolve in detail the generation and evolution of large-scale flux ropes as a result of sporadic and patchy reconnection in the flare current sheet. Our results show that the initial energy of particles can be increased by 2-5 times in a typical contracting island, before the island reconnects with the underlying arcade. Therefore, particles need to transit only from 3-7 islands to increase their energies by two orders of magnitude. These macroscopic regions, filled with a large number of particles, may explain the large observed rates of energetic electron production in flares. We conclude that this mechanism is a promising candidate for electron acceleration in flares, but further research is needed to extend our results to 3D flare conditions.
An accurate, analytical, and technology-mapped definition of the surface potential at threshold and a new postulate for the threshold voltage of MOSFETs
NASA Astrophysics Data System (ADS)
Sarkar, Vaskar; Dutta, Aloke K.
A novel approach of defining the threshold voltage for long channel MOSFETs has been presented in this paper, where it has been proposed that it corresponds to the gate-to-source voltage for which the drift and diffusion components of the total drain current become equal to each other. In order to avoid the greater computation time associated with the numerical solution of these two components, an analytical expression of the surface potential, corresponding to the threshold condition, is given here, which has the same functional form as the one proposed by Tsividis. The fuzzy parameter n, appearing in this expression of the surface potential, is expressed as a function of the substrate doping density ( NA) and the oxide thickness ( tox). The threshold voltage values, obtained analytically from the relation between the surface potential at the threshold condition and the closed-form technology-mapped expression of the fuzzy parameter n, show an excellent match with those obtained from SILVACO simulations for a wide range of NA and tox, with the maximum error being only about 4%. The comparison of the percent error values of the threshold voltage obtained from this proposed model with those obtained from the other two recently proposed methods, all with respect to SILVACO simulation results, further verifies the validity of our completely analytical, mathematically simple, and straight-forward approach, proposed in this work here.
Conservative high-order-accurate finite-difference methods for curvilinear grids
NASA Technical Reports Server (NTRS)
Rai, Man M.; Chakrvarthy, Sukumar
Two fourth-order-accurate finite-difference methods for numerically solving hyperbolic systems of conservation equations on smooth curvilinear grids are presented. The first method uses the differential form of the conservation equations; the second method uses the integral form of the conservation equations. Modifications to these schemes, which are required near boundaries to maintain overall high-order accuracy, are discussed. An analysis that demonstrates the stability of the modified schemes is also provided. Modifications to one of the schemes to make it total variation diminishing (TVD) are also discussed. Results that demonstrate the high-order accuracy of both schemes are included in the paper. In particular, a Ringleb-flow computation demonstrates the high-order accuracy and the stability of the boundary and near-boundary procedures. A second computation of supersonic flow over a cylinder demonstrates the shock-capturing capability of the TVD methodology. An important contribution of this paper is the dear demonstration that higher order accuracy leads to increased computational efficiency.
A Method for Accurate Reconstructions of the Upper Airway Using Magnetic Resonance Images
Xiong, Huahui; Huang, Xiaoqing; Li, Yong; Li, Jianhong; Xian, Junfang; Huang, Yaqi
Objective The purpose of this study is to provide an optimized method to reconstruct the structure of the upper airway (UA) based on magnetic resonance imaging (MRI) that can faithfully show the anatomical structure with a smooth surface without artificial modifications. Methods MRI was performed on the head and neck of a healthy young male participant in the axial, coronal and sagittal planes to acquire images of the UA. The level set method was used to segment the boundary of the UA. The boundaries in the three scanning planes were registered according to the positions of crossing points and anatomical characteristics using a Matlab program. Finally, the three-dimensional (3D) NURBS (Non-Uniform Rational B-Splines) surface of the UA was constructed using the registered boundaries in all three different planes. Results A smooth 3D structure of the UA was constructed, which captured the anatomical features from the three anatomical planes, particularly the location of the anterior wall of the nasopharynx. The volume and area of every cross section of the UA can be calculated from the constructed 3D model of UA. Conclusions A complete scheme of reconstruction of the UA was proposed, which can be used to measure and evaluate the 3D upper airway accurately. PMID:26066461
Extracting accurate strain measurements in bone mechanics: A critical review of current methods.
Grassi, Lorenzo; Isaksson, Hanna
Osteoporosis related fractures are a social burden that advocates for more accurate fracture prediction methods. Mechanistic methods, e.g. finite element models, have been proposed as a tool to better predict bone mechanical behaviour and strength. However, there is little consensus about the optimal constitutive law to describe bone as a material. Extracting reliable and relevant strain data from experimental tests is of fundamental importance to better understand bone mechanical properties, and to validate numerical models. Several techniques have been used to measure strain in experimental mechanics, with substantial differences in terms of accuracy, precision, time- and length-scale. Each technique presents upsides and downsides that must be carefully evaluated when designing the experiment. Moreover, additional complexities are often encountered when applying such strain measurement techniques to bone, due to its complex composite structure. This review of literature examined the four most commonly adopted methods for strain measurements (strain gauges, fibre Bragg grating sensors, digital image correlation, and digital volume correlation), with a focus on studies with bone as a substrate material, at the organ and tissue level. For each of them the working principles, a summary of the main applications to bone mechanics at the organ- and tissue-level, and a list of pros and cons are provided.
A fast, accurate, and reliable reconstruction method of the lumbar spine vertebrae using positional MRI.
Simons, Craig J; Cobb, Loren; Davidson, Bradley S
In vivo measurement of lumbar spine configuration is useful for constructing quantitative biomechanical models. Positional magnetic resonance imaging (MRI) accommodates a larger range of movement in most joints than conventional MRI and does not require a supine position. However, this is achieved at the expense of image resolution and contrast. As a result, quantitative research using positional MRI has required long reconstruction times and is sensitive to incorrectly identifying the vertebral boundary due to low contrast between bone and surrounding tissue in the images. We present a semi-automated method used to obtain digitized reconstructions of lumbar vertebrae in any posture of interest. This method combines a high-resolution reference scan with a low-resolution postural scan to provide a detailed and accurate representation of the vertebrae in the posture of interest. Compared to a criterion standard, translational reconstruction error ranged from 0.7 to 1.6 mm and rotational reconstruction error ranged from 0.3 to 2.6°. Intraclass correlation coefficients indicated high interrater reliability for measurements within the imaging plane (ICC 0.97-0.99). Computational efficiency indicates that this method may be used to compile data sets large enough to account for population variance, and potentially expand the use of positional MRI as a quantitative biomechanics research tool.
Simple and accurate methods for quantifying deformation, disruption, and development in biological tissues
Boyle, John J.; Kume, Maiko; Wyczalkowski, Matthew A.; Taber, Larry A.; Pless, Robert B.; Xia, Younan; Genin, Guy M.; Thomopoulos, Stavros
When mechanical factors underlie growth, development, disease or healing, they often function through local regions of tissue where deformation is highly concentrated. Current optical techniques to estimate deformation can lack precision and accuracy in such regions due to challenges in distinguishing a region of concentrated deformation from an error in displacement tracking. Here, we present a simple and general technique for improving the accuracy and precision of strain estimation and an associated technique for distinguishing a concentrated deformation from a tracking error. The strain estimation technique improves accuracy relative to other state-of-the-art algorithms by directly estimating strain fields without first estimating displacements, resulting in a very simple method and low computational cost. The technique for identifying local elevation of strain enables for the first time the successful identification of the onset and consequences of local strain concentrating features such as cracks and tears in a highly strained tissue. We apply these new techniques to demonstrate a novel hypothesis in prenatal wound healing. More generally, the analytical methods we have developed provide a simple tool for quantifying the appearance and magnitude of localized deformation from a series of digital images across a broad range of disciplines. PMID:25165601
An automatic method for fast and accurate liver segmentation in CT images using a shape detection level set method
NASA Astrophysics Data System (ADS)
Lee, Jeongjin; Kim, Namkug; Lee, Ho; Seo, Joon Beom; Won, Hyung Jin; Shin, Yong Moon; Shin, Yeong Gil
Automatic liver segmentation is still a challenging task due to the ambiguity of liver boundary and the complex context of nearby organs. In this paper, we propose a faster and more accurate way of liver segmentation in CT images with an enhanced level set method. The speed image for level-set propagation is smoothly generated by increasing number of iterations in anisotropic diffusion filtering. This prevents the level-set propagation from stopping in front of local minima, which prevails in liver CT images due to irregular intensity distributions of the interior liver region. The curvature term of shape modeling level-set method captures well the shape variations of the liver along the slice. Finally, rolling ball algorithm is applied for including enhanced vessels near the liver boundary. Our approach are tested and compared to manual segmentation results of eight CT scans with 5mm slice distance using the average distance and volume error. The average distance error between corresponding liver boundaries is 1.58 mm and the average volume error is 2.2%. The average processing time for the segmentation of each slice is 5.2 seconds, which is much faster than the conventional ones. Accurate and fast result of our method will expedite the next stage of liver volume quantification for liver transplantations.
Accurate, precise, and efficient theoretical methods to calculate anion-π interaction energies in model structures.
Mezei, Pál D; Csonka, Gábor I; Ruzsinszky, Adrienn; Sun, Jianwei
A correct description of the anion-π interaction is essential for the design of selective anion receptors and channels and important for advances in the field of supramolecular chemistry. However, it is challenging to do accurate, precise, and efficient calculations of this interaction, which are lacking in the literature. In this article, by testing sets of 20 binary anion-π complexes of fluoride, chloride, bromide, nitrate, or carbonate ions with hexafluorobenzene, 1,3,5-trifluorobenzene, 2,4,6-trifluoro-1,3,5-triazine, or 1,3,5-triazine and 30 ternary π-anion-π' sandwich complexes composed from the same monomers, we suggest domain-based local-pair natural orbital coupled cluster energies extrapolated to the complete basis-set limit as reference values. We give a detailed explanation of the origin of anion-π interactions, using the permanent quadrupole moments, static dipole polarizabilities, and electrostatic potential maps. We use symmetry-adapted perturbation theory (SAPT) to calculate the components of the anion-π interaction energies. We examine the performance of the direct random phase approximation (dRPA), the second-order screened exchange (SOSEX), local-pair natural-orbital (LPNO) coupled electron pair approximation (CEPA), and several dispersion-corrected density functionals (including generalized gradient approximation (GGA), meta-GGA, and double hybrid density functional). The LPNO-CEPA/1 results show the best agreement with the reference results. The dRPA method is only slightly less accurate and precise than the LPNO-CEPA/1, but it is considerably more efficient (6-17 times faster) for the binary complexes studied in this paper. For 30 ternary π-anion-π' sandwich complexes, we give dRPA interaction energies as reference values. The double hybrid functionals are much more efficient but less accurate and precise than dRPA. The dispersion-corrected double hybrid PWPB95-D3(BJ) and B2PLYP-D3(BJ) functionals perform better than the GGA and meta
A Monte Carlo Method for Making the SDSS u-Band Magnitude More Accurate
NASA Astrophysics Data System (ADS)
Gu, Jiayin; Du, Cuihua; Zuo, Wenbo; Jing, Yingjie; Wu, Zhenyu; Ma, Jun; Zhou, Xu
We develop a new Monte Carlo-based method to convert the Sloan Digital Sky Survey (SDSS) u-band magnitude to the south Galactic Cap of the u-band Sky Survey (SCUSS) u-band magnitude. Due to the increased accuracy of SCUSS u-band measurements, the converted u-band magnitude becomes more accurate compared with the original SDSS u-band magnitude, in particular at the faint end. The average u-magnitude error (for both SDSS and SCUSS) of numerous main-sequence stars with 0.2\\lt g-r\\lt 0.8 increases as the g-band magnitude becomes fainter. When g = 19.5, the average magnitude error of the SDSS u is 0.11. When g = 20.5, the average SDSS u error rises to 0.22. However, at this magnitude, the average magnitude error of the SCUSS u is just half as much as that of the SDSS u. The SDSS u-band magnitudes of main-sequence stars with 0.2\\lt g-r\\lt 0.8 and 18.5\\lt g\\lt 20.5 are converted, therefore the maximum average error of the converted u-band magnitudes is 0.11. The potential application of this conversion is to derive a more accurate photometric metallicity calibration from SDSS observations, especially for the more distant stars. Thus, we can explore stellar metallicity distributions either in the Galactic halo or some stream stars.
A Weight-Averaged Interpolation Method for Coupling Time-Accurate Rarefied and Continuum Flows
NASA Astrophysics Data System (ADS)
Diaz, Steven William
A novel approach to coupling rarefied and continuum flow regimes as a single, hybrid model is introduced. The method borrows from techniques used in the simulation of spray flows to interpolate Lagrangian point-particles onto an Eulerian grid in a weight-averaged sense. A brief overview of traditional methods for modeling both rarefied and continuum domains is given, and a review of the literature regarding rarefied/continuum flow coupling is presented. Details of the theoretical development of the method of weighted interpolation are then described. The method evaluates macroscopic properties at the nodes of a CFD grid via the weighted interpolation of all simulated molecules in a set surrounding the node. The weight factor applied to each simulated molecule is the inverse of the linear distance between it and the given node. During development, the method was applied to several preliminary cases, including supersonic flow over an airfoil, subsonic flow over tandem airfoils, and supersonic flow over a backward facing step; all at low Knudsen numbers. The main thrust of the research centered on the time-accurate expansion of a rocket plume into a near-vacuum. The method proves flexible enough to be used with various flow solvers, demonstrated by the use of Fluent as the continuum solver for the preliminary cases and a NASA-developed Large Eddy Simulation research code, WRLES, for the full lunar model. The method is applicable to a wide range of Mach numbers and is completely grid independent, allowing the rarefied and continuum solvers to be optimized for their respective domains without consideration of the other. The work presented demonstrates the validity, and flexibility of the method of weighted interpolation as a novel concept in the field of hybrid flow coupling. The method marks a significant divergence from current practices in the coupling of rarefied and continuum flow domains and offers a kernel on which to base an ongoing field of research. It has the
Evaluation of proposed sampling and analytical methods for carbonaceous hazardous air pollutants for the Clean Coal Technology Program
Mazurek, M.A.; Hildemann, L.M.
At present, no single stack sampling protocol (EPA5, MEPA5, REPA5, and dilution sampling methods) is adequate for evaluating completely stack gas emissions that will be tested as part of the CCTP. REPA5 yields emissions data for organic compounds that are not representative of the physical or chemical composition of the aerosol. As an alternative method, dilution sampling of stack gases produces more accurate particle phase organic emissions data, but does not furnish information on volatile organics. A synthesis of the dilution sampling method and REPA5 sampling and analytical technologies will produce the high quality stack emissions data needed for future CCTP programs.
A time-accurate adaptive grid method and the numerical simulation of a shock-vortex interaction
NASA Technical Reports Server (NTRS)
Bockelie, Michael J.; Eiseman, Peter R.
A time accurate, general purpose, adaptive grid method is developed that is suitable for multidimensional steady and unsteady numerical simulations. The grid point movement is performed in a manner that generates smooth grids which resolve the severe solution gradients and the sharp transitions in the solution gradients. The temporal coupling of the adaptive grid and the PDE solver is performed with a grid prediction correction method that is simple to implement and ensures the time accuracy of the grid. Time accurate solutions of the 2-D Euler equations for an unsteady shock vortex interaction demonstrate the ability of the adaptive method to accurately adapt the grid to multiple solution features.
Adaptive and accurate color edge extraction method for one-shot shape acquisition
NASA Astrophysics Data System (ADS)
Yin, Wei; Cheng, Xiaosheng; Cui, Haihua; Li, Dawei; Zhou, Lei
This paper presents an approach to extract accurate color edge information using encoded patterns in hue, saturation, and intensity (HSI) color space. This method is applied to one-shot shape acquisition. Theoretical analysis shows that the hue transition between primary and secondary colors in a color edge is based on light interference and diffraction. We set up a color transition model to illustrate the hue transition on an edge and then define the segmenting position of two stripes. By setting up an adaptive HSI color space, the colors of the stripes and subpixel edges are obtained precisely without a dark laboratory environment, in a low-cost processing algorithm. Since this method does not have any constraints for colors of neighboring stripes, the encoding is an easy procedure. The experimental results show that the edges of dense modulation patterns can be obtained under a complicated environment illumination, and the precision can ensure that the three-dimensional shape of the object is obtained reliably with only one image.
Efficient and Accurate Multiple-Phenotype Regression Method for High Dimensional Data Considering Population Structure.
Joo, Jong Wha J; Kang, Eun Yong; Org, Elin; Furlotte, Nick; Parks, Brian; Hormozdiari, Farhad; Lusis, Aldons J; Eskin, Eleazar
A typical genome-wide association study tests correlation between a single phenotype and each genotype one at a time. However, single-phenotype analysis might miss unmeasured aspects of complex biological networks. Analyzing many phenotypes simultaneously may increase the power to capture these unmeasured aspects and detect more variants. Several multivariate approaches aim to detect variants related to more than one phenotype, but these current approaches do not consider the effects of population structure. As a result, these approaches may result in a significant amount of false positive identifications. Here, we introduce a new methodology, referred to as GAMMA for generalized analysis of molecular variance for mixed-model analysis, which is capable of simultaneously analyzing many phenotypes and correcting for population structure. In a simulated study using data implanted with true genetic effects, GAMMA accurately identifies these true effects without producing false positives induced by population structure. In simulations with this data, GAMMA is an improvement over other methods which either fail to detect true effects or produce many false positive identifications. We further apply our method to genetic studies of yeast and gut microbiome from mice and show that GAMMA identifies several variants that are likely to have true biological mechanisms.
An Accurate Method for Measuring Airplane-Borne Conformal Antenna's Radar Cross Section
NASA Astrophysics Data System (ADS)
Guo, Shuxia; Zhang, Lei; Wang, Yafeng; Hu, Chufeng
The airplane-borne conformal antenna attaches itself tightly with the airplane skin, so the conventional measurement method cannot determine the contribution of the airplane-borne conformal antenna to its radar cross section (RCS). This paper uses the 2D microwave imaging to isolate and extract the distribution of the reflectivity of the airplane-borne conformal antenna. It obtains the 2D spatial spectra of the conformal antenna through the wave spectral transform between the 2D spatial image and the 2D spatial spectrum. After the interpolation from the rectangular coordinate domain to the polar coordinate domain, the spectral domain data for the variation of the scatter of the conformal antenna with frequency and angle is obtained. The experimental results show that the measurement method proposed in this paper greatly enhances the airplane-borne conformal antenna's RCS measurement accuracy, essentially eliminates the influences caused by the airplane skin and more accurately reveals the airplane-borne conformal antenna's RCS scatter properties.
MASCG: Multi-Atlas Segmentation Constrained Graph method for accurate segmentation of hip CT images.
Chu, Chengwen; Bai, Junjie; Wu, Xiaodong; Zheng, Guoyan
This paper addresses the issue of fully automatic segmentation of a hip CT image with the goal to preserve the joint structure for clinical applications in hip disease diagnosis and treatment. For this purpose, we propose a Multi-Atlas Segmentation Constrained Graph (MASCG) method. The MASCG method uses multi-atlas based mesh fusion results to initialize a bone sheetness based multi-label graph cut for an accurate hip CT segmentation which has the inherent advantage of automatic separation of the pelvic region from the bilateral proximal femoral regions. We then introduce a graph cut constrained graph search algorithm to further improve the segmentation accuracy around the bilateral hip joint regions. Taking manual segmentation as the ground truth, we evaluated the present approach on 30 hip CT images (60 hips) with a 15-fold cross validation. When the present approach was compared to manual segmentation, an average surface distance error of 0.30 mm, 0.29 mm, and 0.30 mm was found for the pelvis, the left proximal femur, and the right proximal femur, respectively. A further look at the bilateral hip joint regions demonstrated an average surface distance error of 0.16 mm, 0.21 mm and 0.20 mm for the acetabulum, the left femoral head, and the right femoral head, respectively.
Accurate computation of surface stresses and forces with immersed boundary methods
NASA Astrophysics Data System (ADS)
Goza, Andres; Liska, Sebastian; Morley, Benjamin; Colonius, Tim
Many immersed boundary methods solve for surface stresses that impose the velocity boundary conditions on an immersed body. These surface stresses may contain spurious oscillations that make them ill-suited for representing the physical surface stresses on the body. Moreover, these inaccurate stresses often lead to unphysical oscillations in the history of integrated surface forces such as the coefficient of lift. While the errors in the surface stresses and forces do not necessarily affect the convergence of the velocity field, it is desirable, especially in fluid-structure interaction problems, to obtain smooth and convergent stress distributions on the surface. To this end, we show that the equation for the surface stresses is an integral equation of the first kind whose ill-posedness is the source of spurious oscillations in the stresses. We also demonstrate that for sufficiently smooth delta functions, the oscillations may be filtered out to obtain physically accurate surface stresses. The filtering is applied as a post-processing procedure, so that the convergence of the velocity field is unaffected. We demonstrate the efficacy of the method by computing stresses and forces that converge to the physical stresses and forces for several test problems.
A spectral element method with adaptive segmentation for accurately simulating extracellular electrical stimulation of neurons.
Eiber, Calvin D; Dokos, Socrates; Lovell, Nigel H; Suaning, Gregg J
The capacity to quickly and accurately simulate extracellular stimulation of neurons is essential to the design of next-generation neural prostheses. Existing platforms for simulating neurons are largely based on finite-difference techniques; due to the complex geometries involved, the more powerful spectral or differential quadrature techniques cannot be applied directly. This paper presents a mathematical basis for the application of a spectral element method to the problem of simulating the extracellular stimulation of retinal neurons, which is readily extensible to neural fibers of any kind. The activating function formalism is extended to arbitrary neuron geometries, and a segmentation method to guarantee an appropriate choice of collocation points is presented. Differential quadrature may then be applied to efficiently solve the resulting cable equations. The capacity for this model to simulate action potentials propagating through branching structures and to predict minimum extracellular stimulation thresholds for individual neurons is demonstrated. The presented model is validated against published values for extracellular stimulation threshold and conduction velocity for realistic physiological parameter values. This model suggests that convoluted axon geometries are more readily activated by extracellular stimulation than linear axon geometries, which may have ramifications for the design of neural prostheses.
Methods for accurate cold-chain temperature monitoring using digital data-logger thermometers
NASA Astrophysics Data System (ADS)
Chojnacky, M. J.; Miller, W. M.; Strouse, G. F.
Complete and accurate records of vaccine temperature history are vital to preserving drug potency and patient safety. However, previously published vaccine storage and handling guidelines have failed to indicate a need for continuous temperature monitoring in vaccine storage refrigerators. We evaluated the performance of seven digital data logger models as candidates for continuous temperature monitoring of refrigerated vaccines, based on the following criteria: out-of-box performance and compliance with manufacturer accuracy specifications over the range of use; measurement stability over extended, continuous use; proper setup in a vaccine storage refrigerator so that measurements reflect liquid vaccine temperatures; and practical methods for end-user validation and establishing metrological traceability. Data loggers were tested using ice melting point checks and by comparison to calibrated thermocouples to characterize performance over 0 °C to 10 °C. We also monitored logger performance in a study designed to replicate the range of vaccine storage and environmental conditions encountered at provider offices. Based on the results of this study, the Centers for Disease Control released new guidelines on proper methods for storage, handling, and temperature monitoring of vaccines for participants in its federally-funded Vaccines for Children Program. Improved temperature monitoring practices will ultimately decrease waste from damaged vaccines, improve consumer confidence, and increase effective inoculation rates.
New Distributed Multipole Methods for Accurate Electrostatics for Large-Scale Biomolecular Simultations
NASA Astrophysics Data System (ADS)
Sagui, Celeste
An accurate and numerically efficient treatment of electrostatics is essential for biomolecular simulations, as this stabilizes much of the delicate 3-d structure associated with biomolecules. Currently, force fields such as AMBER and CHARMM assign ``partial charges'' to every atom in a simulation in order to model the interatomic electrostatic forces, so that the calculation of the electrostatics rapidly becomes the computational bottleneck in large-scale simulations. There are two main issues associated with the current treatment of classical electrostatics: (i) how does one eliminate the artifacts associated with the point-charges (e.g., the underdetermined nature of the current RESP fitting procedure for large, flexible molecules) used in the force fields in a physically meaningful way? (ii) how does one efficiently simulate the very costly long-range electrostatic interactions? Recently, we have dealt with both of these challenges as follows. In order to improve the description of the molecular electrostatic potentials (MEPs), a new distributed multipole analysis based on localized functions -- Wannier, Boys, and Edminston-Ruedenberg -- was introduced, which allows for a first principles calculation of the partial charges and multipoles. Through a suitable generalization of the particle mesh Ewald (PME) and multigrid method, one can treat electrostatic multipoles all the way to hexadecapoles all without prohibitive extra costs. The importance of these methods for large-scale simulations will be discussed, and examplified by simulations from polarizable DNA models.
Obtaining accurate amounts of mercury from mercury compounds via electrolytic methods
Grossman, Mark W.; George, William A.
A process for obtaining pre-determined, accurate rate amounts of mercury. In one embodiment, predetermined, precise amounts of Hg are separated from HgO and plated onto a cathode wire. The method for doing this involves dissolving a precise amount of HgO which corresponds to a pre-determined amount of Hg desired in an electrolyte solution comprised of glacial acetic acid and H.sub.2 O. The mercuric ions are then electrolytically reduced and plated onto a cathode producing the required pre-determined quantity of Hg. In another embodiment, pre-determined, precise amounts of Hg are obtained from Hg.sub.2 Cl.sub.2. The method for doing this involves dissolving a precise amount of Hg.sub.2 Cl.sub.2 in an electrolyte solution comprised of concentrated HCl and H.sub.2 O. The mercurous ions in solution are then electrolytically reduced and plated onto a cathode wire producing the required, pre-determined quantity of Hg.
Obtaining accurate amounts of mercury from mercury compounds via electrolytic methods
Grossman, M.W.; George, W.A.
A process is described for obtaining pre-determined, accurate rate amounts of mercury. In one embodiment, predetermined, precise amounts of Hg are separated from HgO and plated onto a cathode wire. The method for doing this involves dissolving a precise amount of HgO which corresponds to a pre-determined amount of Hg desired in an electrolyte solution comprised of glacial acetic acid and H[sub 2]O. The mercuric ions are then electrolytically reduced and plated onto a cathode producing the required pre-determined quantity of Hg. In another embodiment, pre-determined, precise amounts of Hg are obtained from Hg[sub 2]Cl[sub 2]. The method for doing this involves dissolving a precise amount of Hg[sub 2]Cl[sub 2] in an electrolyte solution comprised of concentrated HCl and H[sub 2]O. The mercurous ions in solution are then electrolytically reduced and plated onto a cathode wire producing the required, pre-determined quantity of Hg. 1 fig.
Open lung biopsy: a safe, reliable and accurate method for diagnosis in diffuse lung disease.
Shah, S S; Tsang, V; Goldstraw, P
The ideal method for obtaining lung tissue for diagnosis should provide high diagnostic yield with low morbidity and mortality. We reviewed all 432 patients (mean age 55 years) who underwent an open lung biopsy at this hospital over a 10-year period. Twenty-four patients (5.5%) were immunocompromised. One hundred and twenty-five patients were on steroid therapy at the time of operation. Open lung biopsy provided a firm diagnosis in 410 cases overall (94.9%) and in 20 out of 24 patients in the immunocompromised group (83.3%). The commonest diagnosis was cryptogenic fibrosing alveolitis (173 patients). Twenty-two patients (5.1%) suffered complications following the procedure: wound infection 11 patients, pneumothorax 9 patients and haemothorax 1 patient. Thirteen patients (3.0%) died following open lung biopsy, but in only 1 patient was the death attributable to the procedure itself. We conclude that open lung biopsy is an accurate and safe method for establishing a diagnosis in diffuse lung disease with a high yield and minimal risk.
Analytical method for determining the location of ionospheric and atmospheric layers from radio occultation data
NASA Astrophysics Data System (ADS)
Pavelyev, A. G.; Zhang, K.; Wang, C. S.; Liou, Y. A.; Kuleshov, Yu.
We generalize the fundamental principle of the radio-occultation method for studying the atmospheres and ionospheres of planets and the Earth. The criterion containing the necessary and sufficient condition under which the tangential point, at which the refractive-index gradient is normal to the ray trajectory coincides with the radio-ray perigee, is obtained. The method for determining the location and parameters of ionospheric and ionospheric layers, which is based on the relationship between the amplitudes and phases of the analytic functions determined from variations in the phase path (eikonal) and intensity of the radio-occultation signal, is proposed. This method yields qualitative and quantitative estimations of the value of the spatial displacement of the ionospheric or ionospheric layer with respect to the radio-ray perigee and allows one to determine the altitude and inclination of the ionospheric layer. The developed method is, in particular, required for determining the location and inclination of the wind-shear region and the direction of propagation of internal waves in the ionosphere and the atmosphere. This method is simpler and more accurate than the back-propagation, radio-holographic method which was previously used for determining the location of the ionospheric irregularities.
Accurate gradient approximation for complex interface problems in 3D by an improved coupling interface method
Shu, Yu-Chen; Chern, I-Liang; Chang, Chien C.
Most elliptic interface solvers become complicated for complex interface problems at those "exceptional points" where there are not enough neighboring interior points for high order interpolation. Such complication increases especially in three dimensions. Usually, the solvers are thus reduced to low order accuracy. In this paper, we classify these exceptional points and propose two recipes to maintain order of accuracy there, aiming at improving the previous coupling interface method [26]. Yet the idea is also applicable to other interface solvers. The main idea is to have at least first order approximations for second order derivatives at those exceptional points. Recipe 1 is to use the finite difference approximation for the second order derivatives at a nearby interior grid point, whenever this is possible. Recipe 2 is to flip domain signatures and introduce a ghost state so that a second-order method can be applied. This ghost state is a smooth extension of the solution at the exceptional point from the other side of the interface. The original state is recovered by a post-processing using nearby states and jump conditions. The choice of recipes is determined by a classification scheme of the exceptional points. The method renders the solution and its gradient uniformly second-order accurate in the entire computed domain. Numerical examples are provided to illustrate the second order accuracy of the presently proposed method in approximating the gradients of the original states for some complex interfaces which we had tested previous in two and three dimensions, and a real molecule ( (1D63)) which is double-helix shape and composed of hundreds of atoms.
Methods for accurate estimation of net discharge in a tidal channel
Simpson, M.R.; Bland, R.
Accurate estimates of net residual discharge in tidally affected rivers and estuaries are possible because of recently developed ultrasonic discharge measurement techniques. Previous discharge estimates using conventional mechanical current meters and methods based on stage/discharge relations or water slope measurements often yielded errors that were as great as or greater than the computed residual discharge. Ultrasonic measurement methods consist of: 1) the use of ultrasonic instruments for the measurement of a representative 'index' velocity used for in situ estimation of mean water velocity and 2) the use of the acoustic Doppler current discharge measurement system to calibrate the index velocity measurement data. Methods used to calibrate (rate) the index velocity to the channel velocity measured using the Acoustic Doppler Current Profiler are the most critical factors affecting the accuracy of net discharge estimation. The index velocity first must be related to mean channel velocity and then used to calculate instantaneous channel discharge. Finally, discharge is low-pass filtered to remove the effects of the tides. An ultrasonic velocity meter discharge-measurement site in a tidally affected region of the Sacramento-San Joaquin Rivers was used to study the accuracy of the index velocity calibration procedure. Calibration data consisting of ultrasonic velocity meter index velocity and concurrent acoustic Doppler discharge measurement data were collected during three time periods. Two sets of data were collected during a spring tide (monthly maximum tidal current) and one of data collected during a neap tide (monthly minimum tidal current). The relative magnitude of instrumental errors, acoustic Doppler discharge measurement errors, and calibration errors were evaluated. Calibration error was found to be the most significant source of error in estimating net discharge. Using a comprehensive calibration method, net discharge estimates developed from the three
Microorganisms as Analytical Indicators. Experimental Methods and Techniques,
analytic indicators: gram- negative and gram-positive sporiferous and nonsporiferous bacteria, yeasts, mycelial fungi, and actinomycetes (Refs. 4, 6-8...growing species of microorganisms, the cultivation period is appropriately increased. This factor is less important for actinomycetes , fungi and sporiferous
A New Method for Accurate Treatment of Flow Equations in Cylindrical Coordinates Using Series Expansions
NASA Technical Reports Server (NTRS)
Constantinescu, G.S.; Lele, S. K.
The motivation of this work is the ongoing effort at the Center for Turbulence Research (CTR) to use large eddy simulation (LES) techniques to calculate the noise radiated by jet engines. The focus on engine exhaust noise reduction is motivated by the fact that a significant reduction has been achieved over the last decade on the other main sources of acoustic emissions of jet engines, such as the fan and turbomachinery noise, which gives increased priority to jet noise. To be able to propose methods to reduce the jet noise based on results of numerical simulations, one first has to be able to accurately predict the spatio-temporal distribution of the noise sources in the jet. Though a great deal of understanding of the fundamental turbulence mechanisms in high-speed jets was obtained from direct numerical simulations (DNS) at low Reynolds numbers, LES seems to be the only realistic available tool to obtain the necessary near-field information that is required to estimate the acoustic radiation of the turbulent compressible engine exhaust jets. The quality of jet-noise predictions is determined by the accuracy of the numerical method that has to capture the wide range of pressure fluctuations associated with the turbulence in the jet and with the resulting radiated noise, and by the boundary condition treatment and the quality of the mesh. Higher Reynolds numbers and coarser grids put in turn a higher burden on the robustness and accuracy of the numerical method used in this kind of jet LES simulations. As these calculations are often done in cylindrical coordinates, one of the most important requirements for the numerical method is to provide a flow solution that is not contaminated by numerical artifacts. The coordinate singularity is known to be a source of such artifacts. In the present work we use 6th order Pade schemes in the non-periodic directions to discretize the full compressible flow equations. It turns out that the quality of jet-noise predictions
Laser: a Tool for Optimization and Enhancement of Analytical Methods
Preisler, Jan
In this work, we use lasers to enhance possibilities of laser desorption methods and to optimize coating procedure for capillary electrophoresis (CE). We use several different instrumental arrangements to characterize matrix-assisted laser desorption (MALD) at atmospheric pressure and in vacuum. In imaging mode, 488-nm argon-ion laser beam is deflected by two acousto-optic deflectors to scan plumes desorbed at atmospheric pressure via absorption. All absorbing species, including neutral molecules, are monitored. Interesting features, e.g. differences between the initial plume and subsequent plumes desorbed from the same spot, or the formation of two plumes from one laser shot are observed. Total plume absorbance can be correlated with the acoustic signal generated by the desorption event. A model equation for the plume velocity as a function of time is proposed. Alternatively, the use of a static laser beam for observation enables reliable determination of plume velocities even when they are very high. Static scattering detection reveals negative influence of particle spallation on MS signal. Ion formation during MALD was monitored using 193-nm light to photodissociate a portion of insulin ion plume. These results define the optimal conditions for desorbing analytes from matrices, as opposed to achieving a compromise between efficient desorption and efficient ionization as is practiced in mass spectrometry. In CE experiment, we examined changes in a poly(ethylene oxide) (PEO) coating by continuously monitoring the electroosmotic flow (EOF) in a fused-silica capillary during electrophoresis. An imaging CCD camera was used to follow the motion of a fluorescent neutral marker zone along the length of the capillary excited by 488-nm Ar-ion laser. The PEO coating was shown to reduce the velocity of EOF by more than an order of magnitude compared to a bare capillary at pH 7.0. The coating protocol was important, especially at an intermediate pH of 7.7. The increase of p
A new and consistent parameter for measuring the quality of multivariate analytical methods: Generalized analytical sensitivity.
Fragoso, Wallace; Allegrini, Franco; Olivieri, Alejandro C
Generalized analytical sensitivity (γ) is proposed as a new figure of merit, which can be estimated from a multivariate calibration data set. It can be confidently applied to compare different calibration methodologies, and helps to solve literature inconsistencies on the relationship between classical sensitivity and prediction error. In contrast to the classical plain sensitivity, γ incorporates the noise properties in its definition, and its inverse is well correlated with root mean square errors of prediction in the presence of general noise structures. The proposal is supported by studying simulated and experimental first-order multivariate calibration systems with various models, namely multiple linear regression, principal component regression (PCR) and maximum likelihood PCR (MLPCR). The simulations included instrumental noise of different types: independently and identically distributed (iid), correlated (pink) and proportional noise, while the experimental data carried noise which is clearly non-iid.
Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid
NASA Astrophysics Data System (ADS)
Papp, P.; Matejčík, Š.; Mach, P.; Urban, J.; Paidarová, I.; Horáček, J.
The method of analytic continuation in the coupling constant (ACCC) in combination with use of the statistical Padé approximation is applied to the determination of resonance energy and width of some amino acids and formic acid dimer. Standard quantum chemistry codes provide accurate data which can be used for analytic continuation in the coupling constant to obtain the resonance energy and width of organic molecules with a good accuracy. The obtained results are compared with the existing experimental ones.
Hanford environmental analytical methods: Methods as of March 1990. Volume 3, Appendix A2-I
Goheen, S.C.; McCulloch, M.; Daniel, J.L.
This paper from the analytical laboratories at Hanford describes the method used to measure pH of single-shell tank core samples. Sludge or solid samples are mixed with deionized water. The pH electrode used combines both a sensor and reference electrode in one unit. The meter amplifies the input signal from the electrode and displays the pH visually.
Selection of reference standard during method development using the analytical hierarchy process.
Sun, Wan-yang; Tong, Ling; Li, Dong-xiang; Huang, Jing-yi; Zhou, Shui-ping; Sun, Henry; Bi, Kai-shun
Reference standard is critical for ensuring reliable and accurate method performance. One important issue is how to select the ideal one from the alternatives. Unlike the optimization of parameters, the criteria of the reference standard are always immeasurable. The aim of this paper is to recommend a quantitative approach for the selection of reference standard during method development based on the analytical hierarchy process (AHP) as a decision-making tool. Six alternative single reference standards were assessed in quantitative analysis of six phenolic acids from Salvia Miltiorrhiza and its preparations by using ultra-performance liquid chromatography. The AHP model simultaneously considered six criteria related to reference standard characteristics and method performance, containing feasibility to obtain, abundance in samples, chemical stability, accuracy, precision and robustness. The priority of each alternative was calculated using standard AHP analysis method. The results showed that protocatechuic aldehyde is the ideal reference standard, and rosmarinic acid is about 79.8% ability as the second choice. The determination results successfully verified the evaluation ability of this model. The AHP allowed us comprehensive considering the benefits and risks of the alternatives. It was an effective and practical tool for optimization of reference standards during method development.
Quantification of camalexin, a phytoalexin from Arabidopsis thaliana: a comparison of five analytical methods.
Beets, Caryn; Dubery, Ian
Camalexin is a phytoalexin of Arabidopsis thaliana and an important component of inducible defenses. Accurate quantification of low concentrations suffers from interference by structurally related metabolites. A. thaliana plants were induced with silver nitrate and camalexin was extracted using methanol and identified and quantified by (i) TLC as a blue fluorescent band, (ii) microtiter plate-based fluorescence spectroscopy, (iii) GC on a midpolar column coupled to flame ionization detection, (iv) C(18) HPLC coupled to a photodiode detector, and (v) UPLC coupled to a mass spectrometer detector. Standard curves over the range of 0.1-15 μg ml(-1) gave R(2) values from 0.996 to 0.999. The different methods were compared and evaluated for their ability to detect and quantify increasing concentrations (<0.4-8 μgg(-1) FW) of camalexin. Each of the techniques presented advantages and disadvantages with regard to accuracy, precision, interference, analytical sensitivity, and limits of detection. TLC is a good qualitative technique for the identification of camalexin and fluorescence spectroscopy is subject to quenching when performed on crude extracts. Comparable results were obtained with GC-FID, HPLC-PDA, and UPLC-MS, with UPLC-MS having the added advantage of short analysis times and detection based on accurate mass.
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules: A Benchmark of GW Methods
NASA Astrophysics Data System (ADS)
Marom, Noa; Knight, Joseph; Wang, Xiaopeng; Gallandi, Lukas; Dolgounitcheva, Olga; Ren, Xinguo; Ortiz, Vincent; Rinke, Patrick; Korzdorfer, Thomas
The performance of different GW methods is assessed for a set of 24 organic acceptors. Errors are evaluated with respect to coupled cluster singles, doubles, perturbative triples [CCSD(T)] reference data for the vertical ionization potentials (IPs) and electron affinities (EAs), extrapolated to the complete basis set limit. Additional comparisons are made to experimental data, where available. We consider fully self-consistent GW (scGW), partial self-consistency in the Green's function (scGW0) , non-self-consistent G0W0 based on several mean-field starting points, and a ``beyond GW'' second order screened exchange (SOSEX) correction to G0W0. The best performers overall are G0W0 + SOSEX and G0W0 based on an IP-tuned long range corrected hybrid functional with the former being more accurate for EAs and the latter for IPs. Both provide a balanced treatment of localized vs. delocalized states and valence spectra in good agreement with photoemission spectroscopy (PES) experiments.
Wear characteristics of UHMW polyethylene: a method for accurately measuring extremely low wear rates.
McKellop, H; Clarke, I C; Markolf, K L; Amstutz, H C
The wear of UHMW polyethylene bearing against 316 stainless steel or cobalt chrome alloy was measured using a 12-channel wear tester especially developed for the evaluation of candidate materials for prosthetic joints. The coefficient of friction and wear rate was determined as a function of lubricant, contact stress, and metallic surface roughness in tests lasting two to three million cycles, the equivalent of several years' use of a prosthesis. Wear was determined from the weight loss of the polyethylene specimens corrected for the effect of fluid absorption. The friction and wear processes in blood serum differed markedly from those in saline solution or distilled water. Only serum lubrication produced wear surfaces resembling those observed on removed prostheses. The experimental method provided a very accurate reproducible measurement of polyethylene wear. The long-term wear rates were proportional to load and sliding distance and were much lower than expected from previously published data. Although the polyethylene wear rate increased with increasing surface roughness, wear was not severe except with very coarse metal surfaces. The data obtained in these studies forms a basis for the subsequent comparative evaluation of potentially superior materials for prosthetic joints.
Method for accurate sizing of pulmonary vessels from 3D medical images
NASA Astrophysics Data System (ADS)
O'Dell, Walter G.
Detailed characterization of vascular anatomy, in particular the quantification of changes in the distribution of vessel sizes and of vascular pruning, is essential for the diagnosis and management of a variety of pulmonary vascular diseases and for the care of cancer survivors who have received radiation to the thorax. Clinical estimates of vessel radii are typically based on setting a pixel intensity threshold and counting how many "On" pixels are present across the vessel cross-section. A more objective approach introduced recently involves fitting the image with a library of spherical Gaussian filters and utilizing the size of the best matching filter as the estimate of vessel diameter. However, both these approaches have significant accuracy limitations including mis-match between a Gaussian intensity distribution and that of real vessels. Here we introduce and demonstrate a novel approach for accurate vessel sizing using 3D appearance models of a tubular structure along a curvilinear trajectory in 3D space. The vessel branch trajectories are represented with cubic Hermite splines and the tubular branch surfaces represented as a finite element surface mesh. An iterative parameter adjustment scheme is employed to optimally match the appearance models to a patient's chest X-ray computed tomography (CT) scan to generate estimates for branch radii and trajectories with subpixel resolution. The method is demonstrated on pulmonary vasculature in an adult human CT scan, and on 2D simulated test cases.
Utility perspective on USEPA analytical methods program redirection
Koch, B.; Davis, M.K.; Krasner, S.W.
The Metropolitan Water District of Southern California (Metropolitan) is a public, municipal corporation, created by the State of California, which wholesales supplemental water trough 27 member agencies (cities and water districts). Metropolitan serves nearly 16 million people in an area along the coastal plain of Southern California that covers approximately 5200 square miles. Water deliveries have averaged up to 2.5 million acre-feet per year. Metropolitan`s Water Quality Laboratory (WQL) conducts compliance monitoring of its source and finished drinking waters for chemical and microbial constituents. The laboratory maintains certification of a large number and variety of analytical procedures. The WQL operates in a 17,000-square-foot facility. The equipment is state-of-the-art analytical instrumentation. The staff consists of 40 professional chemists and microbiologists whose experience and expertise are extensive and often highly specialized. The staff turnover is very low, and the laboratory is consistently, efficiently, and expertly run.
TH-C-BRD-02: Analytical Modeling and Dose Calculation Method for Asymmetric Proton Pencil Beams
Gelover, E; Wang, D; Hill, P; Flynn, R; Hyer, D
Purpose: A dynamic collimation system (DCS), which consists of two pairs of orthogonal trimmer blades driven by linear motors has been proposed to decrease the lateral penumbra in pencil beam scanning proton therapy. The DCS reduces lateral penumbra by intercepting the proton pencil beam near the lateral boundary of the target in the beam's eye view. The resultant trimmed pencil beams are asymmetric and laterally shifted, and therefore existing pencil beam dose calculation algorithms are not capable of trimmed beam dose calculations. This work develops a method to model and compute dose from trimmed pencil beams when using the DCS. Methods: MCNPX simulations were used to determine the dose distributions expected from various trimmer configurations using the DCS. Using these data, the lateral distribution for individual beamlets was modeled with a 2D asymmetric Gaussian function. The integral depth dose (IDD) of each configuration was also modeled by combining the IDD of an untrimmed pencil beam with a linear correction factor. The convolution of these two terms, along with the Highland approximation to account for lateral growth of the beam along the depth direction, allows a trimmed pencil beam dose distribution to be analytically generated. The algorithm was validated by computing dose for a single energy layer 5×5 cm{sup 2} treatment field, defined by the trimmers, using both the proposed method and MCNPX beamlets. Results: The Gaussian modeled asymmetric lateral profiles along the principal axes match the MCNPX data very well (R{sup 2}≥0.95 at the depth of the Bragg peak). For the 5×5 cm{sup 2} treatment plan created with both the modeled and MCNPX pencil beams, the passing rate of the 3D gamma test was 98% using a standard threshold of 3%/3 mm. Conclusion: An analytical method capable of accurately computing asymmetric pencil beam dose when using the DCS has been developed.
Sonoluminescence Spectroscopy as a Promising New Analytical Method
NASA Astrophysics Data System (ADS)
Yurchenko, O. I.; Kalinenko, O. S.; Baklanov, A. N.; Belov, E. A.; Baklanova, L. V.
The sonoluminescence intensity of Cs, Ru, K, Na, Li, Sr, In, Ga, Ca, Th, Cr, Pb, Mn, Ag, and Mg salts in aqueous solutions of various concentrations was investigated as a function of ultrasound frequency and intensity. Techniques for the determination of these elements in solutions of table salt and their own salts were developed. It was shown that the proposed analytical technique gave results at high concentrations with better metrological characteristics than atomic-absorption spectroscopy because the samples were not diluted.
Computational and Analytical Methods in Nonlinear Fluid Dynamics
boundary layer and, skin friction and heat transfer coefficients are determined through matching to the analytic embedded functions. Through use of...further to develop simple turbulence models which can predict skin friction and heat transfer coefficients . The study of He et al. (1992) reports the...governing one of the flows listed above: it uncouples from the second set which, essentially, is linear with coefficients that are determined by the primary
An analytic method for sensitivity analysis of complex systems
NASA Astrophysics Data System (ADS)
Zhu, Yueying; Wang, Qiuping Alexandre; Li, Wei; Cai, Xu
Sensitivity analysis is concerned with understanding how the model output depends on uncertainties (variances) in inputs and identifying which inputs are important in contributing to the prediction imprecision. Uncertainty determination in output is the most crucial step in sensitivity analysis. In the present paper, an analytic expression, which can exactly evaluate the uncertainty in output as a function of the output's derivatives and inputs' central moments, is firstly deduced for general multivariate models with given relationship between output and inputs in terms of Taylor series expansion. A γ-order relative uncertainty for output, denoted by Rvγ, is introduced to quantify the contributions of input uncertainty of different orders. On this basis, it is shown that the widely used approximation considering the first order contribution from the variance of input variable can satisfactorily express the output uncertainty only when the input variance is very small or the input-output function is almost linear. Two applications of the analytic formula are performed to the power grid and economic systems where the sensitivities of both actual power output and Economic Order Quantity models are analyzed. The importance of each input variable in response to the model output is quantified by the analytic formula.
Method for Operating a Sensor to Differentiate Between Analytes in a Sample
Kunt, Tekin; Cavicchi, Richard E; Semancik, Stephen; McAvoy, Thomas J
Disclosed is a method for operating a sensor to differentiate between first and second analytes in a sample. The method comprises the steps of determining a input profile for the sensor which will enhance the difference in the output profiles of the sensor as between the first analyte and the second analyte; determining a first analyte output profile as observed when the input profile is applied to the sensor; determining a second analyte output profile as observed when the temperature profile is applied to the sensor; introducing the sensor to the sample while applying the temperature profile to the sensor, thereby obtaining a sample output profile; and evaluating the sample output profile as against the first and second analyte output profiles to thereby determine which of the analytes is present in the sample.
Fast, accurate and easy-to-pipeline methods for amplicon sequence processing
NASA Astrophysics Data System (ADS)
Antonielli, Livio; Sessitsch, Angela
Next generation sequencing (NGS) technologies established since years as an essential resource in microbiology. While on the one hand metagenomic studies can benefit from the continuously increasing throughput of the Illumina (Solexa) technology, on the other hand the spreading of third generation sequencing technologies (PacBio, Oxford Nanopore) are getting whole genome sequencing beyond the assembly of fragmented draft genomes, making it now possible to finish bacterial genomes even without short read correction. Besides (meta)genomic analysis next-gen amplicon sequencing is still fundamental for microbial studies. Amplicon sequencing of the 16S rRNA gene and ITS (Internal Transcribed Spacer) remains a well-established widespread method for a multitude of different purposes concerning the identification and comparison of archaeal/bacterial (16S rRNA gene) and fungal (ITS) communities occurring in diverse environments. Numerous different pipelines have been developed in order to process NGS-derived amplicon sequences, among which Mothur, QIIME and USEARCH are the most well-known and cited ones. The entire process from initial raw sequence data through read error correction, paired-end read assembly, primer stripping, quality filtering, clustering, OTU taxonomic classification and BIOM table rarefaction as well as alternative "normalization" methods will be addressed. An effective and accurate strategy will be presented using the state-of-the-art bioinformatic tools and the example of a straightforward one-script pipeline for 16S rRNA gene or ITS MiSeq amplicon sequencing will be provided. Finally, instructions on how to automatically retrieve nucleotide sequences from NCBI and therefore apply the pipeline to targets other than 16S rRNA gene (Greengenes, SILVA) and ITS (UNITE) will be discussed.
An automated, fast and accurate registration method to link stranded seeds in permanent prostate implants
NASA Astrophysics Data System (ADS)
Westendorp, Hendrik; Nuver, Tonnis T.; Moerland, Marinus A.; Minken, André W.
The geometry of a permanent prostate implant varies over time. Seeds can migrate and edema of the prostate affects the position of seeds. Seed movements directly influence dosimetry which relates to treatment quality. We present a method that tracks all individual seeds over time allowing quantification of seed movements. This linking procedure was tested on transrectal ultrasound (TRUS) and cone-beam CT (CBCT) datasets of 699 patients. These datasets were acquired intraoperatively during a dynamic implantation procedure, that combines both imaging modalities. The procedure was subdivided in four automatic linking steps. (I) The Hungarian Algorithm was applied to initially link seeds in CBCT and the corresponding TRUS datasets. (II) Strands were identified and optimized based on curvature and linefits: non optimal links were removed. (III) The positions of unlinked seeds were reviewed and were linked to incomplete strands if within curvature- and distance-thresholds. (IV) Finally, seeds close to strands were linked, also if the curvature-threshold was violated. After linking the seeds an affine transformation was applied. The procedure was repeated until the results were stable or the 6th iteration ended. All results were visually reviewed for mismatches and uncertainties. Eleven implants showed a mismatch and in 12 cases an uncertainty was identified. On average the linking procedure took 42 ms per case. This accurate and fast method has the potential to be used for other time spans, like Day 30, and other imaging modalities. It can potentially be used during a dynamic implantation procedure to faster and better evaluate the quality of the permanent prostate implant.
Efficient Inversion in Underwater Acoustics with Analytic, Iterative and Sequential Bayesian Methods
Award Number: N000141310077 Category of research: shallow water acoustics LONG TERM GOALS The long term goal of this project is to develop...efficient inversion algorithms for successful geoacoustic parameter estimation, inversion for sound-speed in the water -column, and source localization...acoustic field and optimization . The potential of analytic approaches is also investigated. OBJECTIVES • Achieve accurate and computationally
An accurate method for microanalysis of carbon monoxide in putrid postmortem blood by head-space gas chromatography-mass spectrometry (HS/GC/MS).
Hao, Hongxia; Zhou, Hong; Liu, Xiaopei; Zhang, Zhong; Yu, Zhongshan
Carbon monoxide (CO) may be the cause of more than half the fatal poisonings reported in many countries, with some of these cases under-reported or misdiagnosed by medical professionals. Therefore, an accurate and reliable analytical method to measure blood carboxyhemoglobin level (COHb%), in the 1% to lethal range, is essential for correct diagnosis. Herein a method was established, i.e. head-space gas chromatography-mass spectrometry (HS/GC/MS) that has numerous advantages over other techniques, such as UV spectrometry, for determination of COHb%. There was a linear relationship (R(2)=0. 9995) between the peak area for CO and the COHb% in blood. Using a molecular sieve-packed column, CO levels in the air down to 0.01% and COHb% levels in small blood samples down to 0.2% could be quantitated rapidly and accurately. Furthermore, this method showed good reproducibility with a relative standard deviation for COHb% of <1%. Therefore, this technique provides an accurate and reliable method for determining CO and COHb% levels and may prove useful for investigation of deaths potentially related to CO exposure.
Evaluating water management strategies in watersheds by new hybrid Fuzzy Analytical Network Process (FANP) methods
NASA Astrophysics Data System (ADS)
RazaviToosi, S. L.; Samani, J. M. V.
Watersheds are considered as hydrological units. Their other important aspects such as economic, social and environmental functions play crucial roles in sustainable development. The objective of this work is to develop methodologies to prioritize watersheds by considering different development strategies in environmental, social and economic sectors. This ranking could play a significant role in management to assign the most critical watersheds where by employing water management strategies, best condition changes are expected to be accomplished. Due to complex relations among different criteria, two new hybrid fuzzy ANP (Analytical Network Process) algorithms, fuzzy TOPSIS (Technique for Order Preference by Similarity to Ideal Solution) and fuzzy max-min set methods are used to provide more flexible and accurate decision model. Five watersheds in Iran named Oroomeyeh, Atrak, Sefidrood, Namak and Zayandehrood are considered as alternatives. Based on long term development goals, 38 water management strategies are defined as subcriteria in 10 clusters. The main advantage of the proposed methods is its ability to overcome uncertainty. This task is accomplished by using fuzzy numbers in all steps of the algorithms. To validate the proposed method, the final results were compared with those obtained from the ANP algorithm and the Spearman rank correlation coefficient is applied to find the similarity in the different ranking methods. Finally, the sensitivity analysis was conducted to investigate the influence of cluster weights on the final ranking.
Determination of Slope Safety Factor with Analytical Solution and Searching Critical Slip Surface with Genetic-Traversal Random Method
In the current practice, to determine the safety factor of a slope with two-dimensional circular potential failure surface, one of the searching methods for the critical slip surface is Genetic Algorithm (GA), while the method to calculate the slope safety factor is Fellenius' slices method. However GA needs to be validated with more numeric tests, while Fellenius' slices method is just an approximate method like finite element method. This paper proposed a new method to determine the minimum slope safety factor which is the determination of slope safety factor with analytical solution and searching critical slip surface with Genetic-Traversal Random Method. The analytical solution is more accurate than Fellenius' slices method. The Genetic-Traversal Random Method uses random pick to utilize mutation. A computer automatic search program is developed for the Genetic-Traversal Random Method. After comparison with other methods like slope/w software, results indicate that the Genetic-Traversal Random Search Method can give very low safety factor which is about half of the other methods. However the obtained minimum safety factor with Genetic-Traversal Random Search Method is very close to the lower bound solutions of slope safety factor given by the Ansys software. PMID:24782679
Analytic method for spin transfer matrix in presence of snakes
Tepikian, S.
Large accelerators can be made spin transparent using Siberian snakes. However, the number of snakes required is yet to be determined. An algorithm for finding the spin transfer matrix analytically is developed. This is applied to find the cos /sub p/ for the case involving 6 snakes in two different configurations. This is in contrast to R. Ruth's approach who found that the number of snakes is proportional to absolute value of epsilonS, where epsilon is the depolarizing resonance strength. Half the trace of the spin precession matrix with 6 equally spaced snakes is found analytically for two configurations. The first configuration involves alternating snakes with precession axes of +45 and -45 while the second configuration are alternating +75 and -75 as proposed by K. Steffen. Then the largest resonance strength absolute value of epsilon such that absolute value of cos /sub p/ less than or equal to less than or equal to 1 is determined. Finally, a comparison with tracking studies is made.
Historically, analytical methods for determination of pesticides in foods have been developed in support of regulatory programs and are specific to food items or food groups. Most of the available methods have been developed, tested and validated for relatively few analytes an...
Analytical methods for selected emerging contaminants in human matrices-a review.
Dirtu, Alin C; Van den Eede, Nele; Malarvannan, Govindan; Ionas, Alin C; Covaci, Adrian
Emerging contaminants are a broad category of chemicals, previously unknown or unrecognized as being of concern, but which, because of their potential health effects associated with human exposure, are under increasing scrutiny. To accurately measure their levels in biological matrices, specific and sensitive analytical methods have recently been developed. We have reviewed here the methods used for analysis of selected emerging organic contaminants, for example metabolites of organophosphate triesters, metabolites of new phthalates or phthalate substitutes, perchlorate, organic UV filters, and polycyclic siloxanes, in human matrices. Although the use of new techniques and approaches has been emphasized, we also acknowledge methods previously used for other contaminants and adapted for the emerging contaminants listed above. In all cases, chromatography and mass spectrometry were the techniques of choice, because of their selectivity and sensitivity for measurements at ng g(-1) levels. Critical issues and challenges have been discussed, together with recommendations for further improvement in particular cases (e.g. metabolites of phthalates or their substitutes). In particular, the use of labeled internal standards, the availability of certified reference materials, and the need for interlaboratory comparison exercises are key aspects of further development of this field of research.
Field evaluation of a sampling and analytical method for environmental levels of airborne hexavalent chromium.
Sheehan, P; Ricks, R; Ripple, S; Paustenbach, D
Hexavalent chromium, Cr(VI), has been classified as a human respiratory carcinogen. Airborne Cr(VI) emissions are associated with a number of industrial sources including metal plating, tanning, chromite ore processing, and spray painting operations; combustion sources such as automobiles and incinerators; and fugitive dusts from contaminated soil. There has been considerable interest within industry and the regulatory community to assess the potential cancer risks of workers exposed to Cr(VI) at levels substantially below the threshold limit value (TLV) of 50 micrograms/m3. To date, only the workplace sampling and analytical method (National Institute for Occupational Safety and Health [NIOSH] Method 7600) has been validated for measuring airborne Cr(VI), and it can accurately measure concentrations only as low as 500 ng/m3. This paper describes the field evaluation of a sampling and analytical method for the quantitation of airborne Cr(VI) at concentrations 5000 times lower than the current standard method (as low as 0.1 ng/m3). The collection method uses three 500-mL Greenberg-Smith impingers in series, operated at 15 Lpm for 24 hr. All three impingers are filled with 200 mL of a slightly alkaline (pH approximately 8) sodium bicarbonate buffer solution. The results of validation tests showed that both Cr(VI) and trivalent chromium, Cr(III), were stable in the collection medium and that samples may be stored for up to 100 days without appreciable loss of Cr(VI). Method precision based on the pooled coefficient of variation for replicate samples was 10.4%, and method accuracy based on the mean percent recovery of spiked samples was 94%. Both the precision and accuracy of the impinger method were within NIOSH criteria. This method could be used to measure ambient concentrations of Cr(VI) in the workplace caused by fugitive emissions from manufacturing processes or chromium-contaminated soils at workplace concentrations well below the current TLV (50 micrograms/m3
Simple and accessible analytical methods for the determination of mercury in soil and coal samples.
Park, Chul Hee; Eom, Yujin; Lee, Lauren Jong-Eun; Lee, Tai Gyu
Simple and accessible analytical methods compared to conventional methods such as US EPA Method 7471B and ASTM-D6414 for the determination of mercury (Hg) in soil and coal samples are proposed. The new methods are consisted of fewer steps without the Hg oxidizing step consequently eliminating a step necessary to reduce excess oxidant. In the proposed methods, a Hg extraction is an inexpensive and accessible step utilizing a disposable test tube and a heating block instead of an expensive autoclave vessel and a specially-designed microwave. Also, a common laboratory vacuum filtration was used for the extracts instead of centrifugation. As for the optimal conditions, first, best acids for extracting Hg from soil and coal samples was investigated using certified reference materials (CRMs). Among common laboratory acids (HCl, HNO3, H2SO4, and aqua regia), aqua regia was most effective for the soil CRM whereas HNO3 was for the coal CRM. Next, the optimal heating temperature and time for Hg extraction were evaluated. The most effective Hg extraction was obtained at 120°C for 30min for soil CRM and at 70°C for 90min for coal CRM. Further tests using selected CRMs showed that all the measured values were within the allowable certification range. Finally, actual soil and coal samples were analyzed using the new methods and the US EPA Method 7473. The relative standard deviation values of 1.71-6.55% for soil and 0.97-12.11% for coal samples were obtained proving that the proposed methods were not only simple and accessible but also accurate.
Collision-induced fragmentation accurate mass spectrometric analysis methods to rapidly characterize plant extracts
Technology Transfer Automated Retrieval System (TEKTRAN)
The rapid advances in analytical chromatography equipment have made the reliable and reproducible measurement of a wide range of plant chemical components possible. Full chemical characterization of a given plant material is possible with the new mass spectrometers currently available. However, th...
Collision-induced fragmentation accurate mass spectrometric analysis methods to rapidly characterize plant extracts
Technology Transfer Automated Retrieval System (TEKTRAN)
The rapid advances in analytical chromatography equipment have made the reliable and reproducible measurement of a wide range of plant chemical components possible. Full chemical characterization of a given plant material is possible with the new mass spectrometers currently available. For phytochem...
Validation of analytical methods involved in dissolution assays: acceptance limits and decision methodologies.
Rozet, E; Ziemons, E; Marini, R D; Boulanger, B; Hubert, Ph
Dissolution tests are key elements to ensure continuing product quality and performance. The ultimate goal of these tests is to assure consistent product quality within a defined set of specification criteria. Validation of an analytical method aimed at assessing the dissolution profile of products or at verifying pharmacopoeias compliance should demonstrate that this analytical method is able to correctly declare two dissolution profiles as similar or drug products as compliant with respect to their specifications. It is essential to ensure that these analytical methods are fit for their purpose. Method validation is aimed at providing this guarantee. However, even in the ICHQ2 guideline there is no information explaining how to decide whether the method under validation is valid for its final purpose or not. Are the entire validation criterion needed to ensure that a Quality Control (QC) analytical method for dissolution test is valid? What acceptance limits should be set on these criteria? How to decide about method's validity? These are the questions that this work aims at answering. Focus is made to comply with the current implementation of the Quality by Design (QbD) principles in the pharmaceutical industry in order to allow to correctly defining the Analytical Target Profile (ATP) of analytical methods involved in dissolution tests. Analytical method validation is then the natural demonstration that the developed methods are fit for their intended purpose and is not any more the inconsiderate checklist validation approach still generally performed to complete the filing required to obtain product marketing authorization.
Comparison of methods for the estimation of measurement uncertainty for an analytical method for sulphonamides.
Dabalus Islam, M; Schweikert Turcu, M; Cannavan, A
A simple and inexpensive liquid chromatographic method for the determination of seven sulphonamides in animal tissues was validated. The measurement uncertainty of the method was estimated using two approaches: a 'top-down' approach based on in-house validation data, which used either repeatability data or intra-laboratory reproducibility; and a 'bottom-up' approach, which included repeatability data from spiking experiments. The decision limits (CCalpha) applied in the European Union were calculated for comparison. The bottom-up approach was used to identify critical steps in the analytical procedure, which comprised extraction, concentration, hexane-wash and HPLC-UV analysis. Six replicates of porcine kidney were fortified at the maximum residue limit (100 microg kg(-1)) at three different stages of the analytical procedure, extraction, evaporation, and final wash/HPLC analysis, to provide repeatability data for each step. The uncertainties of the gravimetric and volumetric measurements were estimated and integrated in the calculation of the total combined uncertainties by the bottom-up approach. Estimates for systematic error components were included in both approaches. Combined uncertainty estimates for the seven compounds using the 'top-down' approach ranged from 7.9 to 12.5% (using reproducibility) and from 5.4 to 9.5% (using repeatability data) and from 5.1 to 9.0% using the bottom-up approach. CCalpha values ranged from 105.6 to 108.5 microg kg(-1). The major contributor to the combined uncertainty for each analyte was identified as the extraction step. Since there was no statistical difference between the uncertainty values obtained by either approach, the analyst would be justified in applying the 'top-down' estimation using method validation data, rather than performing additional experiments to obtain uncertainty data.
40 CFR 141.852 - Analytical methods and laboratory certification.
Code of Federal Regulations, 2013 CFR
... modified Colitag® Test 2 Escherichia coli Escherichia coli Procedure (following Lactose Fermentation Methods) EC-MUG medium Standard Methods 9221 F.1 (20th ed.; 21st ed.) 2 Escherichia coli Partition Method... the Coliform Group," F.1, "Escherichia coli Procedure: EC-MUG medium." (G) Standard Methods...
40 CFR 141.852 - Analytical methods and laboratory certification.
Code of Federal Regulations, 2014 CFR
...® Test 2 Escherichia coli Escherichia coli Procedure (following Lactose Fermentation Methods) EC-MUG medium Standard Methods 9221 F.1 (20th ed.; 21st ed.) 2 Escherichia coli Partition Method EC broth with... the Coliform Group," F.1, "Escherichia coli Procedure: EC-MUG medium." (G) Standard Methods...
Accurate measurement method of Fabry-Perot cavity parameters via optical transfer function
Bondu, Francois; Debieu, Olivier
It is shown how the transfer function from frequency noise to a Pound-Drever-Hall signal for a Fabry-Perot cavity can be used to accurately measure cavity length, cavity linewidth, mirror curvature, misalignments, laser beam shape mismatching with resonant beam shape, and cavity impedance mismatching with respect to vacuum.
A time-accurate implicit method for chemical non-equilibrium flows at all speeds
NASA Technical Reports Server (NTRS)
Shuen, Jian-Shun
A new time accurate coupled solution procedure for solving the chemical non-equilibrium Navier-Stokes equations over a wide range of Mach numbers is described. The scheme is shown to be very efficient and robust for flows with velocities ranging from M less than or equal to 10(exp -10) to supersonic speeds.
Analytical methods for gelatin differentiation from bovine and porcine origins and food products.
Nhari, Raja Mohd Hafidz Raja; Ismail, Amin; Che Man, Yaakob B
Usage of gelatin in food products has been widely debated for several years, which is about the source of gelatin that has been used, religion, and health. As an impact, various analytical methods have been introduced and developed to differentiate gelatin whether it is made from porcine or bovine sources. The analytical methods comprise a diverse range of equipment and techniques including spectroscopy, chemical precipitation, chromatography, and immunochemical. Each technique can differentiate gelatins for certain extent with advantages and limitations. This review is focused on overview of the analytical methods available for differentiation of bovine and porcine gelatin and gelatin in food products so that new method development can be established.
CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES: An Accurate Image Simulation Method for High-Order Laue Zone Effects
NASA Astrophysics Data System (ADS)
Cai, Can-Ying; Zeng, Song-Jun; Liu, Hong-Rong; Yang, Qi-Bin
A completely different formulation for simulation of the high order Laue zone (HOLZ) diffractions is derived. It refers to the new method, i.e. the Taylor series (TS) method. To check the validity and accuracy of the TS method, we take polyvinglidene fluoride (PVDF) crystal as an example to calculate the exit wavefunction by the conventional multi-slice (CMS) method and the TS method. The calculated results show that the TS method is much more accurate than the CMS method and is independent of the slice thicknesses. Moreover, the pure first order Laue zone wavefunction by the TS method can reflect the major potential distribution of the first reciprocal plane.
Analytic solution for Telegraph equation by differential transform method
NASA Astrophysics Data System (ADS)
Biazar, J.; Eslami, M.
In this article differential transform method (DTM) is considered to solve Telegraph equation. This method is a powerful tool for solving large amount of problems (Zhou (1986) [1], Chen and Ho (1999) [2], Jang et al. (2001) [3], Kangalgil and Ayaz (2009) [4], Ravi Kanth and Aruna (2009) [5], Arikoglu and Ozkol (2007) [6]). Using differential transform method, it is possible to find the exact solution or a closed approximate solution of an equation. To illustrate the ability and reliability of the method some examples are provided. The results reveal that the method is very effective and simple.
Application of the correlation constrained multivariate curve resolution alternating least-squares method for analyte quantitation in the presence of unexpected interferences using first-order instrumental data.
Goicoechea, Héctor C; Olivieri, Alejandro C; Tauler, Romà
Correlation constrained multivariate curve resolution-alternating least-squares is shown to be a feasible method for processing first-order instrumental data and achieve analyte quantitation in the presence of unexpected interferences. Both for simulated and experimental data sets, the proposed method could correctly retrieve the analyte and interference spectral profiles and perform accurate estimations of analyte concentrations in test samples. Since no information concerning the interferences was present in calibration samples, the proposed multivariate calibration approach including the correlation constraint facilitates the achievement of the so-called second-order advantage for the analyte of interest, which is known to be present for more complex higher-order richer instrumental data. The proposed method is tested using a simulated data set and two experimental data systems, one for the determination of ascorbic acid in powder juices using UV-visible absorption spectral data, and another for the determination of tetracycline in serum samples using fluorescence emission spectroscopy.
Rapid, cost-effective and accurate quantification of Yucca schidigera Roezl. steroidal saponins using HPLC-ELSD method.
Tenon, Mathieu; Feuillère, Nicolas; Roller, Marc; Birtić, Simona
Yucca GRAS-labelled saponins have been and are increasingly used in food/feed, pharmaceutical or cosmetic industries. Existing techniques presently used for Yucca steroidal saponin quantification remain either inaccurate and misleading or accurate but time consuming and cost prohibitive. The method reported here addresses all of the above challenges. HPLC/ELSD technique is an accurate and reliable method that yields results of appropriate repeatability and reproducibility. This method does not over- or under-estimate levels of steroidal saponins. HPLC/ELSD method does not require each and every pure standard of saponins, to quantify the group of steroidal saponins. The method is a time- and cost-effective technique that is suitable for routine industrial analyses. HPLC/ELSD methods yield a saponin fingerprints specific to the plant species. As the method is capable of distinguishing saponin profiles from taxonomically distant species, it can unravel plant adulteration issues.
Device and method for accurately measuring concentrations of airborne transuranic isotopes
McIsaac, C.V.; Killian, E.W.; Grafwallner, E.G.; Kynaston, R.L.; Johnson, L.O.; Randolph, P.D.
An alpha continuous air monitor (CAM) with two silicon alpha detectors and three sample collection filters is described. This alpha CAM design provides continuous sampling and also measures the cumulative transuranic (TRU), i.e., plutonium and americium, activity on the filter, and thus provides a more accurate measurement of airborne TRU concentrations than can be accomplished using a single fixed sample collection filter and a single silicon alpha detector. 7 figs.
Device and method for accurately measuring concentrations of airborne transuranic isotopes
McIsaac, Charles V.; Killian, E. Wayne; Grafwallner, Ervin G.; Kynaston, Ronnie L.; Johnson, Larry O.; Randolph, Peter D.
An alpha continuous air monitor (CAM) with two silicon alpha detectors and three sample collection filters is described. This alpha CAM design provides continuous sampling and also measures the cumulative transuranic (TRU), i.e., plutonium and americium, activity on the filter, and thus provides a more accurate measurement of airborne TRU concentrations than can be accomplished using a single fixed sample collection filter and a single silicon alpha detector.
The Role of Analytic Methods in Computational Aeroacoustics
NASA Technical Reports Server (NTRS)
Farassat, F.; Posey, J. W.
As air traffic grows, annoyance produced by aircraft noise will grow unless new aircraft produce no objectionable noise outside airport boundaries. Such ultra-quiet aircraft must be of revolutionary design, having unconventional planforms and most likely with propulsion systems highly integrated with the airframe. Sophisticated source and propagation modeling will be required to properly account for effects of the airframe on noise generation, reflection, scattering, and radiation. It is tempting to say that since all the effects are included in the Navier-Stokes equations, time-accurate CFD can provide all the answers. Unfortunately, the computational time required to solve a full aircraft noise problem will be prohibitive for many years to come. On the other hand, closed form solutions are not available for such complicated problems. Therefore, a hybrid approach is recommended in which analysis is taken as far as possible without omitting relevant physics or geometry. Three examples are given of recently reported work in broadband noise prediction, ducted fan noise propagation and radiation, and noise prediction for complex three-dimensional jets.
Tank 48H Waste Composition and Results of Investigation of Analytical Methods
Walker , D.D.
This report serves two purposes. First, it documents the analytical results of Tank 48H samples taken between April and August 1996. Second, it describes investigations of the precision of the sampling and analytical methods used on the Tank 48H samples.
Application of an analytical method for solution of thermal hydraulic conservation equations
Fakory, M.R.
An analytical method has been developed and applied for solution of two-phase flow conservation equations. The test results for application of the model for simulation of BWR transients are presented and compared with the results obtained from application of the explicit method for integration of conservation equations. The test results show that with application of the analytical method for integration of conservation equations, the Courant limitation associated with explicit Euler method of integration was eliminated. The results obtained from application of the analytical method (with large time steps) agreed well with the results obtained from application of explicit method of integration (with time steps smaller than the size imposed by Courant limitation). The results demonstrate that application of the analytical approach significantly improves the numerical stability and computational efficiency.
Comparison of analytical and predictive methods for water, protein, fat, sugar, and gross energy in marine mammal milk.
Oftedal, O T; Eisert, R; Barrell, G K
Mammalian milks may differ greatly in composition from cow milk, and these differences may affect the performance of analytical methods. High-fat, high-protein milks with a preponderance of oligosaccharides, such as those produced by many marine mammals, present a particular challenge. We compared the performance of several methods against reference procedures using Weddell seal (Leptonychotes weddellii) milk of highly varied composition (by reference methods: 27-63% water, 24-62% fat, 8-12% crude protein, 0.5-1.8% sugar). A microdrying step preparatory to carbon-hydrogen-nitrogen (CHN) gas analysis slightly underestimated water content and had a higher repeatability relative standard deviation (RSDr) than did reference oven drying at 100°C. Compared with a reference macro-Kjeldahl protein procedure, the CHN (or Dumas) combustion method had a somewhat higher RSDr (1.56 vs. 0.60%) but correlation between methods was high (0.992), means were not different (CHN: 17.2±0.46% dry matter basis; Kjeldahl 17.3±0.49% dry matter basis), there were no significant proportional or constant errors, and predictive performance was high. A carbon stoichiometric procedure based on CHN analysis failed to adequately predict fat (reference: Röse-Gottlieb method) or total sugar (reference: phenol-sulfuric acid method). Gross energy content, calculated from energetic factors and results from reference methods for fat, protein, and total sugar, accurately predicted gross energy as measured by bomb calorimetry. We conclude that the CHN (Dumas) combustion method and calculation of gross energy are acceptable analytical approaches for marine mammal milk, but fat and sugar require separate analysis by appropriate analytic methods and cannot be adequately estimated by carbon stoichiometry. Some other alternative methods-low-temperature drying for water determination; Bradford, Lowry, and biuret methods for protein; the Folch and the Bligh and Dyer methods for fat; and enzymatic and reducing
An Analytical Method for Measuring Competence in Project Management
ERIC Educational Resources Information Center
González-Marcos, Ana; Alba-Elías, Fernando; Ordieres-Meré, Joaquín
The goal of this paper is to present a competence assessment method in project management that is based on participants' performance and value creation. It seeks to close an existing gap in competence assessment in higher education. The proposed method relies on information and communication technology (ICT) tools and combines Project Management…
Downstream processing and chromatography based analytical methods for production of vaccines, gene therapy vectors, and bacteriophages
Kramberger, Petra; Urbas, Lidija; Štrancar, Aleš
Downstream processing of nanoplexes (viruses, virus-like particles, bacteriophages) is characterized by complexity of the starting material, number of purification methods to choose from, regulations that are setting the frame for the final product and analytical methods for upstream and downstream monitoring. This review gives an overview on the nanoplex downstream challenges and chromatography based analytical methods for efficient monitoring of the nanoplex production. PMID:25751122
Formic Acid: Development of an Analytical Method and Use as Process Indicator in Anaerobic Systems
I AD-A250 668 D0 ,I I I 111 Wl'i ill EDT|CS ELECTE MAY 27 1992 I C I FORMIC ACID: DEVELCPMENT OF AN ANALYTICAL METHOD AND USE AS A PROCESS INDICATOR...ANALYTICAL METHOD AND USE AS A PROCESS INDICATOR IN ANAEROBIC SYSTEMS A Special Research Problem Report Presented to the Faculty of the Division of...DEVELOPMENT-OF AN ANALYTICAL-METHOD ANDA USE AS A PROCESS INDICATOR IN ANAEROBIC-SYSTEMS by Sharon L. Perkins APPROVED: rr*W.f-.s, Adviso Dr. JWf . sord
Manual of analytical methods for the Industrial Hygiene Chemistry Laboratory
Greulich, K.A.; Gray, C.E.
This Manual is compiled from techniques used in the Industrial Hygiene Chemistry Laboratory of Sandia National Laboratories in Albuquerque, New Mexico. The procedures are similar to those used in other laboratories devoted to industrial hygiene practices. Some of the methods are standard; some, modified to suit our needs; and still others, developed at Sandia. The authors have attempted to present all methods in a simple and concise manner but in sufficient detail to make them readily usable. It is not to be inferred that these methods are universal for any type of sample, but they have been found very reliable for the types of samples mentioned.
Three extraction methods and two detection techniques for determining pesticides in baby food were evaluated. The extraction techniques examined were supercritical fluid extraction (SFE), enhanced solvent extraction (ESE), and solid phase extraction (SPE). The detection techni...
An analytical method to predict efficiency of aircraft gearboxes
NASA Technical Reports Server (NTRS)
Anderson, N. E.; Loewenthal, S. H.; Black, J. D.
A spur gear efficiency prediction method previously developed by the authors was extended to include power loss of planetary gearsets. A friction coefficient model was developed for MIL-L-7808 oil based on disc machine data. This combined with the recent capability of predicting losses in spur gears of nonstandard proportions allows the calculation of power loss for complete aircraft gearboxes that utilize spur gears. The method was applied to the T56/501 turboprop gearbox and compared with measured test data. Bearing losses were calculated with large scale computer programs. Breakdowns of the gearbox losses point out areas for possible improvement.
Novel micelle PCR-based method for accurate, sensitive and quantitative microbiota profiling.
Boers, Stefan A; Hays, John P; Jansen, Ruud
In the last decade, many researchers have embraced 16S rRNA gene sequencing techniques, which has led to a wealth of publications and documented differences in the composition of microbial communities derived from many different ecosystems. However, comparison between different microbiota studies is currently very difficult due to the lack of a standardized 16S rRNA gene sequencing protocol. Here we report on a novel approach employing micelle PCR (micPCR) in combination with an internal calibrator that allows for standardization of microbiota profiles via their absolute abundances. The addition of an internal calibrator allows the researcher to express the resulting operational taxonomic units (OTUs) as a measure of 16S rRNA gene copies by correcting the number of sequences of each individual OTU in a sample for efficiency differences in the NGS process. Additionally, accurate quantification of OTUs obtained from negative extraction control samples allows for the subtraction of contaminating bacterial DNA derived from the laboratory environment or chemicals/reagents used. Using equimolar synthetic microbial community samples and low biomass clinical samples, we demonstrate that the calibrated micPCR/NGS methodology possess a much higher precision and a lower limit of detection compared with traditional PCR/NGS, resulting in more accurate microbiota profiles suitable for multi-study comparison.
Novel micelle PCR-based method for accurate, sensitive and quantitative microbiota profiling
Boers, Stefan A.; Hays, John P.; Jansen, Ruud
In the last decade, many researchers have embraced 16S rRNA gene sequencing techniques, which has led to a wealth of publications and documented differences in the composition of microbial communities derived from many different ecosystems. However, comparison between different microbiota studies is currently very difficult due to the lack of a standardized 16S rRNA gene sequencing protocol. Here we report on a novel approach employing micelle PCR (micPCR) in combination with an internal calibrator that allows for standardization of microbiota profiles via their absolute abundances. The addition of an internal calibrator allows the researcher to express the resulting operational taxonomic units (OTUs) as a measure of 16S rRNA gene copies by correcting the number of sequences of each individual OTU in a sample for efficiency differences in the NGS process. Additionally, accurate quantification of OTUs obtained from negative extraction control samples allows for the subtraction of contaminating bacterial DNA derived from the laboratory environment or chemicals/reagents used. Using equimolar synthetic microbial community samples and low biomass clinical samples, we demonstrate that the calibrated micPCR/NGS methodology possess a much higher precision and a lower limit of detection compared with traditional PCR/NGS, resulting in more accurate microbiota profiles suitable for multi-study comparison. PMID:28378789
gitter: a robust and accurate method for quantification of colony sizes from plate images.
Wagih, Omar; Parts, Leopold
Colony-based screens that quantify the fitness of clonal populations on solid agar plates are perhaps the most important source of genome-scale functional information in microorganisms. The images of ordered arrays of mutants produced by such experiments can be difficult to process because of laboratory-specific plate features, morphed colonies, plate edges, noise, and other artifacts. Most of the tools developed to address this problem are optimized to handle a single setup and do not work out of the box in other settings. We present gitter, an image analysis tool for robust and accurate processing of images from colony-based screens. gitter works by first finding the grid of colonies from a preprocessed image and then locating the bounds of each colony separately. We show that gitter produces comparable colony sizes to other tools in simple cases but outperforms them by being able to handle a wider variety of screens and more accurately quantify colony sizes from difficult images. gitter is freely available as an R package from http://cran.r-project.org/web/packages/gitter under the LGPL. Tutorials and demos can be found at http://omarwagih.github.io/gitter.
Single Subject Research: A Synthesis of Analytic Methods
ERIC Educational Resources Information Center
Alresheed, Fahad; Hott, Brittany L.; Bano, Carmen
Historically, the synthesis of single subject design has employed visual inspection to yield significance of results. However, current research is supporting different techniques that will facilitate the interpretation of these intervention outcomes. These methods can provide more reliable data than employing visual inspection in isolation. This…
An Analytical Method of Identifying Biased Test Items.
ERIC Educational Resources Information Center
Plake, Barbara S.; Hoover, H. D.
A follow-up technique is needed to identify items contributing to items-by-groups interaction when using an ANOVA procedure to examine a test for biased items. The method described includes distribution theory for assessing level of significance and is sensitive to items at all difficulty levels. (Author/GSK)
A Simple yet Accurate Method for Students to Determine Asteroid Rotation Periods from Fragmented Light Curve Data
ERIC Educational Resources Information Center
Beare, R. A.
Professional astronomers use specialized software not normally available to students to determine the rotation periods of asteroids from fragmented light curve data. This paper describes a simple yet accurate method based on Microsoft Excel[R] that enables students to find periods in asteroid light curve and other discontinuous time series data of…
Field Sampling and Selecting On-Site Analytical Methods for Explosives in Soil
The purpose of this issue paper is to provide guidance to Remedial Project Managers regarding field sampling and on-site analytical methods fordetecting and quantifying secondary explosive compounds in soils.
SW-846 Method 8261A incorporates the vacuum distillation of analytes from samples, and their recoveries are characterized by internal standards. The internal standards measure recoveries with confidence intervals as functions of physical properties. The frequency the calculate...
Methodology for the validation of analytical methods involved in uniformity of dosage units tests.
Rozet, E; Ziemons, E; Marini, R D; Boulanger, B; Hubert, Ph
Validation of analytical methods is required prior to their routine use. In addition, the current implementation of the Quality by Design (QbD) framework in the pharmaceutical industries aims at improving the quality of the end products starting from its early design stage. However, no regulatory guideline or none of the published methodologies to assess method validation propose decision methodologies that effectively take into account the final purpose of developed analytical methods. In this work a solution is proposed for the specific case of validating analytical methods involved in the assessment of the content uniformity or uniformity of dosage units of a batch of pharmaceutical drug products as proposed in the European or US pharmacopoeias. This methodology uses statistical tolerance intervals as decision tools. Moreover it adequately defines the Analytical Target Profile of analytical methods in order to obtain analytical methods that allow to make correct decisions about Content uniformity or uniformity of dosage units with high probability. The applicability of the proposed methodology is further illustrated using an HPLC-UV assay as well as a near infra-red spectrophotometric method.
An Improved Analytical Method for Atmospheric Chlorides in Tropic Tests
Chloride Electrode Chloride Analysis Methodology Tropic Regions Diphenylcarbazone- Panama Canal Zone Tropic Test Center Bromphenol Blue Salt Wet Candle 20...ambient salt has been measured for corrosion studies by wet- candle sampling and determining water-soluble chlorides by manual mercuric nitrate titration...of total chloride in wet- candle samplers. For the past 8 years atmospheric salt has been measured at tropic test sites by the wet- candle method
Advanced and In Situ Analytical Methods for Solar Fuel Materials.
Chan, Candace K; Tüysüz, Harun; Braun, Artur; Ranjan, Chinmoy; La Mantia, Fabio; Miller, Benjamin K; Zhang, Liuxian; Crozier, Peter A; Haber, Joel A; Gregoire, John M; Park, Hyun S; Batchellor, Adam S; Trotochaud, Lena; Boettcher, Shannon W
In situ and operando techniques can play important roles in the development of better performing photoelectrodes, photocatalysts, and electrocatalysts by helping to elucidate crucial intermediates and mechanistic steps. The development of high throughput screening methods has also accelerated the evaluation of relevant photoelectrochemical and electrochemical properties for new solar fuel materials. In this chapter, several in situ and high throughput characterization tools are discussed in detail along with their impact on our understanding of solar fuel materials.
Analytical methods applied to diverse types of Brazilian propolis
Propolis is a bee product, composed mainly of plant resins and beeswax, therefore its chemical composition varies due to the geographic and plant origins of these resins, as well as the species of bee. Brazil is an important supplier of propolis on the world market and, although green colored propolis from the southeast is the most known and studied, several other types of propolis from Apis mellifera and native stingless bees (also called cerumen) can be found. Propolis is usually consumed as an extract, so the type of solvent and extractive procedures employed further affect its composition. Methods used for the extraction; analysis the percentage of resins, wax and insoluble material in crude propolis; determination of phenolic, flavonoid, amino acid and heavy metal contents are reviewed herein. Different chromatographic methods applied to the separation, identification and quantification of Brazilian propolis components and their relative strengths are discussed; as well as direct insertion mass spectrometry fingerprinting. Propolis has been used as a popular remedy for several centuries for a wide array of ailments. Its antimicrobial properties, present in propolis from different origins, have been extensively studied. But, more recently, anti-parasitic, anti-viral/immune stimulating, healing, anti-tumor, anti-inflammatory, antioxidant and analgesic activities of diverse types of Brazilian propolis have been evaluated. The most common methods employed and overviews of their relative results are presented. PMID:21631940
[Development of analytical method for determination nicotine metabolites in urine].
Piekoszewski, Wojciech; Florek, Ewa; Kulza, Maksymilian; Wilimowska, Jolanta; Loba, Urszula
The assay of biomarkers in biological material is the most popular and reliable method in estimate exposure to tobacco smoke. Nicotine and its metabolites qualify to the most specific biomarkers for tobacco smoke. Currently the most often used are cotinine and trans-3'-hydroxycotinine. The aim of this study was development of easy and quick method of determining nicotine and its main metabolites with high performance liquid chromatography--available in most laboratories. Nicotine and its metabolites in urine (cotinine, trans-3'-hydroxycotinine, nornicotine and nicotine N-oxide) was determined by means of high performance liquid chromatography with spectrometry detection (HPLC-UV). The determined compounds were extracted from urine by means of the liquid-liquid technique, before analysed by the HPLC method. Developed technique of high performance liquid chromatography proved to be useful to assessment nicotine and its four metabolites in smokers, though further research are necessary. The further modification of procedure is required, because of the interferences of cotinine N-oxide with matrix, which prevent determination. Increasing the efficiency of extraction nicotine and nornicotine could enable the determination in people exposed on environmental tobacco smoke (ETS). This study confirm other authors' observations that 3'-hydroxycotinine might be equivalent with cotinine predictor of tobacco smoke exposure, however further studies are required.
[Progress in sample preparation and analytical methods for trace polar small molecules in complex samples].
Zhang, Qianchun; Luo, Xialin; Li, Gongke; Xiao, Xiaohua
Small polar molecules such as nucleosides, amines, amino acids are important analytes in biological, food, environmental, and other fields. It is necessary to develop efficient sample preparation and sensitive analytical methods for rapid analysis of these polar small molecules in complex matrices. Some typical materials in sample preparation, including silica, polymer, carbon, boric acid and so on, are introduced in this paper. Meanwhile, the applications and developments of analytical methods of polar small molecules, such as reversed-phase liquid chromatography, hydrophilic interaction chromatography, etc., are also reviewed.
Computing Correlations with Q-Sort Data for McQuitty's Pattern-Analytic Methods
ERIC Educational Resources Information Center
Lee, Jae-Won
McQuitty has developed a number of pattern analytic methods that can be computed by hand, but the matrices of associations used in these methods cannot be so readily computed. A simplified but exact method of computing product moment correlations based on Q sort data for McQuitty's methods is described. (Author/JKS)
Accurate surface tension measurement of glass melts by the pendant drop method.
Chang, Yao-Yuan; Wu, Ming-Ya; Hung, Yi-Lin; Lin, Shi-Yow
A pendant drop tensiometer, coupled with image digitization technology and a best-fitting algorithm, was built to accurately measure the surface tension of glass melts at high temperatures. More than one thousand edge-coordinate points were obtained for a pendant glass drop. These edge points were fitted with the theoretical drop profiles derived from the Young-Laplace equation to determine the surface tension of glass melt. The uncertainty of the surface tension measurements was investigated. The measurement uncertainty (σ) could be related to a newly defined factor of drop profile completeness (Fc): the larger the Fc is, the smaller σ is. Experimental data showed that the uncertainty of the surface tension measurement when using this pendant drop tensiometer could be ±3 mN∕m for glass melts.
Development of a method to accurately calculate the Dpb and quickly predict the strength of a chemical bond
NASA Astrophysics Data System (ADS)
Du, Xia; Zhao, Dong-Xia; Yang, Zhong-Zhi
A new approach to characterize and measure bond strength has been developed. First, we propose a method to accurately calculate the potential acting on an electron in a molecule (PAEM) at the saddle point along a chemical bond in situ, denoted by Dpb. Then, a direct method to quickly evaluate bond strength is established. We choose some familiar molecules as models for benchmarking this method. As a practical application, the Dpb of base pairs in DNA along C-H and N-H bonds are obtained for the first time. All results show that C7-H of A-T and C8-H of G-C are the relatively weak bonds that are the injured positions in DNA damage. The significance of this work is twofold: (i) A method is developed to calculate Dpb of various sizable molecules in situ quickly and accurately; (ii) This work demonstrates the feasibility to quickly predict the bond strength in macromolecules.
Sulfathiazole: analytical methods for quantification in seawater and macroalgae.
Leston, Sara; Nebot, Carolina; Nunes, Margarida; Cepeda, Alberto; Pardal, Miguel Ângelo; Ramos, Fernando
The awareness of the interconnection between pharmaceutical residues, human health, and aquaculture has highlighted the concern with the potential harmful effects it can induce. Furthermore, to better understand the consequences more research is needed and to achieve that new methodologies on the detection and quantification of pharmaceuticals are necessary. Antibiotics are a major class of drugs included in the designation of emerging contaminants, representing a high risk to natural ecosystems. Among the most prescribed are sulfonamides, with sulfathiazole being the selected compound to be investigated in this study. In the environment, macroalgae are an important group of producers, continuously exposed to contaminants, with a significant role in the trophic web. Due to these characteristics are already under scope for the possibility of being used as bioindicators. The present study describes two new methodologies based on liquid chromatography for the determination of sulfathiazole in seawater and in the green macroalgae Ulva lactuca. Results show both methods were validated according to international standards, with MS/MS detection showing more sensitivity as expected with LODs of 2.79ng/g and 1.40ng/mL for algae and seawater, respectively. As for UV detection the values presented were respectively 2.83μg/g and 2.88μg/mL, making it more suitable for samples originated in more contaminated sites. The methods were also applied to experimental data with success with results showing macroalgae have potential use as indicators of contamination.
New Method for Analytical Photovoltaic Parameters Identification: Meeting Manufacturer's Datasheet for Different Ambient Conditions
NASA Astrophysics Data System (ADS)
Cubas, Javier; Pindado, Santiago; de Manuel, Carlos
At present, photovoltaic energy is one of the most important renewable energy sources. The demand for solar panels has been continuously growing, both in the industrial electric sector and in the private sector. In both cases the analysis of the solar panel efficiency is extremely important in order to maximize the energy production. In order to have a more efficient photovoltaic system, the most accurate understanding of this system is required. However, in most of the cases the only information available in this matter is reduced, the experimental testing of the photovoltaic device being out of consideration, normally for budget reasons. Several methods, normally based on an equivalent circuit model, have been developed to extract the I-V curve of a photovoltaic device from the small amount of data provided by the manufacturer. The aim of this paper is to present a fast, easy, and accurate analytical method, developed to calculate the equivalent circuit parameters of a solar panel from the only data that manufacturers usually provide. The calculated circuit accurately reproduces the solar panel behavior, that is, the I-V curve. This fact being extremely important for practical reasons such as selecting the best solar panel in the market for a particular purpose, or maximize the energy extraction with MPPT (Maximum Peak Power Tracking) methods.
Analytical Chemistry Laboratory (ACL) procedure compendium. Volume 4, Organic methods
Not Available
This interim notice covers the following: extractable organic halides in solids, total organic halides, analysis by gas chromatography/Fourier transform-infrared spectroscopy, hexadecane extracts for volatile organic compounds, GC/MS analysis of VOCs, GC/MS analysis of methanol extracts of cryogenic vapor samples, screening of semivolatile organic extracts, GPC cleanup for semivolatiles, sample preparation for GC/MS for semi-VOCs, analysis for pesticides/PCBs by GC with electron capture detection, sample preparation for pesticides/PCBs in water and soil sediment, report preparation, Florisil column cleanup for pesticide/PCBs, silica gel and acid-base partition cleanup of samples for semi-VOCs, concentrate acid wash cleanup, carbon determination in solids using Coulometrics` CO{sub 2} coulometer, determination of total carbon/total organic carbon/total inorganic carbon in radioactive liquids/soils/sludges by hot persulfate method, analysis of solids for carbonates using Coulometrics` Model 5011 coulometer, and soxhlet extraction.
A novel method for analytically solving a radial advection-dispersion equation
NASA Astrophysics Data System (ADS)
Lai, Keng-Hsin; Liu, Chen-Wuing; Liang, Ching-Ping; Chen, Jui-Sheng; Sie, Bing-Ruei
An analytical solution for solute transport in a radial flow field has a variety of practical applications in the study of the transport in push-pull/divergent/convergent flow tracer tests, aquifer remediation by pumping and aquifer storage and recovery. However, an analytical solution for radial advective-dispersive transport has been proven very difficult to develop and relatively few in subsurface hydrology have made efforts to do so, because variable coefficients in the governing partial differential equations. Most of the solutions for radial advective-dispersive transport presented in the literature have generally been solved semi-analytically with the final concentration values being obtained with the help of a numerical Laplace inversion. This study presents a novel solution strategy for analytically solving the radial advective-dispersive transport problem. A Laplace transform with respect to the time variable and a generalized integral transform technique with respect to the spatial variable are first performed to convert the transient governing partial differential equations into an algebraic equation. Subsequently, the algebraic equation is solved using simple algebraic manipulations, easily yielding the solution in the transformed domain. The solution in the original domain is ultimately obtained by successive applications of the Laplace and corresponding generalized integral transform inversions. A convergent flow tracer test is used to demonstrate the robustness of the proposed method for deriving an exact analytical solution to the radial advective-dispersive transport problem. The developed analytical solution is verified against a semi-analytical solution taken from the literature. The results show perfect agreement between our exact analytical solution and the semi-analytical solution. The solution method presented in this study can be applied to create more comprehensive analytical models for a great variety of radial advective
A sample preparation method for recovering suppressed analyte ions in MALDI TOF MS.
Lou, Xianwen; de Waal, Bas F M; Milroy, Lech-Gustav; van Dongen, Joost L J
In matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS), analyte signals can be substantially suppressed by other compounds in the sample. In this technical note, we describe a modified thin-layer sample preparation method that significantly reduces the analyte suppression effect (ASE). In our method, analytes are deposited on top of the surface of matrix preloaded on the MALDI plate. To prevent embedding of analyte into the matrix crystals, the sample solution were prepared without matrix and efforts were taken not to re-dissolve the preloaded matrix. The results with model mixtures of peptides, synthetic polymers and lipids show that detection of analyte ions, which were completely suppressed using the conventional dried-droplet method, could be effectively recovered by using our method. Our findings suggest that the incorporation of analytes in the matrix crystals has an important contributory effect on ASE. By reducing ASE, our method should be useful for the direct MALDI MS analysis of multicomponent mixtures.
Comparison of Analytical Methods for the Determination of Uranium in Seawater Using Inductively Coupled Plasma Mass Spectrometry
Wood, Jordana R.; Gill, Gary A.; Kuo, Li-Jung; Strivens, Jonathan E.; Choe, Key-Young
Trace element determinations in seawater by inductively coupled plasma mass spectrometry are analytically challenging due to the typically very low concentrations of the trace elements and the potential interference of the salt matrix. In this study, we did a comparison for uranium analysis using inductively coupled plasma mass spectrometry (ICP-MS) of Sequim Bay seawater samples and three seawater certified reference materials (SLEW-3, CASS-5 and NASS-6) using seven different analytical approaches. The methods evaluated include: direct analysis, Fe/Pd reductive precipitation, standard addition calibration, online automated dilution using an external calibration with and without matrix matching, and online automated pre-concentration. The method which produced the most accurate results was the method of standard addition calibration, recovering uranium from a Sequim Bay seawater sample at 101 ± 1.2%. The on-line preconcentration method and the automated dilution with matrix-matched calibration method also performed well. The two least effective methods were the direct analysis and the Fe/Pd reductive precipitation using sodium borohydride
Analytical recovery of protozoan enumeration methods: have drinking water QMRA models corrected or created bias?
Schmidt, P J; Emelko, M B; Thompson, M E
Quantitative microbial risk assessment (QMRA) is a tool to evaluate the potential implications of pathogens in a water supply or other media and is of increasing interest to regulators. In the case of potentially pathogenic protozoa (e.g. Cryptosporidium oocysts and Giardia cysts), it is well known that the methods used to enumerate (oo)cysts in samples of water and other media can have low and highly variable analytical recovery. In these applications, QMRA has evolved from ignoring analytical recovery to addressing it in point-estimates of risk, and then to addressing variation of analytical recovery in Monte Carlo risk assessments. Often, variation of analytical recovery is addressed in exposure assessment by dividing concentration values that were obtained without consideration of analytical recovery by random beta-distributed recovery values. A simple mathematical proof is provided to demonstrate that this conventional approach to address non-constant analytical recovery in drinking water QMRA will lead to overestimation of mean pathogen concentrations. The bias, which can exceed an order of magnitude, is greatest when low analytical recovery values are common. A simulated dataset is analyzed using a diverse set of approaches to obtain distributions representing temporal variation in the oocyst concentration, and mean annual risk is then computed from each concentration distribution using a simple risk model. This illustrative example demonstrates that the bias associated with mishandling non-constant analytical recovery and non-detect samples can cause drinking water systems to be erroneously classified as surpassing risk thresholds.
A Critical Review for Developing Accurate and Dynamic Predictive Models Using Machine Learning Methods in Medicine and Health Care.
Alanazi, Hamdan O; Abdullah, Abdul Hanan; Qureshi, Kashif Naseer
Recently, Artificial Intelligence (AI) has been used widely in medicine and health care sector. In machine learning, the classification or prediction is a major field of AI. Today, the study of existing predictive models based on machine learning methods is extremely active. Doctors need accurate predictions for the outcomes of their patients' diseases. In addition, for accurate predictions, timing is another significant factor that influences treatment decisions. In this paper, existing predictive models in medicine and health care have critically reviewed. Furthermore, the most famous machine learning methods have explained, and the confusion between a statistical approach and machine learning has clarified. A review of related literature reveals that the predictions of existing predictive models differ even when the same dataset is used. Therefore, existing predictive models are essential, and current methods must be improved.
Time-Accurate, Unstructured-Mesh Navier-Stokes Computations with the Space-Time CESE Method
NASA Technical Reports Server (NTRS)
Chang, Chau-Lyan
Application of the newly emerged space-time conservation element solution element (CESE) method to compressible Navier-Stokes equations is studied. In contrast to Euler equations solvers, several issues such as boundary conditions, numerical dissipation, and grid stiffness warrant systematic investigations and validations. Non-reflecting boundary conditions applied at the truncated boundary are also investigated from the stand point of acoustic wave propagation. Validations of the numerical solutions are performed by comparing with exact solutions for steady-state as well as time-accurate viscous flow problems. The test cases cover a broad speed regime for problems ranging from acoustic wave propagation to 3D hypersonic configurations. Model problems pertinent to hypersonic configurations demonstrate the effectiveness of the CESE method in treating flows with shocks, unsteady waves, and separations. Good agreement with exact solutions suggests that the space-time CESE method provides a viable alternative for time-accurate Navier-Stokes calculations of a broad range of problems.
k-Space Image Correlation Spectroscopy: A Method for Accurate Transport Measurements Independent of Fluorophore Photophysics
Kolin, David L.; Ronis, David; Wiseman, Paul W.
We present the theory and application of reciprocal space image correlation spectroscopy (kICS). This technique measures the number density, diffusion coefficient, and velocity of fluorescently labeled macromolecules in a cell membrane imaged on a confocal, two-photon, or total internal reflection fluorescence microscope. In contrast to r-space correlation techniques, we show kICS can recover accurate dynamics even in the presence of complex fluorophore photobleaching and/or "blinking". Furthermore, these quantities can be calculated without nonlinear curve fitting, or any knowledge of the beam radius of the exciting laser. The number densities calculated by kICS are less sensitive to spatial inhomogeneity of the fluorophore distribution than densities measured using image correlation spectroscopy. We use simulations as a proof-of-principle to show that number densities and transport coefficients can be extracted using this technique. We present calibration measurements with fluorescent microspheres imaged on a confocal microscope, which recover Stokes-Einstein diffusion coefficients, and flow velocities that agree with single particle tracking measurements. We also show the application of kICS to measurements of the transport dynamics of α5-integrin/enhanced green fluorescent protein constructs in a transfected CHO cell imaged on a total internal reflection fluorescence microscope using charge-coupled device area detection. PMID:16861272
Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials
Thompson, A.P.; Swiler, L.P.; Trott, C.R.; Foiles, S.M.; Tucker, G.J.
We present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected onto a basis of hyperspherical harmonics in four dimensions. The bispectrum components are the same bond-orientational order parameters employed by the GAP potential [1]. The SNAP potential, unlike GAP, assumes a linear relationship between atom energy and bispectrum components. The linear SNAP coefficients are determined using weighted least-squares linear regression against the full QM training set. This allows the SNAP potential to be fit in a robust, automated manner to large QM data sets using many bispectrum components. The calculation of the bispectrum components and the SNAP potential are implemented in the LAMMPS parallel molecular dynamics code. We demonstrate that a previously unnoticed symmetry property can be exploited to reduce the computational cost of the force calculations by more than one order of magnitude. We present results for a SNAP potential for tantalum, showing that it accurately reproduces a range of commonly calculated properties of both the crystalline solid and the liquid phases. In addition, unlike simpler existing potentials, SNAP correctly predicts the energy barrier for screw dislocation migration in BCC tantalum.
Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials
NASA Astrophysics Data System (ADS)
Thompson, A. P.; Swiler, L. P.; Trott, C. R.; Foiles, S. M.; Tucker, G. J.
We present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected onto a basis of hyperspherical harmonics in four dimensions. The bispectrum components are the same bond-orientational order parameters employed by the GAP potential [1]. The SNAP potential, unlike GAP, assumes a linear relationship between atom energy and bispectrum components. The linear SNAP coefficients are determined using weighted least-squares linear regression against the full QM training set. This allows the SNAP potential to be fit in a robust, automated manner to large QM data sets using many bispectrum components. The calculation of the bispectrum components and the SNAP potential are implemented in the LAMMPS parallel molecular dynamics code. We demonstrate that a previously unnoticed symmetry property can be exploited to reduce the computational cost of the force calculations by more than one order of magnitude. We present results for a SNAP potential for tantalum, showing that it accurately reproduces a range of commonly calculated properties of both the crystalline solid and the liquid phases. In addition, unlike simpler existing potentials, SNAP correctly predicts the energy barrier for screw dislocation migration in BCC tantalum.
An Improved Method for Accurate and Rapid Measurement of Flight Performance in Drosophila
Babcock, Daniel T.; Ganetzky, Barry
Drosophila has proven to be a useful model system for analysis of behavior, including flight. The initial flight tester involved dropping flies into an oil-coated graduated cylinder; landing height provided a measure of flight performance by assessing how far flies will fall before producing enough thrust to make contact with the wall of the cylinder. Here we describe an updated version of the flight tester with four major improvements. First, we added a "drop tube" to ensure that all flies enter the flight cylinder at a similar velocity between trials, eliminating variability between users. Second, we replaced the oil coating with removable plastic sheets coated in Tangle-Trap, an adhesive designed to capture live insects. Third, we use a longer cylinder to enable more accurate discrimination of flight ability. Fourth we use a digital camera and imaging software to automate the scoring of flight performance. These improvements allow for the rapid, quantitative assessment of flight behavior, useful for large datasets and large-scale genetic screens. PMID:24561810
Accurate Learning with Few Atlases (ALFA): an algorithm for MRI neonatal brain extraction and comparison with 11 publicly available methods
NASA Astrophysics Data System (ADS)
Serag, Ahmed; Blesa, Manuel; Moore, Emma J.; Pataky, Rozalia; Sparrow, Sarah A.; Wilkinson, A. G.; MacNaught, Gillian; Semple, Scott I.; Boardman, James P.
Accurate whole-brain segmentation, or brain extraction, of magnetic resonance imaging (MRI) is a critical first step in most neuroimage analysis pipelines. The majority of brain extraction algorithms have been developed and evaluated for adult data and their validity for neonatal brain extraction, which presents age-specific challenges for this task, has not been established. We developed a novel method for brain extraction of multi-modal neonatal brain MR images, named ALFA (Accurate Learning with Few Atlases). The method uses a new sparsity-based atlas selection strategy that requires a very limited number of atlases 'uniformly' distributed in the low-dimensional data space, combined with a machine learning based label fusion technique. The performance of the method for brain extraction from multi-modal data of 50 newborns is evaluated and compared with results obtained using eleven publicly available brain extraction methods. ALFA outperformed the eleven compared methods providing robust and accurate brain extraction results across different modalities. As ALFA can learn from partially labelled datasets, it can be used to segment large-scale datasets efficiently. ALFA could also be applied to other imaging modalities and other stages across the life course.
Accurate Learning with Few Atlases (ALFA): an algorithm for MRI neonatal brain extraction and comparison with 11 publicly available methods.
Serag, Ahmed; Blesa, Manuel; Moore, Emma J; Pataky, Rozalia; Sparrow, Sarah A; Wilkinson, A G; Macnaught, Gillian; Semple, Scott I; Boardman, James P
Accurate whole-brain segmentation, or brain extraction, of magnetic resonance imaging (MRI) is a critical first step in most neuroimage analysis pipelines. The majority of brain extraction algorithms have been developed and evaluated for adult data and their validity for neonatal brain extraction, which presents age-specific challenges for this task, has not been established. We developed a novel method for brain extraction of multi-modal neonatal brain MR images, named ALFA (Accurate Learning with Few Atlases). The method uses a new sparsity-based atlas selection strategy that requires a very limited number of atlases 'uniformly' distributed in the low-dimensional data space, combined with a machine learning based label fusion technique. The performance of the method for brain extraction from multi-modal data of 50 newborns is evaluated and compared with results obtained using eleven publicly available brain extraction methods. ALFA outperformed the eleven compared methods providing robust and accurate brain extraction results across different modalities. As ALFA can learn from partially labelled datasets, it can be used to segment large-scale datasets efficiently. ALFA could also be applied to other imaging modalities and other stages across the life course.
Archimedes Revisited: A Faster, Better, Cheaper Method of Accurately Measuring the Volume of Small Objects
ERIC Educational Resources Information Center
Hughes, Stephen W.
A little-known method of measuring the volume of small objects based on Archimedes' principle is described, which involves suspending an object in a water-filled container placed on electronic scales. The suspension technique is a variation on the hydrostatic weighing technique used for measuring volume. The suspension method was compared with two…
Calculation of accurate channel spacing of an AWG optical demultiplexer applying proportional method
NASA Astrophysics Data System (ADS)
Seyringer, D.; Hodzic, E.
We present the proportional method to correct the channel spacing between the transmitted output channels of an AWG. The developed proportional method was applied to 64-channel, 50 GHz AWG and the achieved results confirm very good correlation between designed channel spacing (50 GHz) and the channel spacing calculated from simulated AWG transmission characteristics.
A second-order accurate kinetic-theory-based method for inviscid compressible flows
NASA Technical Reports Server (NTRS)
Deshpande, Suresh M.
An upwind method for the numerical solution of the Euler equations is presented. This method, called the kinetic numerical method (KNM), is based on the fact that the Euler equations are moments of the Boltzmann equation of the kinetic theory of gases when the distribution function is Maxwellian. The KNM consists of two phases, the convection phase and the collision phase. The method is unconditionally stable and explicit. It is highly vectorizable and can be easily made total variation diminishing for the distribution function by a suitable choice of the interpolation strategy. The method is applied to a one-dimensional shock-propagation problem and to a two-dimensional shock-reflection problem.
Analytical Validation of a Highly Quantitative, Sensitive, Accurate, and Reproducible Assay (HERmark®) for the Measurement of HER2 Total Protein and HER2 Homodimers in FFPE Breast Cancer Tumor Specimens
Larson, Jeffrey S.; Goodman, Laurie J.; Tan, Yuping; Defazio-Eli, Lisa; Paquet, Agnes C.; Cook, Jennifer W.; Rivera, Amber; Frankson, Kristi; Bose, Jolly; Chen, Lili; Cheung, Judy; Shi, Yining; Irwin, Sarah; Kiss, Linda D. B.; Huang, Weidong; Utter, Shannon; Sherwood, Thomas; Bates, Michael; Weidler, Jodi; Parry, Gordon; Winslow, John; Petropoulos, Christos J.; Whitcomb, Jeannette M.
We report here the results of the analytical validation of assays that measure HER2 total protein (H2T) and HER2 homodimer (H2D) expression in Formalin Fixed Paraffin Embedded (FFPE) breast cancer tumors as well as cell line controls. The assays are based on the VeraTag technology platform and are commercially available through a central CAP-accredited clinical reference laboratory. The accuracy of H2T measurements spans a broad dynamic range (2-3 logs) as evaluated by comparison with cross-validating technologies. The measurement of H2T expression demonstrates a sensitivity that is approximately 7–10 times greater than conventional immunohistochemistry (IHC) (HercepTest). The HERmark assay is a quantitative assay that sensitively and reproducibly measures continuous H2T and H2D protein expression levels and therefore may have the potential to stratify patients more accurately with respect to response to HER2-targeted therapies than current methods which rely on semiquantitative protein measurements (IHC) or on indirect assessments of gene amplification (FISH). PMID:21151530
A Comparative Evaluation of Analytical Methods to Allocate Individual Marks from a Team Mark
ERIC Educational Resources Information Center
Nepal, Kali
This study presents a comparative evaluation of analytical methods to allocate individual marks from a team mark. Only the methods that use or can be converted into some form of mathematical equations are analysed. Some of these methods focus primarily on the assessment of the quality of teamwork product (product assessment) while the others put…
Conceptual Issues and Analytic Strategies in Mixed-Method Studies of Preschool Inclusion.
ERIC Educational Resources Information Center
Li, Shouming; Marquart, Jules M.; Zercher, Craig
This paper addresses the conceptual issues of combining qualitative and quantitative methods in early intervention research by illustrating how two analytic approaches were used for different mixed-method purposes in the study of preschool inclusion. It describes practical strategies for conducting mixed-method data analysis in terms of data…
Accurate and efficient velocity estimation using Transmission matrix formalism based on the domain decomposition method
NASA Astrophysics Data System (ADS)
Wang, Benfeng; Jakobsen, Morten; Wu, Ru-Shan; Lu, Wenkai; Chen, Xiaohong
Full waveform inversion (FWI) has been regarded as an effective tool to build the velocity model for the following pre-stack depth migration. Traditional inversion methods are built on Born approximation and are initial model dependent, while this problem can be avoided by introducing Transmission matrix (T-matrix), because the T-matrix includes all orders of scattering effects. The T-matrix can be estimated from the spatial aperture and frequency bandwidth limited seismic data using linear optimization methods. However the full T-matrix inversion method (FTIM) is always required in order to estimate velocity perturbations, which is very time consuming. The efficiency can be improved using the previously proposed inverse thin-slab propagator (ITSP) method, especially for large scale models. However, the ITSP method is currently designed for smooth media, therefore the estimation results are unsatisfactory when the velocity perturbation is relatively large. In this paper, we propose a domain decomposition method (DDM) to improve the efficiency of the velocity estimation for models with large perturbations, as well as guarantee the estimation accuracy. Numerical examples for smooth Gaussian ball models and a reservoir model with sharp boundaries are performed using the ITSP method, the proposed DDM and the FTIM. The estimated velocity distributions, the relative errors and the elapsed time all demonstrate the validity of the proposed DDM.
Methods for Applying Accurate Digital PCR Analysis on Low Copy DNA Samples
Whale, Alexandra S.; Cowen, Simon; Foy, Carole A.; Huggett, Jim F.
Digital PCR (dPCR) is a highly accurate molecular approach, capable of precise measurements, offering a number of unique opportunities. However, in its current format dPCR can be limited by the amount of sample that can be analysed and consequently additional considerations such as performing multiplex reactions or pre-amplification can be considered. This study investigated the impact of duplexing and pre-amplification on dPCR analysis by using three different assays targeting a model template (a portion of the Arabidopsis thaliana alcohol dehydrogenase gene). We also investigated the impact of different template types (linearised plasmid clone and more complex genomic DNA) on measurement precision using dPCR. We were able to demonstrate that duplex dPCR can provide a more precise measurement than uniplex dPCR, while applying pre-amplification or varying template type can significantly decrease the precision of dPCR. Furthermore, we also demonstrate that the pre-amplification step can introduce measurement bias that is not consistent between experiments for a sample or assay and so could not be compensated for during the analysis of this data set. We also describe a model for estimating the prevalence of molecular dropout and identify this as a source of dPCR imprecision. Our data have demonstrated that the precision afforded by dPCR at low sample concentration can exceed that of the same template post pre-amplification thereby negating the need for this additional step. Our findings also highlight the technical differences between different templates types containing the same sequence that must be considered if plasmid DNA is to be used to assess or control for more complex templates like genomic DNA. PMID:23472156
Is photometry an accurate and reliable method to assess boar semen concentration?
Camus, A; Camugli, S; Lévêque, C; Schmitt, E; Staub, C
Sperm concentration assessment is a key point to insure appropriate sperm number per dose in species subjected to artificial insemination (AI). The aim of the present study was to evaluate the accuracy and reliability of two commercially available photometers, AccuCell™ and AccuRead™ pre-calibrated for boar semen in comparison to UltiMate™ boar version 12.3D, NucleoCounter SP100 and Thoma hemacytometer. For each type of instrument, concentration was measured on 34 boar semen samples in quadruplicate and agreement between measurements and instruments were evaluated. Accuracy for both photometers was illustrated by mean of percentage differences to the general mean. It was -0.6% and 0.5% for Accucell™ and Accuread™ respectively, no significant differences were found between instrument and mean of measurement among all equipment. Repeatability for both photometers was 1.8% and 3.2% for AccuCell™ and AccuRead™ respectively. Low differences were observed between instruments (confidence interval 3%) except when hemacytometer was used as a reference. Even though hemacytometer is considered worldwide as the gold standard, it is the more variable instrument (confidence interval 7.1%). The conclusion is that routine photometry measures of raw semen concentration are reliable, accurate and precise using AccuRead™ or AccuCell™. There are multiple steps in semen processing that can induce sperm loss and therefore increase differences between theoretical and real sperm numbers in doses. Potential biases that depend on the workflow but not on the initial photometric measure of semen concentration are discussed.
Accurate dispersion interactions from standard density-functional theory methods with small basis sets.
Mackie, Iain D; Dilabio, Gino A
B971, PBE and PBE1 density functionals with 6-31G(d) basis sets are shown to accurately describe the binding in dispersion bound dimers. This is achieved through the use of dispersion-correcting potentials (DCPs) in conjunction with counterpoise corrections. DCPs resemble and are applied like conventional effective core potentials that can be used with most computational chemistry programs without code modification. Rather, DCPs are implemented by simple appendage to the input files for these types of programs. Binding energies are predicted to within ca. 11% and monomer separations to within ca. 0.06 A of high-level wavefunction data using B971/6-31G(d)-DCP. Similar results are obtained for PBE and PBE1 with the 6-31G(d) basis sets and DCPs. Although results found using the 3-21G(d) are not as impressive, they never-the-less show promise as a means of initial study for a wide variety of dimers, including those dominated by dispersion, hydrogen-bonding and a mixture of interactions. Notable improvement is found in comparison to M06-2X/6-31G(d) data, e.g., mean absolute deviations for the S22-set of dimers of ca. 13.6 and 16.5% for B971/6-31G(d)-DCP and M06-2X, respectively. However, it should be pointed out that the latter data were obtained using a larger integration grid size since a smaller grid results in different binding energies and geometries for simple dispersion-bound dimers such as methane and ethene.
Accurate Simulation of MPPT Methods Performance When Applied to Commercial Photovoltaic Panels
A new, simple, and quick-calculation methodology to obtain a solar panel model, based on the manufacturers' datasheet, to perform MPPT simulations, is described. The method takes into account variations on the ambient conditions (sun irradiation and solar cells temperature) and allows fast MPPT methods comparison or their performance prediction when applied to a particular solar panel. The feasibility of the described methodology is checked with four different MPPT methods applied to a commercial solar panel, within a day, and under realistic ambient conditions. PMID:25874262
A flux monitoring method for easy and accurate flow rate measurement in pressure-driven flows.
Siria, Alessandro; Biance, Anne-Laure; Ybert, Christophe; Bocquet, Lydéric
We propose a low-cost and versatile method to measure flow rate in microfluidic channels under pressure-driven flows, thereby providing a simple characterization of the hydrodynamic permeability of the system. The technique is inspired by the current monitoring method usually employed to characterize electro-osmotic flows, and makes use of the measurement of the time-dependent electric resistance inside the channel associated with a moving salt front. We have successfully tested the method in a micrometer-size channel, as well as in a complex microfluidic channel with a varying cross-section, demonstrating its ability in detecting internal shape variations.
Accurate simulation of MPPT methods performance when applied to commercial photovoltaic panels.
Cubas, Javier; Pindado, Santiago; Sanz-Andrés, Ángel
A new, simple, and quick-calculation methodology to obtain a solar panel model, based on the manufacturers' datasheet, to perform MPPT simulations, is described. The method takes into account variations on the ambient conditions (sun irradiation and solar cells temperature) and allows fast MPPT methods comparison or their performance prediction when applied to a particular solar panel. The feasibility of the described methodology is checked with four different MPPT methods applied to a commercial solar panel, within a day, and under realistic ambient conditions.
Stabilizing potentials in bound state analytic continuation methods for electronic resonances in polyatomic molecules.
White, Alec F; Head-Gordon, Martin; McCurdy, C William
The computation of Siegert energies by analytic continuation of bound state energies has recently been applied to shape resonances in polyatomic molecules by several authors. We critically evaluate a recently proposed analytic continuation method based on low order (type III) Padé approximants as well as an analytic continuation method based on high order (type II) Padé approximants. We compare three classes of stabilizing potentials: Coulomb potentials, Gaussian potentials, and attenuated Coulomb potentials. These methods are applied to a model potential where the correct answer is known exactly and to the Πg2 shape resonance of N2(-) which has been studied extensively by other methods. Both the choice of stabilizing potential and method of analytic continuation prove to be important to the accuracy of the results. We conclude that an attenuated Coulomb potential is the most effective of the three for bound state analytic continuation methods. With the proper potential, such methods show promise for algorithmic determination of the positions and widths of molecular shape resonances.
Stabilizing potentials in bound state analytic continuation methods for electronic resonances in polyatomic molecules
NASA Astrophysics Data System (ADS)
White, Alec F.; Head-Gordon, Martin; McCurdy, C. William
The computation of Siegert energies by analytic continuation of bound state energies has recently been applied to shape resonances in polyatomic molecules by several authors. We critically evaluate a recently proposed analytic continuation method based on low order (type III) Padé approximants as well as an analytic continuation method based on high order (type II) Padé approximants. We compare three classes of stabilizing potentials: Coulomb potentials, Gaussian potentials, and attenuated Coulomb potentials. These methods are applied to a model potential where the correct answer is known exactly and to the Π2g shape resonance of N2- which has been studied extensively by other methods. Both the choice of stabilizing potential and method of analytic continuation prove to be important to the accuracy of the results. We conclude that an attenuated Coulomb potential is the most effective of the three for bound state analytic continuation methods. With the proper potential, such methods show promise for algorithmic determination of the positions and widths of molecular shape resonances.
Waste Tank Organic Safety Program: Analytical methods development. Progress report, FY 1994
Campbell, J.A.; Clauss, S.A.; Grant, K.E.
The objectives of this task are to develop and document extraction and analysis methods for organics in waste tanks, and to extend these methods to the analysis of actual core samples to support the Waste Tank organic Safety Program. This report documents progress at Pacific Northwest Laboratory (a) during FY 1994 on methods development, the analysis of waste from Tank 241-C-103 (Tank C-103) and T-111, and the transfer of documented, developed analytical methods to personnel in the Analytical Chemistry Laboratory (ACL) and 222-S laboratory. This report is intended as an annual report, not a completed work.
Three-Signal Method for Accurate Measurements of Depolarization Ratio with Lidar
NASA Technical Reports Server (NTRS)
Reichardt, Jens; Baumgart, Rudolf; McGee, Thomsa J.
A method is presented that permits the determination of atmospheric depolarization-ratio profiles from three elastic-backscatter lidar signals with different sensitivity to the state of polarization of the backscattered light. The three-signal method is insensitive to experimental errors and does not require calibration of the measurement, which could cause large systematic uncertainties of the results, as is the case in the lidar technique conventionally used for the observation of depolarization ratios.
An accurate method for evaluating the kernel of the integral equation relating lift to downwash in unsteady potential flow
NASA Technical Reports Server (NTRS)
Desmarais, R. N.
The method is capable of generating approximations of arbitrary accuracy. It is based on approximating the algebraic part of the nonelementary integrals in the kernel by exponential functions and then integrating termwise. The exponent spacing in the approximation is a geometric sequence. The coefficients and exponent multiplier of the exponential approximation are computed by least squares so the method is completely automated. Exponential approximates generated in this manner are two orders of magnitude more accurate than the exponential approximation that is currently most often used for this purpose. The method can be used to generate approximations to attain any desired trade-off between accuracy and computing cost.
Determination of nifuroxazide and drotaverine hydrochloride in pharmaceutical preparations by three independent analytical methods.
Metwally, Fadia H; Abdelkawy, Mohammed; Naguib, Ibrahim A
Three new, different, simple, sensitive, and accurate methods were developed for quantitative determination of nifuroxazide (I) and drotaverine hydrochloride (II) in a binary mixture. The first method was spectrophotometry, which allowed determination of I in the presence of II using a zero-order spectrum with an analytically useful maximum at 364.5 nm that obeyed Beer's law over a concentration range of 2-10 microg/mL with mean percentage recovery of 100.08 +/- 0.61. Determination of II in presence of I was obtained by second derivative spectrophotometry at 243.6 nm, which obeyed Beer's law over a concentration range of 2-10 microg/mL with mean recovery of 99.82 +/- 1.46%. The second method was spectrodensitometry, with which both drugs were separated on a silica gel plate using chloroform-acetone-methanol-glacial acetic acid (6 + 3 + 0.9 + 0.1) as the mobile phase and ultraviolet (UV) detection at 365 nm over a concentration range of 0.2-1 microg/band for both drugs, with mean recoveries of 99.99 +/- 0.15 and 100.00 +/- 0.34% for I and II, respectively. The third method was reversed-phase liquid chromatography using acetonitrile-water (40 + 60, v/v; adjusted to pH 2.55 with orthophosphoric acid) as the mobile phase and pentoxifylline as the internal standard at a flow rate of 1 mU/min with UV detection at 285 nm at ambient temperature over a concentration range of 2-10 microg/mL for both drugs, with mean recoveries of 100.24 +/- 1.51 and 100.08 +/- 0.78% for I and II, respectively. The proposed methods were checked using laboratory-prepared mixtures and were successfully applied for the analysis of pharmaceutical formulations containing the above drugs with no interference from other dosage form additives. The validity of the suggested procedures was further assessed by applying the standard addition technique which was found to be satisfactory, and the percentage recoveries obtained were in accordance with those given by the EVA Pharma reference
An accurate and efficient computation method of the hydration free energy of a large, complex molecule.
Yoshidome, Takashi; Ekimoto, Toru; Matubayasi, Nobuyuki; Harano, Yuichi; Kinoshita, Masahiro; Ikeguchi, Mitsunori
The hydration free energy (HFE) is a crucially important physical quantity to discuss various chemical processes in aqueous solutions. Although an explicit-solvent computation with molecular dynamics (MD) simulations is a preferable treatment of the HFE, huge computational load has been inevitable for large, complex solutes like proteins. In the present paper, we propose an efficient computation method for the HFE. In our method, the HFE is computed as a sum of 〈UUV〉/2 (〈UUV〉 is the ensemble average of the sum of pair interaction energy between solute and water molecule) and the water reorganization term mainly reflecting the excluded volume effect. Since 〈UUV〉 can readily be computed through a MD of the system composed of solute and water, an efficient computation of the latter term leads to a reduction of computational load. We demonstrate that the water reorganization term can quantitatively be calculated using the morphometric approach (MA) which expresses the term as the linear combinations of the four geometric measures of a solute and the corresponding coefficients determined with the energy representation (ER) method. Since the MA enables us to finish the computation of the solvent reorganization term in less than 0.1 s once the coefficients are determined, the use of the MA enables us to provide an efficient computation of the HFE even for large, complex solutes. Through the applications, we find that our method has almost the same quantitative performance as the ER method with substantial reduction of the computational load.
Highly effective and accurate weak point monitoring method for advanced design rule (1x nm) devices
NASA Astrophysics Data System (ADS)
Ahn, Jeongho; Seong, ShiJin; Yoon, Minjung; Park, Il-Suk; Kim, HyungSeop; Ihm, Dongchul; Chin, Soobok; Sivaraman, Gangadharan; Li, Mingwei; Babulnath, Raghav; Lee, Chang Ho; Kurada, Satya; Brown, Christine; Galani, Rajiv; Kim, JaeHyun
Historically when we used to manufacture semiconductor devices for 45 nm or above design rules, IC manufacturing yield was mainly determined by global random variations and therefore the chip manufacturers / manufacturing team were mainly responsible for yield improvement. With the introduction of sub-45 nm semiconductor technologies, yield started to be dominated by systematic variations, primarily centered on resolution problems, copper/low-k interconnects and CMP. These local systematic variations, which have become decisively greater than global random variations, are design-dependent [1, 2] and therefore designers now share the responsibility of increasing yield with manufacturers / manufacturing teams. A widening manufacturing gap has led to a dramatic increase in design rules that are either too restrictive or do not guarantee a litho/etch hotspot-free design. The semiconductor industry is currently limited to 193 nm scanners and no relief is expected from the equipment side to prevent / eliminate these systematic hotspots. Hence we have seen a lot of design houses coming up with innovative design products to check hotspots based on model based lithography checks to validate design manufacturability, which will also account for complex two-dimensional effects that stem from aggressive scaling of 193 nm lithography. Most of these hotspots (a.k.a., weak points) are especially seen on Back End of the Line (BEOL) process levels like Mx ADI, Mx Etch and Mx CMP. Inspecting some of these BEOL levels can be extremely challenging as there are lots of wafer noises or nuisances that can hinder an inspector's ability to detect and monitor the defects or weak points of interest. In this work we have attempted to accurately inspect the weak points using a novel broadband plasma optical inspection approach that enhances defect signal from patterns of interest (POI) and precisely suppresses surrounding wafer noises. This new approach is a paradigm shift in wafer inspection
Third-order-accurate numerical methods for efficient, large time-step solutions of mixed linear and nonlinear problems
Cobb, J.W.
There is an increasing need for more accurate numerical methods for large-scale nonlinear magneto-fluid turbulence calculations. These methods should not only increase the current state of the art in terms of accuracy, but should also continue to optimize other desired properties such as simplicity, minimized computation, minimized memory requirements, and robust stability. This includes the ability to stably solve stiff problems with long time-steps. This work discusses a general methodology for deriving higher-order numerical methods. It also discusses how the selection of various choices can affect the desired properties. The explicit discussion focuses on third-order Runge-Kutta methods, including general solutions and five examples. The study investigates the linear numerical analysis of these methods, including their accuracy, general stability, and stiff stability. Additional appendices discuss linear multistep methods, discuss directions for further work, and exhibit numerical analysis results for some other commonly used lower-order methods.
An Accurate Method for Free Vibration Analysis of Structures with Application to Plates
NASA Astrophysics Data System (ADS)
In this work, the continuous element method which has been used as an alternative to the finite element method of vibration analysis of frames is applied to more general structures like 3-D continuum and rectangular plates. The method is based on the concept of the so-called impedance matrix giving in the frequency domain, the linear relation between the generalized displacements of the boundaries and the generalized forces exerted on these boundaries. For a 3-D continuum, the concept of impedance matrix is introduced assuming a particular kind of boundary conditions. For rectangular plates, this new development leads to the solution of vibration problems for boundary conditions other than the simply supported ones.
A new method based on the subpixel Gaussian model for accurate estimation of asteroid coordinates
NASA Astrophysics Data System (ADS)
Savanevych, V. E.; Briukhovetskyi, O. B.; Sokovikova, N. S.; Bezkrovny, M. M.; Vavilova, I. B.; Ivashchenko, Yu. M.; Elenin, L. V.; Khlamov, S. V.; Movsesian, Ia. S.; Dashkova, A. M.; Pogorelov, A. V.
We describe a new iteration method to estimate asteroid coordinates, based on a subpixel Gaussian model of the discrete object image. The method operates by continuous parameters (asteroid coordinates) in a discrete observational space (the set of pixel potentials) of the CCD frame. In this model, the kind of coordinate distribution of the photons hitting a pixel of the CCD frame is known a priori, while the associated parameters are determined from a real digital object image. The method that is developed, which is flexible in adapting to any form of object image, has a high measurement accuracy along with a low calculating complexity, due to the maximum-likelihood procedure that is implemented to obtain the best fit instead of a least-squares method and Levenberg-Marquardt algorithm for minimization of the quadratic form. Since 2010, the method has been tested as the basis of our Collection Light Technology (COLITEC) software, which has been installed at several observatories across the world with the aim of the automatic discovery of asteroids and comets in sets of CCD frames. As a result, four comets (C/2010 X1 (Elenin), P/2011 NO1(Elenin), C/2012 S1 (ISON) and P/2013 V3 (Nevski)) as well as more than 1500 small Solar system bodies (including five near-Earth objects (NEOs), 21 Trojan asteroids of Jupiter and one Centaur object) have been discovered. We discuss these results, which allowed us to compare the accuracy parameters of the new method and confirm its efficiency. In 2014, the COLITEC software was recommended to all members of the Gaia-FUN-SSO network for analysing observations as a tool to detect faint moving objects in frames.
Direct Coupling Method for Time-Accurate Solution of Incompressible Navier-Stokes Equations
NASA Technical Reports Server (NTRS)
Soh, Woo Y.
A noniterative finite difference numerical method is presented for the solution of the incompressible Navier-Stokes equations with second order accuracy in time and space. Explicit treatment of convection and diffusion terms and implicit treatment of the pressure gradient give a single pressure Poisson equation when the discretized momentum and continuity equations are combined. A pressure boundary condition is not needed on solid boundaries in the staggered mesh system. The solution of the pressure Poisson equation is obtained directly by Gaussian elimination. This method is tested on flow problems in a driven cavity and a curved duct.
A novel method to accurately locate and count large numbers of steps by photobleaching
Tsekouras, Konstantinos; Custer, Thomas C.; Jashnsaz, Hossein; Walter, Nils G.; Pressé, Steve
Photobleaching event counting is a single-molecule fluorescence technique that is increasingly being used to determine the stoichiometry of protein and RNA complexes composed of many subunits in vivo as well as in vitro. By tagging protein or RNA subunits with fluorophores, activating them, and subsequently observing as the fluorophores photobleach, one obtains information on the number of subunits in a complex. The noise properties in a photobleaching time trace depend on the number of active fluorescent subunits. Thus, as fluorophores stochastically photobleach, noise properties of the time trace change stochastically, and these varying noise properties have created a challenge in identifying photobleaching steps in a time trace. Although photobleaching steps are often detected by eye, this method only works for high individual fluorophore emission signal-to-noise ratios and small numbers of fluorophores. With filtering methods or currently available algorithms, it is possible to reliably identify photobleaching steps for up to 20–30 fluorophores and signal-to-noise ratios down to ∼1. Here we present a new Bayesian method of counting steps in photobleaching time traces that takes into account stochastic noise variation in addition to complications such as overlapping photobleaching events that may arise from fluorophore interactions, as well as on-off blinking. Our method is capable of detecting ≥50 photobleaching steps even for signal-to-noise ratios as low as 0.1, can find up to ≥500 steps for more favorable noise profiles, and is computationally inexpensive. PMID:27654946
Highly Accurate Beam Torsion Solutions Using the p-Version Finite Element Method
NASA Technical Reports Server (NTRS)
Smith, James P.
A new treatment of the classical beam torsion boundary value problem is applied. Using the p-version finite element method with shape functions based on Legendre polynomials, torsion solutions for generic cross-sections comprised of isotropic materials are developed. Element shape functions for quadrilateral and triangular elements are discussed, and numerical examples are provided.
A Robust Method of Vehicle Stability Accurate Measurement Using GPS and INS
NASA Astrophysics Data System (ADS)
Miao, Zhibin; Zhang, Hongtian; Zhang, Jinzhu
With the development of the vehicle industry, controlling stability has become more and more important. Techniques of evaluating vehicle stability are in high demand. Integration of Global Positioning System (GPS) and Inertial Navigation System (INS) is a very practical method to get high-precision measurement data. Usually, the Kalman filter is used to fuse the data from GPS and INS. In this paper, a robust method is used to measure vehicle sideslip angle and yaw rate, which are two important parameters for vehicle stability. First, a four-wheel vehicle dynamic model is introduced, based on sideslip angle and yaw rate. Second, a double level Kalman filter is established to fuse the data from Global Positioning System and Inertial Navigation System. Then, this method is simulated on a sample vehicle, using Carsim software to test the sideslip angle and yaw rate. Finally, a real experiment is made to verify the advantage of this approach. The experimental results showed the merits of this method of measurement and estimation, and the approach can meet the design requirements of the vehicle stability controller.
A second-order accurate immersed boundary-lattice Boltzmann method for particle-laden flows
NASA Astrophysics Data System (ADS)
Zhou, Qiang; Fan, Liang-Shih
A new immersed boundary-lattice Boltzmann method (IB-LBM) is presented for fully resolved simulations of incompressible viscous flows laden with rigid particles. The immersed boundary method (IBM) recently developed by Breugem (2012) [19] is adopted in the present method, development including the retraction technique, the multi-direct forcing method and the direct account of the inertia of the fluid contained within the particles. The present IB-LBM is, however, formulated with further improvement with the implementation of the high-order Runge-Kutta schemes in the coupled fluid-particle interaction. The major challenge to implement high-order Runge-Kutta schemes in the LBM is that the flow information such as density and velocity cannot be directly obtained at a fractional time step from the LBM since the LBM only provides the flow information at an integer time step. This challenge can be, however, overcome as given in the present IB-LBM by extrapolating the flow field around particles from the known flow field at the previous integer time step. The newly calculated fluid-particle interactions from the previous fractional time steps of the current integer time step are also accounted for in the extrapolation. The IB-LBM with high-order Runge-Kutta schemes developed in this study is validated by several benchmark applications. It is demonstrated, for the first time, that the IB-LBM has the capacity to resolve the translational and rotational motion of particles with the second-order accuracy. The optimal retraction distances for spheres and tubes that help the method achieve the second-order accuracy are found to be around 0.30 and -0.47 times of the lattice spacing, respectively. Simulations of the Stokes flow through a simple cubic lattice of rotational spheres indicate that the lift force produced by the Magnus effect can be very significant in view of the magnitude of the drag force when the practical rotating speed of the spheres is encountered. This finding
A new noninvasive method for the accurate and precise assessment of varicose vein diameters.
Baldassarre, Damiano; Pustina, Linda; Castelnuovo, Samuela; Bondioli, Alighiero; Carlà, Matteo; Sirtori, Cesare R
The feasibility and reproducibility of a new ultrasonic method for the direct assessment of maximal varicose vein diameter (VVD) were evaluated. A study was also performed to demonstrate the capacity of the method to detect changes in venous diameter induced by a pharmacologic treatment. Patients with varicose vein disease were recruited. A method that allows the precise positioning of patient and transducer and performance of scans in a gel-bath was developed. Maximal VVD was recorded both in the standing and supine positions. The intraassay reproducibility was determined by replicate scans made within 15 minutes in both positions. The interobserver variability was assessed by comparing VVDs measured during the first phase baseline examination with those obtained during baseline examinations in the second phase of the study. The error in reproducibility of VVD determinations was 5.3% when diameters were evaluated in the standing position and 6.4% when assessed in the supine position. The intramethod agreement was high, with a bias between readings of 0.06 +/- 0.18 mm and of -0.02 +/- 0.19 mm, respectively, in standing and supine positions. Correlation coefficients were better than 0.99 in both positions. The method appears to be sensitive enough to detect small changes in VVDs induced by treatments. The proposed technique provides a tool of potential valid use in the detection and in vivo monitoring of VVD changes in patients with varicose vein disease. The method offers an innovative approach to obtain a quantitative assessment of varicose vein progression and of treatment effects, thus providing a basis for epidemiologic surveys.
The Influence Relevance Voter: An Accurate And Interpretable Virtual High Throughput Screening Method
Swamidass, S. Joshua; Azencott, Chloé-Agathe; Lin, Ting-Wan; Gramajo, Hugo; Tsai, Sheryl; Baldi, Pierre
Given activity training data from Hight-Throughput Screening (HTS) experiments, virtual High-Throughput Screening (vHTS) methods aim to predict in silico the activity of untested chemicals. We present a novel method, the Influence Relevance Voter (IRV), specifically tailored for the vHTS task. The IRV is a low-parameter neural network which refines a k-nearest neighbor classifier by non-linearly combining the influences of a chemical's neighbors in the training set. Influences are decomposed, also non-linearly, into a relevance component and a vote component. The IRV is benchmarked using the data and rules of two large, open, competitions, and its performance compared to the performance of other participating methods, as well as of an in-house Support Vector Machine (SVM) method. On these benchmark datasets, IRV achieves state-of-the-art results, comparable to the SVM in one case, and significantly better than the SVM in the other, retrieving three times as many actives in the top 1% of its prediction-sorted list. The IRV presents several other important advantages over SVMs and other methods: (1) the output predictions have a probabilistic semantic; (2) the underlying inferences are interpretable; (3) the training time is very short, on the order of minutes even for very large data sets; (4) the risk of overfitting is minimal, due to the small number of free parameters; and (5) additional information can easily be incorporated into the IRV architecture. Combined with its performance, these qualities make the IRV particularly well suited for vHTS. PMID:19391629
A Time-Accurate Upwind Unstructured Finite Volume Method for Compressible Flow with Cure of Pathological Behaviors
NASA Technical Reports Server (NTRS)
Loh, Ching Y.; Jorgenson, Philip C. E.
A time-accurate, upwind, finite volume method for computing compressible flows on unstructured grids is presented. The method is second order accurate in space and time and yields high resolution in the presence of discontinuities. For efficiency, the Roe approximate Riemann solver with an entropy correction is employed. In the basic Euler/Navier-Stokes scheme, many concepts of high order upwind schemes are adopted: the surface flux integrals are carefully treated, a Cauchy-Kowalewski time-stepping scheme is used in the time-marching stage, and a multidimensional limiter is applied in the reconstruction stage. However even with these up-to-date improvements, the basic upwind scheme is still plagued by the so-called "pathological behaviors," e.g., the carbuncle phenomenon, the expansion shock, etc. A solution to these limitations is presented which uses a very simple dissipation model while still preserving second order accuracy. This scheme is referred to as the enhanced time-accurate upwind (ETAU) scheme in this paper. The unstructured grid capability renders flexibility for use in complex geometry; and the present ETAU Euler/Navier-Stokes scheme is capable of handling a broad spectrum of flow regimes from high supersonic to subsonic at very low Mach number, appropriate for both CFD (computational fluid dynamics) and CAA (computational aeroacoustics). Numerous examples are included to demonstrate the robustness of the methods.
Prescribing a multistage analytical method to a prey predator dynamical system
NASA Astrophysics Data System (ADS)
Goh, S. M.; Noorani, M. S. M.; Hashim, I.
This article discusses the effectiveness of a fresh analytical method in solving a prey-predator problem, which is described as a system of two nonlinear ordinary differential equations. The method of interest is the multistage variational iteration method (MVIM), which provides a slight modification of the classical variational iteration method (VIM). We shall compare solutions of the classical VIM along with MVIM and match them against the conventional numerical method, Runge-Kutta (RK4) (fourth-order).
An accurate and efficient acoustic eigensolver based on a fast multipole BEM and a contour integral method
NASA Astrophysics Data System (ADS)
Zheng, Chang-Jun; Gao, Hai-Feng; Du, Lei; Chen, Hai-Bo; Zhang, Chuanzeng
An accurate numerical solver is developed in this paper for eigenproblems governed by the Helmholtz equation and formulated through the boundary element method. A contour integral method is used to convert the nonlinear eigenproblem into an ordinary eigenproblem, so that eigenvalues can be extracted accurately by solving a set of standard boundary element systems of equations. In order to accelerate the solution procedure, the parameters affecting the accuracy and efficiency of the method are studied and two contour paths are compared. Moreover, a wideband fast multipole method is implemented with a block IDR (s) solver to reduce the overall solution cost of the boundary element systems of equations with multiple right-hand sides. The Burton-Miller formulation is employed to identify the fictitious eigenfrequencies of the interior acoustic problems with multiply connected domains. The actual effect of the Burton-Miller formulation on tackling the fictitious eigenfrequency problem is investigated and the optimal choice of the coupling parameter as α = i / k is confirmed through exterior sphere examples. Furthermore, the numerical eigenvalues obtained by the developed method are compared with the results obtained by the finite element method to show the accuracy and efficiency of the developed method.
Selenium contaminated waters: An overview of analytical methods, treatment options and recent advances in sorption methods.
Santos, Sílvia; Ungureanu, Gabriela; Boaventura, Rui; Botelho, Cidália
Selenium is an essential trace element for many organisms, including humans, but it is bioaccumulative and toxic at higher than homeostatic levels. Both selenium deficiency and toxicity are problems around the world. Mines, coal-fired power plants, oil refineries and agriculture are important examples of anthropogenic sources, generating contaminated waters and wastewaters. For reasons of human health and ecotoxicity, selenium concentration has to be controlled in drinking-water and in wastewater, as it is a potential pollutant of water bodies. This review article provides firstly a general overview about selenium distribution, sources, chemistry, toxicity and environmental impact. Analytical techniques used for Se determination and speciation and water and wastewater treatment options are reviewed. In particular, published works on adsorption as a treatment method for Se removal from aqueous solutions are critically analyzed. Recent published literature has given particular attention to the development and search for effective adsorbents, including low-cost alternative materials. Published works mostly consist in exploratory findings and laboratory-scale experiments. Binary metal oxides and LDHs (layered double hydroxides) have presented excellent adsorption capacities for selenium species. Unconventional sorbents (algae, agricultural wastes and other biomaterials), in raw or modified forms, have also led to very interesting results with the advantage of their availability and low-cost. Some directions to be considered in future works are also suggested.
Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method
Sinha, Debalina; Pavanello, Michele
The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term the Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.
Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method.
Sinha, Debalina; Pavanello, Michele
The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term the Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.
A Variable Coefficient Method for Accurate Monte Carlo Simulation of Dynamic Asset Price
NASA Astrophysics Data System (ADS)
Li, Yiming; Hung, Chih-Young; Yu, Shao-Ming; Chiang, Su-Yun; Chiang, Yi-Hui; Cheng, Hui-Wen
In this work, we propose an adaptive Monte Carlo (MC) simulation technique to compute the sample paths for the dynamical asset price. In contrast to conventional MC simulation with constant drift and volatility (μ,σ), our MC simulation is performed with variable coefficient methods for (μ,σ) in the solution scheme, where the explored dynamic asset pricing model starts from the formulation of geometric Brownian motion. With the method of simultaneously updated (μ,σ), more than 5,000 runs of MC simulation are performed to fulfills basic accuracy of the large-scale computation and suppresses statistical variance. Daily changes of stock market index in Taiwan and Japan are investigated and analyzed.
Computer-implemented system and method for automated and highly accurate plaque analysis, reporting, and visualization
NASA Technical Reports Server (NTRS)
Kemp, James Herbert (Inventor); Talukder, Ashit (Inventor); Lambert, James (Inventor); Lam, Raymond (Inventor)
A computer-implemented system and method of intra-oral analysis for measuring plaque removal is disclosed. The system includes hardware for real-time image acquisition and software to store the acquired images on a patient-by-patient basis. The system implements algorithms to segment teeth of interest from surrounding gum, and uses a real-time image-based morphing procedure to automatically overlay a grid onto each segmented tooth. Pattern recognition methods are used to classify plaque from surrounding gum and enamel, while ignoring glare effects due to the reflection of camera light and ambient light from enamel regions. The system integrates these components into a single software suite with an easy-to-use graphical user interface (GUI) that allows users to do an end-to-end run of a patient record, including tooth segmentation of all teeth, grid morphing of each segmented tooth, and plaque classification of each tooth image.
Methods to achieve accurate projection of regional and global raster databases
Usery, E.L.; Seong, J.C.; Steinwand, D.R.; Finn, M.P.
This research aims at building a decision support system (DSS) for selecting an optimum projection considering various factors, such as pixel size, areal extent, number of categories, spatial pattern of categories, resampling methods, and error correction methods. Specifically, this research will investigate three goals theoretically and empirically and, using the already developed empirical base of knowledge with these results, develop an expert system for map projection of raster data for regional and global database modeling. The three theoretical goals are as follows: (1) The development of a dynamic projection that adjusts projection formulas for latitude on the basis of raster cell size to maintain equal-sized cells. (2) The investigation of the relationships between the raster representation and the distortion of features, number of categories, and spatial pattern. (3) The development of an error correction and resampling procedure that is based on error analysis of raster projection.
A second-order accurate immersed boundary-lattice Boltzmann method for particle-laden flows
Zhou, Qiang; Fan, Liang-Shih
A new immersed boundary-lattice Boltzmann method (IB-LBM) is presented for fully resolved simulations of incompressible viscous flows laden with rigid particles. The immersed boundary method (IBM) recently developed by Breugem (2012) [19] is adopted in the present method, development including the retraction technique, the multi-direct forcing method and the direct account of the inertia of the fluid contained within the particles. The present IB-LBM is, however, formulated with further improvement with the implementation of the high-order Runge–Kutta schemes in the coupled fluid–particle interaction. The major challenge to implement high-order Runge–Kutta schemes in the LBM is that the flow information such as density and velocity cannot be directly obtained at a fractional time step from the LBM since the LBM only provides the flow information at an integer time step. This challenge can be, however, overcome as given in the present IB-LBM by extrapolating the flow field around particles from the known flow field at the previous integer time step. The newly calculated fluid–particle interactions from the previous fractional time steps of the current integer time step are also accounted for in the extrapolation. The IB-LBM with high-order Runge–Kutta schemes developed in this study is validated by several benchmark applications. It is demonstrated, for the first time, that the IB-LBM has the capacity to resolve the translational and rotational motion of particles with the second-order accuracy. The optimal retraction distances for spheres and tubes that help the method achieve the second-order accuracy are found to be around 0.30 and −0.47 times of the lattice spacing, respectively. Simulations of the Stokes flow through a simple cubic lattice of rotational spheres indicate that the lift force produced by the Magnus effect can be very significant in view of the magnitude of the drag force when the practical rotating speed of the spheres is encountered
Empirical and accurate method for the three-dimensional electrostatic potential (EM-ESP) of biomolecules.
Du, Qi-Shi; Wang, Cheng-Hua; Wang, Yu-Ting; Huang, Ri-Bo
The electrostatic potential (ESP) is an important property of interactions within and between macromolecules, including those of importance in the life sciences. Semiempirical quantum chemical methods and classical Coulomb calculations fail to provide even qualitative ESP for many of these biomolecules. A new empirical ESP calculation method, namely, EM-ESP, is developed in this study, in which the traditional approach of point atomic charges and the classical Coulomb equation is discarded. In its place, the EM-ESP generates a three-dimensional electrostatic potential V(EM)(r) in molecular space that is the sum of contributions from all component atoms. The contribution of an atom k is formulated as a Gaussian function g(r(k);alpha(k),beta(k)) = alpha(k)/r(k)(betak) with two parameters (alpha(k) and beta(k)). The benchmark for the parameter optimization is the ESP obtained by using higher-level quantum chemical approaches (e.g., CCSD/TZVP). A set of atom-based parameters is optimized in a training set of common organic molecules. Calculated examples demonstrate that the EM-ESP approach is a vast improvement over the Coulombic approach in producing the molecular ESP contours that are comparable to the results obtained with higher-level quantum chemical methods. The atom-based parameters are shown to be transferrable between one part of closely related aromatic molecules. The atom-based ESP formulization and parametrization strategy can be extended to biological macromolecules, such as proteins, DNA, and RNA molecules. Since ESP is frequently used to rationalize and predict intermolecular interactions, we expect that the EM-ESP method will have important applications for studies of protein-ligand and protein-protein interactions in numerous areas of chemistry, molecular biology, and other life sciences.
Computational methods toward accurate RNA structure prediction using coarse-grained and all-atom models.
Krokhotin, Andrey; Dokholyan, Nikolay V
Computational methods can provide significant insights into RNA structure and dynamics, bridging the gap in our understanding of the relationship between structure and biological function. Simulations enrich and enhance our understanding of data derived on the bench, as well as provide feasible alternatives to costly or technically challenging experiments. Coarse-grained computational models of RNA are especially important in this regard, as they allow analysis of events occurring in timescales relevant to RNA biological function, which are inaccessible through experimental methods alone. We have developed a three-bead coarse-grained model of RNA for discrete molecular dynamics simulations. This model is efficient in de novo prediction of short RNA tertiary structure, starting from RNA primary sequences of less than 50 nucleotides. To complement this model, we have incorporated additional base-pairing constraints and have developed a bias potential reliant on data obtained from hydroxyl probing experiments that guide RNA folding to its correct state. By introducing experimentally derived constraints to our computer simulations, we are able to make reliable predictions of RNA tertiary structures up to a few hundred nucleotides. Our refined model exemplifies a valuable benefit achieved through integration of computation and experimental methods.
EEMD based pitch evaluation method for accurate grating measurement by AFM
NASA Astrophysics Data System (ADS)
Li, Changsheng; Yang, Shuming; Wang, Chenying; Jiang, Zhuangde
The pitch measurement and AFM calibration precision are significantly influenced by the grating pitch evaluation method. This paper presents the ensemble empirical mode decomposition (EEMD) based pitch evaluation method to relieve the accuracy deterioration caused by high and low frequency components of scanning profile during pitch evaluation. The simulation analysis shows that the application of EEMD can improve the pitch accuracy of the FFT-FT algorithm. The pitch error is small when the iteration number of the FFT-FT algorithms was 8. The AFM measurement of the 500 nm-pitch one-dimensional grating shows that the EEMD based pitch evaluation method could improve the pitch precision, especially the grating line position precision, and greatly expand the applicability of the gravity center algorithm when particles and impression marks were distributed on the sample surface. The measurement indicates that the nonlinearity was stable, and the nonlinearity of x axis and forward scanning was much smaller than their counterpart. Finally, a detailed pitch measurement uncertainty evaluation model suitable for commercial AFMs was demonstrated and a pitch uncertainty in the sub-nanometer range was achieved. The pitch uncertainty was reduced about 10% by EEMD.
Highly accurate spatial mode generation using spatial cross modulation method for mode division multiplexing
NASA Astrophysics Data System (ADS)
Sakuma, Hiroki; Okamoto, Atsushi; Shibukawa, Atsushi; Goto, Yuta; Tomita, Akihisa
We propose a spatial mode generation technology using spatial cross modulation (SCM) for mode division multiplexing (MDM). The most well-known method for generating arbitrary complex amplitude fields is to display an off-axis computer-generated hologram (CGH) on a spatial light modulator (SLM). However, in this method, a desired complex amplitude field is obtained with first order diffraction light. This critically lowers the light utilization efficiency. On the other hand, in the SCM, the desired complex field is provided with zeroth order diffraction light. For this reason, our technology can generate spatial modes with large light utilization efficiency in addition to high accuracy. In this study, first, a numerical simulation was performed to verify that the SCM is applicable for spatial mode generation. Next, we made a comparison from two view points of the coupling efficiency and the light utilization between our technology and the technology using an off-axis amplitude hologram as a representative complex amplitude generation method. The simulation results showed that our technology can achieve considerably high light utilization efficiency while maintaining the enough coupling efficiency comparable to the technology using an off-axis amplitude hologram. Finally, we performed an experiment on spatial modes generation using the SCM. Experimental results showed that our technology has the great potential to realize the spatial mode generation with high accuracy.
Quantitative 1H NMR: Development and Potential of an Analytical Method – an Update
Pauli, Guido F.; Gödecke, Tanja; Jaki, Birgit U.; Lankin, David C.
Covering the literature from mid-2004 until the end of 2011, this review continues a previous literature overview on quantitative 1H NMR (qHNMR) methodology and its applications in the analysis of natural products (NPs). Among the foremost advantages of qHNMR is its accurate function with external calibration, the lack of any requirement for identical reference materials, a high precision and accuracy when properly validated, and an ability to quantitate multiple analytes simultaneously. As a result of the inclusion of over 170 new references, this updated review summarizes a wealth of detailed experiential evidence and newly developed methodology that supports qHNMR as a valuable and unbiased analytical tool for natural product and other areas of research. PMID:22482996
System and Method for Providing a Climate Data Analytic Services Application Programming Interface Distribution Package
NASA Technical Reports Server (NTRS)
Schnase, John L. (Inventor); Duffy, Daniel Q. (Inventor); Tamkin, Glenn S. (Inventor)
A system, method and computer-readable storage devices for providing a climate data analytic services application programming interface distribution package. The example system can provide various components. The system provides a climate data analytic services application programming interface library that enables software applications running on a client device to invoke the capabilities of a climate data analytic service. The system provides a command-line interface that provides a means of interacting with a climate data analytic service by issuing commands directly to the system's server interface. The system provides sample programs that call on the capabilities of the application programming interface library and can be used as templates for the construction of new client applications. The system can also provide test utilities, build utilities, service integration utilities, and documentation.
An Accurate Calibration Method Based on Velocity in a Rotational Inertial Navigation System.
Zhang, Qian; Wang, Lei; Liu, Zengjun; Feng, Peide
Rotation modulation is an effective method to enhance the accuracy of an inertial navigation system (INS) by modulating the gyroscope drifts and accelerometer bias errors into periodically varying components. The typical RINS drives the inertial measurement unit (IMU) rotation along the vertical axis and the horizontal sensors' errors are modulated, however, the azimuth angle error is closely related to vertical gyro drift, and the vertical gyro drift also should be modulated effectively. In this paper, a new rotation strategy in a dual-axis rotational INS (RINS) is proposed and the drifts of three gyros could be modulated, respectively. Experimental results from a real dual-axis RINS demonstrate that the maximum azimuth angle error is decreased from 0.04° to less than 0.01° during 1 h. Most importantly, the changing of rotation strategy leads to some additional errors in the velocity which is unacceptable in a high-precision INS. Then the paper studies the basic reason underlying horizontal velocity errors in detail and a relevant new calibration method is designed. Experimental results show that after calibration and compensation, the fluctuation and stages in the velocity curve disappear and velocity precision is improved.
An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyes.
Wang, Jia-Nan; Jin, Jun-Ling; Geng, Yun; Sun, Shi-Ling; Xu, Hong-Liang; Lu, Ying-Hua; Su, Zhong-Min
Recently, the extreme learning machine neural network (ELMNN) as a valid computing method has been proposed to predict the nonlinear optical property successfully (Wang et al., J. Comput. Chem. 2012, 33, 231). In this work, first, we follow this line of work to predict the electronic excitation energies using the ELMNN method. Significantly, the root mean square deviation of the predicted electronic excitation energies of 90 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) derivatives between the predicted and experimental values has been reduced to 0.13 eV. Second, four groups of molecule descriptors are considered when building the computing models. The results show that the quantum chemical descriptions have the closest intrinsic relation with the electronic excitation energy values. Finally, a user-friendly web server (EEEBPre: Prediction of electronic excitation energies for BODIPY dyes), which is freely accessible to public at the web site: http://18.104.22.168, has been built for prediction. This web server can return the predicted electronic excitation energy values of BODIPY dyes that are high consistent with the experimental values. We hope that this web server would be helpful to theoretical and experimental chemists in related research.
An Accurate Calibration Method Based on Velocity in a Rotational Inertial Navigation System
Zhang, Qian; Wang, Lei; Liu, Zengjun; Feng, Peide
Rotation modulation is an effective method to enhance the accuracy of an inertial navigation system (INS) by modulating the gyroscope drifts and accelerometer bias errors into periodically varying components. The typical RINS drives the inertial measurement unit (IMU) rotation along the vertical axis and the horizontal sensors' errors are modulated, however, the azimuth angle error is closely related to vertical gyro drift, and the vertical gyro drift also should be modulated effectively. In this paper, a new rotation strategy in a dual-axis rotational INS (RINS) is proposed and the drifts of three gyros could be modulated, respectively. Experimental results from a real dual-axis RINS demonstrate that the maximum azimuth angle error is decreased from 0.04° to less than 0.01° during 1 h. Most importantly, the changing of rotation strategy leads to some additional errors in the velocity which is unacceptable in a high-precision INS. Then the paper studies the basic reason underlying horizontal velocity errors in detail and a relevant new calibration method is designed. Experimental results show that after calibration and compensation, the fluctuation and stages in the velocity curve disappear and velocity precision is improved. PMID:26225983
A novel method for more accurately mapping the surface temperature of ultrasonic transducers.
Axell, Richard G; Hopper, Richard H; Jarritt, Peter H; Oxley, Chris H
This paper introduces a novel method for measuring the surface temperature of ultrasound transducer membranes and compares it with two standard measurement techniques. The surface temperature rise was measured as defined in the IEC Standard 60601-2-37. The measurement techniques were (i) thermocouple, (ii) thermal camera and (iii) novel infra-red (IR) "micro-sensor." Peak transducer surface measurements taken with the thermocouple and thermal camera were -3.7 ± 0.7 (95% CI)°C and -4.3 ± 1.8 (95% CI)°C, respectively, within the limits of the IEC Standard. Measurements taken with the novel IR micro-sensor exceeded these limits by 3.3 ± 0.9 (95% CI)°C. The ambiguity between our novel method and the standard techniques could have direct patient safety implications because the IR micro-sensor measurements were beyond set limits. The spatial resolution of the measurement technique is not well defined in the IEC Standard and this has to be taken into consideration when selecting which measurement technique is used to determine the maximum surface temperature.
A method for the accurate and smooth approximation of standard thermodynamic functions
NASA Astrophysics Data System (ADS)
Coufal, O.
A method is proposed for the calculation of approximations of standard thermodynamic functions. The method is consistent with the physical properties of standard thermodynamic functions. This means that the approximation functions are, in contrast to the hitherto used approximations, continuous and smooth in every temperature interval in which no phase transformations take place. The calculation algorithm was implemented by the SmoothSTF program in the C++ language which is part of this paper. Program summaryProgram title:SmoothSTF Catalogue identifier: AENH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AENH_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3807 No. of bytes in distributed program, including test data, etc.: 131965 Distribution format: tar.gz Programming language: C++. Computer: Any computer with gcc version 4.3.2 compiler. Operating system: Debian GNU Linux 6.0. The program can be run in operating systems in which the gcc compiler can be installed, see http://gcc.gnu.org/install/specific.html. RAM: 256 MB are sufficient for the table of standard thermodynamic functions with 500 lines Classification: 4.9. Nature of problem: Standard thermodynamic functions (STF) of individual substances are given by thermal capacity at constant pressure, entropy and enthalpy. STF are continuous and smooth in every temperature interval in which no phase transformations take place. The temperature dependence of STF as expressed by the table of its values is for further application approximated by temperature functions. In the paper, a method is proposed for calculating approximation functions which, in contrast to the hitherto used approximations, are continuous and smooth in every temperature interval. Solution method: The approximation functions are
Determinations of pesticides in food are often complicated by the presence of fats and require multiple cleanup steps before analysis. Cost-effective analytical methods are needed for conducting large-scale exposure studies. We examined two extraction methods, supercritical flu...
Flammable gas safety program. Analytical methods development: FY 1994 progress report
Campbell, J.A.; Clauss, S.; Grant, K.; Hoopes, V.; Lerner, B.; Lucke, R.; Mong, G.; Rau, J.; Wahl, K.; Steele, R.
This report describes the status of developing analytical methods to account for the organic components in Hanford waste tanks, with particular focus on tanks assigned to the Flammable Gas Watch List. The methods that have been developed are illustrated by their application to samples obtained from Tank 241-SY-101 (Tank 101-SY).
Study on Two Methods for Nonlinear Force-Free Extrapolation Based on Semi-Analytical Field
NASA Astrophysics Data System (ADS)
Liu, S.; Zhang, H. Q.; Su, J. T.; Song, M. T.
In this paper, two semi-analytical solutions of force-free fields (Low and Lou, Astrophys. J. 352, 343, 1990) have been used to test two nonlinear force-free extrapolation methods. One is the boundary integral equation (BIE) method developed by Yan and Sakurai ( Solar Phys. 195, 89, 2000), and the other is the approximate vertical integration (AVI) method developed by Song et al. ( Astrophys. J. 649, 1084, 2006). Some improvements have been made to the AVI method to avoid the singular points in the process of calculation. It is found that the correlation coefficients between the first semi-analytical field and extrapolated field using the BIE method, and also that obtained by the improved AVI method, are greater than 90% below a height 10 of the 64×64 lower boundary. For the second semi-analytical field, these correlation coefficients are greater than 80% below the same relative height. Although differences between the semi-analytical solutions and the extrapolated fields exist for both the BIE and AVI methods, these two methods can give reliable results for heights of about 15% of the extent of the lower boundary.
Contextual and Analytic Qualities of Research Methods Exemplified in Research on Teaching
ERIC Educational Resources Information Center
Svensson, Lennart; Doumas, Kyriaki
The aim of the present article is to discuss contextual and analytic qualities of research methods. The arguments are specified in relation to research on teaching. A specific investigation is used as an example to illustrate the general methodological approach. It is argued that research methods should be carefully grounded in an understanding of…
An Analytical Investigation of Three General Methods of Calculating Chemical-Equilibrium Compositions
NASA Technical Reports Server (NTRS)
Zeleznik, Frank J.; Gordon, Sanford
The Brinkley, Huff, and White methods for chemical-equilibrium calculations were modified and extended in order to permit an analytical comparison. The extended forms of these methods permit condensed species as reaction products, include temperature as a variable in the iteration, and permit arbitrary estimates for the variables. It is analytically shown that the three extended methods can be placed in a form that is independent of components. In this form the Brinkley iteration is identical computationally to the White method, while the modified Huff method differs only'slightly from these two. The convergence rates of the modified Brinkley and White methods are identical; and, further, all three methods are guaranteed to converge and will ultimately converge quadratically. It is concluded that no one of the three methods offers any significant computational advantages over the other two.
Assessment of a high-order accurate Discontinuous Galerkin method for turbomachinery flows
NASA Astrophysics Data System (ADS)
Bassi, F.; Botti, L.; Colombo, A.; Crivellini, A.; Franchina, N.; Ghidoni, A.
In this work the capabilities of a high-order Discontinuous Galerkin (DG) method applied to the computation of turbomachinery flows are investigated. The Reynolds averaged Navier-Stokes equations coupled with the two equations k-ω turbulence model are solved to predict the flow features, either in a fixed or rotating reference frame, to simulate the fluid flow around bodies that operate under an imposed steady rotation. To ensure, by design, the positivity of all thermodynamic variables at a discrete level, a set of primitive variables based on pressure and temperature logarithms is used. The flow fields through the MTU T106A low-pressure turbine cascade and the NASA Rotor 37 axial compressor have been computed up to fourth-order of accuracy and compared to the experimental and numerical data available in the literature.
Practical implementation of an accurate method for multilevel design sensitivity analysis
NASA Technical Reports Server (NTRS)
Nguyen, Duc T.
Solution techniques for handling large scale engineering optimization problems are reviewed. Potentials for practical applications as well as their limited capabilities are discussed. A new solution algorithm for design sensitivity is proposed. The algorithm is based upon the multilevel substructuring concept to be coupled with the adjoint method of sensitivity analysis. There are no approximations involved in the present algorithm except the usual approximations introduced due to the discretization of the finite element model. Results from the six- and thirty-bar planar truss problems show that the proposed multilevel scheme for sensitivity analysis is more effective (in terms of computer incore memory and the total CPU time) than a conventional (one level) scheme even on small problems. The new algorithm is expected to perform better for larger problems and its applications on the new generation of computer hardwares with 'parallel processing' capability is very promising.
An Inexpensive, Stable, and Accurate Relative Humidity Measurement Method for Challenging Environments.
Zhang, Wei; Ma, Hong; Yang, Simon X
In this research, an improved psychrometer is developed to solve practical issues arising in the relative humidity measurement of challenging drying environments for meat manufacturing in agricultural and agri-food industries. The design in this research focused on the structure of the improved psychrometer, signal conversion, and calculation methods. The experimental results showed the effect of varying psychrometer structure on relative humidity measurement accuracy. An industrial application to dry-cured meat products demonstrated the effective performance of the improved psychrometer being used as a relative humidity measurement sensor in meat-drying rooms. In a drying environment for meat manufacturing, the achieved measurement accuracy for relative humidity using the improved psychrometer was ±0.6%. The system test results showed that the improved psychrometer can provide reliable and long-term stable relative humidity measurements with high accuracy in the drying system of meat products.
An accurate heart beat detection method in the EKG recorded in fMRI system.
Oh, Sung Suk; Chung, Jun-Young; Yoon, Hyo Woon; Park, HyunWook
The simultaneous recording of functional magnetic resonance imaging (fMRI) and electroencephalogram (EEG) provides an efficient signal for the high spatiotemporal brain mapping because each modality provides complementary information. The peak detection in the EEG signal measured in the MR scanner is necessary for removal of the ballistocardiac artifact. Especially, it would be affected by the quality of the EKG signal and the variation of the heart beat rate. Therefore, we propose the peak detection method using a K-teager energy operator (K-TEO) as well as further refinement processes in order to detect precise peaks. We applied this technique to the analysis of simulation waves with random noise and abrupt heat beat changes.