System and method of active vibration control for an electro-mechanically cooled device

DOEpatents

Lavietes, Anthony D.; Mauger, Joseph; Anderson, Eric H.

2000-01-01

A system and method of active vibration control of an electro-mechanically cooled device is disclosed. A cryogenic cooling system is located within an environment. The cooling system is characterized by a vibration transfer function, which requires vibration transfer function coefficients. A vibration controller generates the vibration transfer function coefficients in response to various triggering events. The environments may differ by mounting apparatus, by proximity to vibration generating devices, or by temperature. The triggering event may be powering on the cooling system, reaching an operating temperature, or a reset action. A counterbalance responds to a drive signal generated by the vibration controller, based on the vibration signal and the vibration transfer function, which adjusts vibrations. The method first places a cryogenic cooling system within a first environment and then generates a first set of vibration transfer function coefficients, for a vibration transfer function of the cooling system. Next, the cryogenic cooling system is placed within a second environment and a second set of vibration transfer function coefficients are generated. Then, a counterbalance is driven, based on the vibration transfer function, to reduce vibrations received by a vibration sensitive element.

A new method for multicomponent activity coefficients of electrolytes in aqueous atmospheric aerosols

NASA Astrophysics Data System (ADS)

Zaveri, Rahul A.; Easter, Richard C.; Wexler, Anthony S.

2005-01-01

Three-dimensional models of atmospheric inorganic aerosols need accurate and computationally efficient parameterizations of activity coefficients of various electrolytes in multicomponent aqueous solutions. In this paper, we extend the Taylor's series expansion mixing rule used by C. Wagner in 1952 for estimating activity coefficients in dilute alloy solutions to aqueous electrolyte solutions at any concentration. The resulting method, called the multicomponent Taylor expansion method (MTEM), estimates the mean activity coefficient of an electrolyte in a multicomponent solution on the basis of its values in binary solutions of all the electrolytes present in the mixture at the solution water activity aw, assuming aw is equal to the ambient relative humidity. MTEM is applied here for atmospheric aerosol systems containing H+, NH4+, Na+, Ca2+, SO42-, HSO4-, NO3-, and Cl- ions. The aerosol water content is calculated using the Zdanovskii-Stokes-Robinson (ZSR) method. For self-consistency, most of the MTEM and ZSR parameters are derived using the comprehensive Pitzer-Simonson-Clegg model at 298.15 K and are valid for an aw range of 0.2-0.97. Because CaSO4 is sparingly soluble, it is treated as a solid in the model over the entire aw range. MTEM is evaluated for several multicomponent systems representing various continental and marine aerosols and is contrasted against the mixing rule of C. L. Kusik and H. P. Meissner and of L. A. Bromley and the newer approach of S. Metzger and colleagues. Predictions of MTEM are found to be generally within a factor of 0.8-1.25 of the comprehensive Pitzer-Simonson-Clegg model and are shown to be significantly more accurate than predictions of the other three methods. MTEM also yields a noniterative solution of the bisulfate ion dissociation in sulfate-rich systems: a major computational advantage over other ionic-strength-based methods that require an iterative solution. CPU time requirements of MTEM relative to other methods for sulfate-poor and sulfate-rich systems are also discussed.

Experimental Solubility Approach to Determine PDMS-Water Partition Constants and PDMS Activity Coefficients.

PubMed

Grant, Sharon; Schacht, Veronika J; Escher, Beate I; Hawker, Darryl W; Gaus, Caroline

2016-03-15

Freely dissolved aqueous concentration and chemical activity are important determinants of contaminant transport, fate, and toxic potential. Both parameters are commonly quantified using Solid Phase Micro-Extraction (SPME) based on a sorptive polymer such as polydimethylsiloxane (PDMS). This method requires the PDMS-water partition constants, KPDMSw, or activity coefficient to be known. For superhydrophobic contaminants (log KOW >6), application of existing methods to measure these parameters is challenging, and independent measures to validate KPDMSw values would be beneficial. We developed a simple, rapid method to directly measure PDMS solubilities of solid contaminants, SPDMS(S), which together with literature thermodynamic properties was then used to estimate KPDMSw and activity coefficients in PDMS. PDMS solubility for the test compounds (log KOW 7.2-8.3) ranged over 3 orders of magnitude (4.1-5700 μM), and was dependent on compound class. For polychlorinated biphenyls (PCBs) and polychlorinated dibenzo-p-dioxins (PCDDs), solubility-derived KPDMSw increased linearly with hydrophobicity, consistent with trends previously reported for less chlorinated congeners. In contrast, subcooled liquid PDMS solubilities, SPDMS(L), were approximately constant within a compound class. SPDMS(S) and KPDMSw can therefore be predicted for a compound class with reasonable robustness based solely on the class-specific SPDMS(L) and a particular congener's entropy of fusion, melting point, and aqueous solubility.

A program for calculating load coefficient matrices utilizing the force summation method, L218 (LOADS). Volume 2: Supplemental system design and maintenance document

NASA Technical Reports Server (NTRS)

Anderson, L. R.; Miller, R. D.

1979-01-01

The LOADS computer program L218 which calculates dynamic load coefficient matrices utilizing the force summation method is described. The load equations are derived for a flight vehicle in straight and level flight and excited by gusts and/or control motions. In addition, sensor equations are calculated for use with an active control system. The load coefficient matrices are calculated for the following types of loads: (1) translational and rotational accelerations, velocities, and displacements; (2) panel aerodynamic forces; (3) net panel forces; and (4) shears, bending moments, and torsions.

The use of QSAR methods for determination of n-octanol/water partition coefficient using the example of hydroxyester HE-1

NASA Astrophysics Data System (ADS)

Guziałowska-Tic, Joanna

2017-10-01

According to the Directive of the European Parliament and of the Council concerning the protection of animals used for scientific purposes, the number of experiments involving the use of animals needs to be reduced. The methods which can replace animal testing include computational prediction methods, for instance, the quantitative structure-activity relationships (QSAR). These methods are designed to find a cohesive relationship between differences in the values of the properties of molecules and the biological activity of a series of test compounds. This paper compares the results of the author's own results of examination on the n-octanol/water coefficient for the hydroxyester HE-1 with those generated by means of three models: Kowwin, MlogP, AlogP. The test results indicate that, in the case of molecular similarity, the highest determination coefficient was obtained for the model MlogP and the lowest root-mean square error was obtained for the Kowwin method. When comparing the mean logP value obtained using the QSAR models with the value resulting from the author's own experiments, it was observed that the best conformity was that recorded for the model AlogP, where relative error was 15.2%.

Determination of the diffusion coefficient and solubility of radon in plastics.

PubMed

Pressyanov, D; Georgiev, S; Dimitrova, I; Mitev, K; Boshkova, T

2011-05-01

This paper describes a method for determination of the diffusion coefficient and the solubility of radon in plastics. The method is based on the absorption and desorption of radon in plastics. Firstly, plastic specimens are exposed for controlled time to referent (222)Rn concentrations. After exposure, the activity of the specimens is followed by HPGe gamma spectrometry. Using the mathematical algorithm described in this report and the decrease of activity as a function of time, the diffusion coefficient can be determined. In addition, if the referent (222)Rn concentration during the exposure is known, the solubility of radon can be determined. The algorithm has been experimentally applied for different plastics. The results show that this approach allows the specified quantities to be determined with a rather high accuracy-depending on the quality of the counting equipment, it can be better than 10 %.

Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model.

PubMed

Diaz-Rodriguez, Sebastian; Bozada, Samantha M; Phifer, Jeremy R; Paluch, Andrew S

2016-11-01

We present blind predictions using the solubility parameter based method MOSCED submitted for the SAMPL5 challenge on calculating cyclohexane/water distribution coefficients at 298 K. Reference data to parameterize MOSCED was generated with knowledge only of chemical structure by performing solvation free energy calculations using electronic structure calculations in the SMD continuum solvent. To maintain simplicity and use only a single method, we approximate the distribution coefficient with the partition coefficient of the neutral species. Over the final SAMPL5 set of 53 compounds, we achieved an average unsigned error of [Formula: see text] log units (ranking 15 out of 62 entries), the correlation coefficient (R) was [Formula: see text] (ranking 35), and [Formula: see text] of the predictions had the correct sign (ranking 30). While used here to predict cyclohexane/water distribution coefficients at 298 K, MOSCED is broadly applicable, allowing one to predict temperature dependent infinite dilution activity coefficients in any solvent for which parameters exist, and provides a means by which an excess Gibbs free energy model may be parameterized to predict composition dependent phase-equilibrium.

Development of a generalized perturbation theory method for sensitivity analysis using continuous-energy Monte Carlo methods

DOE PAGES

Perfetti, Christopher M.; Rearden, Bradley T.

2016-03-01

The sensitivity and uncertainty analysis tools of the ORNL SCALE nuclear modeling and simulation code system that have been developed over the last decade have proven indispensable for numerous application and design studies for nuclear criticality safety and reactor physics. SCALE contains tools for analyzing the uncertainty in the eigenvalue of critical systems, but cannot quantify uncertainty in important neutronic parameters such as multigroup cross sections, fuel fission rates, activation rates, and neutron fluence rates with realistic three-dimensional Monte Carlo simulations. A more complete understanding of the sources of uncertainty in these design-limiting parameters could lead to improvements in processmore » optimization, reactor safety, and help inform regulators when setting operational safety margins. A novel approach for calculating eigenvalue sensitivity coefficients, known as the CLUTCH method, was recently explored as academic research and has been found to accurately and rapidly calculate sensitivity coefficients in criticality safety applications. The work presented here describes a new method, known as the GEAR-MC method, which extends the CLUTCH theory for calculating eigenvalue sensitivity coefficients to enable sensitivity coefficient calculations and uncertainty analysis for a generalized set of neutronic responses using high-fidelity continuous-energy Monte Carlo calculations. Here, several criticality safety systems were examined to demonstrate proof of principle for the GEAR-MC method, and GEAR-MC was seen to produce response sensitivity coefficients that agreed well with reference direct perturbation sensitivity coefficients.« less

Quasi-modal vibration control by means of active control bearings

NASA Technical Reports Server (NTRS)

Nonami, K.; Fleming, D. P.

1986-01-01

This paper investigates a design method of an active control bearing system with only velocity feedback. The study provides a new quasi-modal control method for a control system design of an active control bearing system in which feedback coefficients are determined on the basis of a modal analysis. Although the number of sensors and actuators is small, this quasi-modal control method produces a control effect close to an ideal modal control.

Two-Way Gene Interaction From Microarray Data Based on Correlation Methods.

PubMed

Alavi Majd, Hamid; Talebi, Atefeh; Gilany, Kambiz; Khayyer, Nasibeh

2016-06-01

Gene networks have generated a massive explosion in the development of high-throughput techniques for monitoring various aspects of gene activity. Networks offer a natural way to model interactions between genes, and extracting gene network information from high-throughput genomic data is an important and difficult task. The purpose of this study is to construct a two-way gene network based on parametric and nonparametric correlation coefficients. The first step in constructing a Gene Co-expression Network is to score all pairs of gene vectors. The second step is to select a score threshold and connect all gene pairs whose scores exceed this value. In the foundation-application study, we constructed two-way gene networks using nonparametric methods, such as Spearman's rank correlation coefficient and Blomqvist's measure, and compared them with Pearson's correlation coefficient. We surveyed six genes of venous thrombosis disease, made a matrix entry representing the score for the corresponding gene pair, and obtained two-way interactions using Pearson's correlation, Spearman's rank correlation, and Blomqvist's coefficient. Finally, these methods were compared with Cytoscape, based on BIND, and Gene Ontology, based on molecular function visual methods; R software version 3.2 and Bioconductor were used to perform these methods. Based on the Pearson and Spearman correlations, the results were the same and were confirmed by Cytoscape and GO visual methods; however, Blomqvist's coefficient was not confirmed by visual methods. Some results of the correlation coefficients are not the same with visualization. The reason may be due to the small number of data.

The measurable heat flux that accompanies active transport by Ca2+-ATPase.

PubMed

Bedeaux, Dick; Kjelstrup, Signe

2008-12-28

We present a new mesoscopic basis which can be used to derive flux equations for the forward and reverse mode of operation of ion-pumps. We obtain a description of the fluxes far from global equilibrium. An asymmetric set of transport coefficients is obtained, by assuming that the chemical reaction as well as the ion transports are activated, and that the enzyme has a temperature independent of the activation coordinates. Close to global equilibrium, the description reduces to the well known one from non-equilibrium thermodynamics with a symmetric set of transport coefficients. We show how the measurable heat flux and the heat production under isothermal conditions, as well as thermogenesis, can be defined. Thermogenesis is defined via the onset of the chemical reaction or ion transports by a temperature drop. A prescription has been given for how to determine transport coefficients on the mesocopic level, using the macroscopic coefficient obtained from measurements, the activation enthalpy, and a proper probability distribution. The method may give new impetus to a long-standing unsolved transport problem in biophysics.

Drying behaviour, effective diffusivity and energy of activation of olive leaves dried by microwave, vacuum and oven drying methods

NASA Astrophysics Data System (ADS)

Elhussein, Elaf Abdelillah Ali; Şahin, Selin

2018-07-01

Drying is the crucial food processing for bioactive components from plant materials before strating extraction in addition to preservation of raw plant materials during storage period. Olive leaves were dried by various methods such as microwave drying (MD), oven drying (OD) and vacuum drying (VD) at several temperature values in the present study. Mathematical models allow to develop, design and control the processes. 14 emprical equations were used to estimate the drying behaviour and the time required for drying. Convenience of the models were evaluated according to the correlation coefficient ( R 2 ), varience ( S 2 ) and root mean square deviation ( D RMS ). On the other hand, the effective diffusion coefficient and energy for activation were also calculated. Effects of the drying methods on the total phenolic (TPC), flavonoid (TFC) and oleuropein contents and free radical scavenging activity (FRSA) of the olive leaves were also investigated to take into considiration the quality of the dried product. MD has proved to be the fastest drying method having the highest effective diffusivity and the lowest activation energy with a more qualitive product.

Drying behaviour, effective diffusivity and energy of activation of olive leaves dried by microwave, vacuum and oven drying methods

NASA Astrophysics Data System (ADS)

Elhussein, Elaf Abdelillah Ali; Şahin, Selin

2018-01-01

Drying is the crucial food processing for bioactive components from plant materials before strating extraction in addition to preservation of raw plant materials during storage period. Olive leaves were dried by various methods such as microwave drying (MD), oven drying (OD) and vacuum drying (VD) at several temperature values in the present study. Mathematical models allow to develop, design and control the processes. 14 emprical equations were used to estimate the drying behaviour and the time required for drying. Convenience of the models were evaluated according to the correlation coefficient (R 2 ), varience (S 2 ) and root mean square deviation (D RMS ). On the other hand, the effective diffusion coefficient and energy for activation were also calculated. Effects of the drying methods on the total phenolic (TPC), flavonoid (TFC) and oleuropein contents and free radical scavenging activity (FRSA) of the olive leaves were also investigated to take into considiration the quality of the dried product. MD has proved to be the fastest drying method having the highest effective diffusivity and the lowest activation energy with a more qualitive product.

Removing the barrier to the calculation of activation energies: Diffusion coefficients and reorientation times in liquid water.

PubMed

Piskulich, Zeke A; Mesele, Oluwaseun O; Thompson, Ward H

2017-10-07

General approaches for directly calculating the temperature dependence of dynamical quantities from simulations at a single temperature are presented. The method is demonstrated for self-diffusion and OH reorientation in liquid water. For quantities which possess an activation energy, e.g., the diffusion coefficient and the reorientation time, the results from the direct calculation are in excellent agreement with those obtained from an Arrhenius plot. However, additional information is obtained, including the decomposition of the contributions to the activation energy. These results are discussed along with prospects for additional applications of the direct approach.

A hierarchical estimator development for estimation of tire-road friction coefficient

PubMed Central

Zhang, Xudong; Göhlich, Dietmar

2017-01-01

The effect of vehicle active safety systems is subject to the friction force arising from the contact of tires and the road surface. Therefore, an adequate knowledge of the tire-road friction coefficient is of great importance to achieve a good performance of these control systems. This paper presents a tire-road friction coefficient estimation method for an advanced vehicle configuration, four-motorized-wheel electric vehicles, in which the longitudinal tire force is easily obtained. A hierarchical structure is adopted for the proposed estimation design. An upper estimator is developed based on unscented Kalman filter to estimate vehicle state information, while a hybrid estimation method is applied as the lower estimator to identify the tire-road friction coefficient using general regression neural network (GRNN) and Bayes' theorem. GRNN aims at detecting road friction coefficient under small excitations, which are the most common situations in daily driving. GRNN is able to accurately create a mapping from input parameters to the friction coefficient, avoiding storing an entire complex tire model. As for large excitations, the estimation algorithm is based on Bayes' theorem and a simplified “magic formula” tire model. The integrated estimation method is established by the combination of the above-mentioned estimators. Finally, the simulations based on a high-fidelity CarSim vehicle model are carried out on different road surfaces and driving maneuvers to verify the effectiveness of the proposed estimation method. PMID:28178332

A hierarchical estimator development for estimation of tire-road friction coefficient.

PubMed

Zhang, Xudong; Göhlich, Dietmar

2017-01-01

The effect of vehicle active safety systems is subject to the friction force arising from the contact of tires and the road surface. Therefore, an adequate knowledge of the tire-road friction coefficient is of great importance to achieve a good performance of these control systems. This paper presents a tire-road friction coefficient estimation method for an advanced vehicle configuration, four-motorized-wheel electric vehicles, in which the longitudinal tire force is easily obtained. A hierarchical structure is adopted for the proposed estimation design. An upper estimator is developed based on unscented Kalman filter to estimate vehicle state information, while a hybrid estimation method is applied as the lower estimator to identify the tire-road friction coefficient using general regression neural network (GRNN) and Bayes' theorem. GRNN aims at detecting road friction coefficient under small excitations, which are the most common situations in daily driving. GRNN is able to accurately create a mapping from input parameters to the friction coefficient, avoiding storing an entire complex tire model. As for large excitations, the estimation algorithm is based on Bayes' theorem and a simplified "magic formula" tire model. The integrated estimation method is established by the combination of the above-mentioned estimators. Finally, the simulations based on a high-fidelity CarSim vehicle model are carried out on different road surfaces and driving maneuvers to verify the effectiveness of the proposed estimation method.

Two-Way Gene Interaction From Microarray Data Based on Correlation Methods

PubMed Central

Alavi Majd, Hamid; Talebi, Atefeh; Gilany, Kambiz; Khayyer, Nasibeh

2016-01-01

Background Gene networks have generated a massive explosion in the development of high-throughput techniques for monitoring various aspects of gene activity. Networks offer a natural way to model interactions between genes, and extracting gene network information from high-throughput genomic data is an important and difficult task. Objectives The purpose of this study is to construct a two-way gene network based on parametric and nonparametric correlation coefficients. The first step in constructing a Gene Co-expression Network is to score all pairs of gene vectors. The second step is to select a score threshold and connect all gene pairs whose scores exceed this value. Materials and Methods In the foundation-application study, we constructed two-way gene networks using nonparametric methods, such as Spearman’s rank correlation coefficient and Blomqvist’s measure, and compared them with Pearson’s correlation coefficient. We surveyed six genes of venous thrombosis disease, made a matrix entry representing the score for the corresponding gene pair, and obtained two-way interactions using Pearson’s correlation, Spearman’s rank correlation, and Blomqvist’s coefficient. Finally, these methods were compared with Cytoscape, based on BIND, and Gene Ontology, based on molecular function visual methods; R software version 3.2 and Bioconductor were used to perform these methods. Results Based on the Pearson and Spearman correlations, the results were the same and were confirmed by Cytoscape and GO visual methods; however, Blomqvist’s coefficient was not confirmed by visual methods. Conclusions Some results of the correlation coefficients are not the same with visualization. The reason may be due to the small number of data. PMID:27621916

Self-optimizing Pitch Control for Large Scale Wind Turbine Based on ADRC

NASA Astrophysics Data System (ADS)

Xia, Anjun; Hu, Guoqing; Li, Zheng; Huang, Dongxiao; Wang, Fengxiang

2018-01-01

Since wind turbine is a complex nonlinear and strong coupling system, traditional PI control method can hardly achieve good control performance. A self-optimizing pitch control method based on the active-disturbance-rejection control theory is proposed in this paper. A linear model of the wind turbine is derived by linearizing the aerodynamic torque equation and the dynamic response of wind turbine is transformed into a first-order linear system. An expert system is designed to optimize the amplification coefficient according to the pitch rate and the speed deviation. The purpose of the proposed control method is to regulate the amplification coefficient automatically and keep the variations of pitch rate and rotor speed in proper ranges. Simulation results show that the proposed pitch control method has the ability to modify the amplification coefficient effectively, when it is not suitable, and keep the variations of pitch rate and rotor speed in proper ranges

Comparison of Methods for Characterizing Nonideal Solute Self-Association by Sedimentation Equilibrium

PubMed Central

Scott, David J.; Winzor, Donald J.

2009-01-01

Abstract We have examined in detail analytical solutions of expressions for sedimentation equilibrium in the analytical ultracentrifuge to describe self-association under nonideal conditions. We find that those containing the radial dependence of total solute concentration that incorporate the Adams-Fujita assumption for composition-dependence of activity coefficients reveal potential shortcomings for characterizing such systems. Similar deficiencies are shown in the use of the NONLIN software incorporating the same assumption about the interrelationship between activity coefficients for monomer and polymer species. These difficulties can be overcome by iterative analyses incorporating expressions for the composition-dependence of activity coefficients predicted by excluded volume considerations. A recommendation is therefore made for the replacement of current software packages by programs that incorporate rigorous statistical-mechanical allowance for thermodynamic nonideality in sedimentation equilibrium distributions reflecting solute self-association. PMID:19651047

Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model

NASA Astrophysics Data System (ADS)

Diaz-Rodriguez, Sebastian; Bozada, Samantha M.; Phifer, Jeremy R.; Paluch, Andrew S.

2016-11-01

We present blind predictions using the solubility parameter based method MOSCED submitted for the SAMPL5 challenge on calculating cyclohexane/water distribution coefficients at 298 K. Reference data to parameterize MOSCED was generated with knowledge only of chemical structure by performing solvation free energy calculations using electronic structure calculations in the SMD continuum solvent. To maintain simplicity and use only a single method, we approximate the distribution coefficient with the partition coefficient of the neutral species. Over the final SAMPL5 set of 53 compounds, we achieved an average unsigned error of 2.2± 0.2 log units (ranking 15 out of 62 entries), the correlation coefficient ( R) was 0.6± 0.1 (ranking 35), and 72± 6 % of the predictions had the correct sign (ranking 30). While used here to predict cyclohexane/water distribution coefficients at 298 K, MOSCED is broadly applicable, allowing one to predict temperature dependent infinite dilution activity coefficients in any solvent for which parameters exist, and provides a means by which an excess Gibbs free energy model may be parameterized to predict composition dependent phase-equilibrium.

Investigation of concentration-dependence of thermodynamic properties of lanthanum, yttrium, scandium and terbium in eutectic LiCl-KCl molten salt

NASA Astrophysics Data System (ADS)

Wang, Yafei; Zhou, Wentao; Zhang, Jinsuo

2016-09-01

Thermodynamic properties of rare earth metals in LiCl-KCl molten salt electrolyte are crucial to the development of electrochemical separation for the treatment of used nuclear fuels. In the present study, activity coefficient, apparent potential, and diffusion coefficient of lanthanum, yttrium, scandium, and terbium in the molten salt (58 at% LiCl and 42 at% KCl) were calculated by the method of molecular dynamics simulation up to a concentration around 3 at% at temperatures of 723 K and 773 K. It was found that the activity coefficient and the apparent potential increase with the species concentration while diffusion coefficient shows a trend of increase followed by decrease. The calculated results were validated by available measurement data of dilution cases. This research extends the range of data to a wide component and would provide further insight to the pyroprocessing design and safeguards.

Determining and understanding the control of flux. An illustration in submitochondrial particles of how to validate schemes of metabolic control.

PubMed

Moreno-Sánchez, R; Bravo, C; Westerhoff, H V

1999-09-01

Two complementary methods were used to determine how the rate of respiration and that of ATP hydrolysis were controlled in rat liver submitochondrial particles. In the first, 'direct control analysis' method, respiration was titrated with malonate, antimycin or cyanide at 20, 30 and 37 degrees C, to determine the flux control exerted by succinate dehydrogenase, cytochrome bc1 complex and cytochrome c oxidase, respectively. Together, the three respiratory complexes only controlled the flux by about 50%, leaving the other 50% of flux control to the H+ leak. In the second, 'elasticity based' method, the elasticity coefficients of the respiratory chain or the H+-ATPase and the H+ leak towards the H+ gradient were determined. Then, the flux control coefficients were calculated using the connectivity and summation laws of metabolic control theory. The correspondence between the flux control coefficients determined in the two ways validated the two methods. This allowed us to use the second method to analyse what was the kinetic origin of the observed distribution of control. Control of ATP hydrolysis by the ATPase decreased with increasing ATPase activity; hence, the control exerted by the H+ leak increased with increasing ATPase activity, due to a diminishing elasticity towards the H+ gradient. Reverse electron transport was mainly controlled by the ATPase; the sum of flux control coefficients of succinate dehydrogenase, NADH-CoQ oxidoreductase, and H+-ATPase yielded a value greater than one, indicating that the H+ leak exerted a significant negative control on this pathway.

Determination of 210Pb concentration in NORM waste - An application of the transmission method for self-attenuation corrections for gamma-ray spectrometry

NASA Astrophysics Data System (ADS)

Bonczyk, Michal

2018-07-01

This article deals with the problem of the self-attenuation of low-energy gamma-rays from the isotope of lead 210Pb (46.5 keV) in industrial waste. The 167 samples of industrial waste, belonging to nine categories, were tested by means of gamma spectrometry in order to determine 210Pb activity concentration. The experimental method for self-attenuation corrections for gamma rays emitted by lead isotope was applied. Mass attenuation coefficients were determined for energy of 46.5 keV. Correction factors were calculated based on mass attenuation coefficients, sample density and thickness. A mathematical formula for correction calculation was evaluated. The 210Pb activity concentration obtained varied in the range from several Bq·kg-1 up to 19,810 Bq kg-1. The mass attenuation coefficients varied across the range of 0.19-4.42 cm2·g-1. However, the variation of mass attenuation coefficient within some categories of waste was relatively small. The calculated corrections for self-attenuation were 0.98 - 6.97. The high value of correction factors must not be neglect in radiation risk assessment.

Three-dimensional quantitative structure-activity relationship studies on c-Src inhibitors based on different docking methods.

PubMed

Bairy, Santhosh Kumar; Suneel Kumar, B V S; Bhalla, Joseph Uday Tej; Pramod, A B; Ravikumar, Muttineni

2009-04-01

c-Src kinase play an important role in cell growth and differentiation and its inhibitors can be useful for the treatment of various diseases, including cancer, osteoporosis, and metastatic bone disease. Three dimensional quantitative structure-activity relationship (3D-QSAR) studies were carried out on quinazolin derivatives inhibiting c-Src kinase. Molecular field analysis (MFA) models with four different alignment techniques, namely, GLIDE, GOLD, LIGANDFIT and Least squares based methods were developed. glide based MFA model showed better results (Leave one out cross validation correlation coefficient r(2)(cv) = 0.923 and non-cross validation correlation coefficient r(2)= 0.958) when compared with other models. These results help us to understand the nature of descriptors required for activity of these compounds and thereby provide guidelines to design novel and potent c-Src kinase inhibitors.

SPATIAL DISTRIBUTIONS OF ABSORPTION, LOCAL SUPPRESSION, AND EMISSIVITY REDUCTION OF SOLAR ACOUSTIC WAVES IN MAGNETIC REGIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chou, D.-Y.; Yang, M.-H.; Zhao Hui

Observed acoustic power in magnetic regions is lower than the quiet Sun because of absorption, emissivity reduction, and local suppression of solar acoustic waves in magnetic regions. In the previous studies, we have developed a method to measure the coefficients of absorption, emissivity reduction, and local suppression of sunspots. In this study, we go one step further to measure the spatial distributions of three coefficients in two active regions, NOAA 9055 and 9057. The maps of absorption, emissivity reduction, and local suppression coefficients correlate with the magnetic map, including plage regions, except the emissivity reduction coefficient of NOAA 9055 wheremore » the emissivity reduction coefficient is too weak and lost among the noise.« less

Improved power control using optimal adjustable coefficients for three-phase photovoltaic inverter under unbalanced grid voltage.

PubMed

Wang, Qianggang; Zhou, Niancheng; Lou, Xiaoxuan; Chen, Xu

2014-01-01

Unbalanced grid faults will lead to several drawbacks in the output power quality of photovoltaic generation (PV) converters, such as power fluctuation, current amplitude swell, and a large quantity of harmonics. The aim of this paper is to propose a flexible AC current generation method by selecting coefficients to overcome these problems in an optimal way. Three coefficients are brought in to tune the output current reference within the required limits of the power quality (the current harmonic distortion, the AC current peak, the power fluctuation, and the DC voltage fluctuation). Through the optimization algorithm, the coefficients can be determined aiming to generate the minimum integrated amplitudes of the active and reactive power references with the constraints of the inverter current and DC voltage fluctuation. Dead-beat controller is utilized to track the optimal current reference in a short period. The method has been verified in PSCAD/EMTDC software.

Improved Power Control Using Optimal Adjustable Coefficients for Three-Phase Photovoltaic Inverter under Unbalanced Grid Voltage

PubMed Central

Wang, Qianggang; Zhou, Niancheng; Lou, Xiaoxuan; Chen, Xu

2014-01-01

Unbalanced grid faults will lead to several drawbacks in the output power quality of photovoltaic generation (PV) converters, such as power fluctuation, current amplitude swell, and a large quantity of harmonics. The aim of this paper is to propose a flexible AC current generation method by selecting coefficients to overcome these problems in an optimal way. Three coefficients are brought in to tune the output current reference within the required limits of the power quality (the current harmonic distortion, the AC current peak, the power fluctuation, and the DC voltage fluctuation). Through the optimization algorithm, the coefficients can be determined aiming to generate the minimum integrated amplitudes of the active and reactive power references with the constraints of the inverter current and DC voltage fluctuation. Dead-beat controller is utilized to track the optimal current reference in a short period. The method has been verified in PSCAD/EMTDC software. PMID:25243215

Electrochemical systems configured to harvest heat energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Seok Woo; Yang, Yuan; Ghasemi, Hadi

Electrochemical systems for harvesting heat energy, and associated electrochemical cells and methods, are generally described. The electrochemical cells can be configured, in certain cases, such that at least a portion of the regeneration of the first electrochemically active material is driven by a change in temperature of the electrochemical cell. The electrochemical cells can be configured to include a first electrochemically active material and a second electrochemically active material, and, in some cases, the absolute value of the difference between the first thermogalvanic coefficient of the first electrochemically active material and the second thermogalvanic coefficient of the second electrochemically activemore » material is at least about 0.5 millivolts/Kelvin.« less

A novel method for the investigation of liquid/liquid distribution coefficients and interface permeabilities applied to the water-octanol-drug system.

PubMed

Stein, Paul C; di Cagno, Massimiliano; Bauer-Brandl, Annette

2011-09-01

In this work a new, accurate and convenient technique for the measurement of distribution coefficients and membrane permeabilities based on nuclear magnetic resonance (NMR) is described. This method is a novel implementation of localized NMR spectroscopy and enables the simultaneous analysis of the drug content in the octanol and in the water phase without separation. For validation of the method, the distribution coefficients at pH = 7.4 of four active pharmaceutical ingredients (APIs), namely ibuprofen, ketoprofen, nadolol, and paracetamol (acetaminophen), were determined using a classical approach. These results were compared to the NMR experiments which are described in this work. For all substances, the respective distribution coefficients found with the two techniques coincided very well. Furthermore, the NMR experiments make it possible to follow the distribution of the drug between the phases as a function of position and time. Our results show that the technique, which is available on any modern NMR spectrometer, is well suited to the measurement of distribution coefficients. The experiments present also new insight into the dynamics of the water-octanol interface itself and permit measurement of the interface permeability.

Thermodynamic properties of uranium in liquid gallium, indium and their alloys

NASA Astrophysics Data System (ADS)

Volkovich, V. A.; Maltsev, D. S.; Yamshchikov, L. F.; Osipenko, A. G.

2015-09-01

Activity, activity coefficients and solubility of uranium was determined in gallium, indium and gallium-indium alloys containing 21.8 (eutectic), 40 and 70 wt.% In. Activity was measured at 573-1073 K employing the electromotive force method, and solubility between room temperature (or the alloy melting point) and 1073 K employing direct physical measurements. Activity coefficients were obtained from the difference of experimentally determined temperature dependencies of uranium activity and solubility. Intermetallic compounds formed in the respective alloys were characterized using X-ray diffraction. Partial and excess thermodynamic functions of uranium in the studied alloys were calculated. Liquidus lines in U-Ga and U-In phase diagrams from the side rich in gallium or indium are proposed.

Comparison of bi-exponential and mono-exponential models of diffusion-weighted imaging for detecting active sacroiliitis in ankylosing spondylitis.

PubMed

Sun, Haitao; Liu, Kai; Liu, Hao; Ji, Zongfei; Yan, Yan; Jiang, Lindi; Zhou, Jianjun

2018-04-01

Background There has been a growing need for a sensitive and effective imaging method for the differentiation of the activity of ankylosing spondylitis (AS). Purpose To compare the performances of intravoxel incoherent motion (IVIM)-derived parameters and the apparent diffusion coefficient (ADC) for distinguishing AS-activity. Material and Methods One hundred patients with AS were divided into active (n = 51) and non-active groups (n = 49) and 21 healthy volunteers were included as control. The ADC, diffusion coefficient ( D), pseudodiffusion coefficient ( D*), and perfusion fraction ( f) were calculated for all groups. Kruskal-Wallis tests and receiver operator characteristic (ROC) curve analysis were performed for all parameters. Results There was good reproducibility of ADC /D and relatively poor reproducibility of D*/f. ADC, D, and f were significantly higher in the active group than in the non-active and control groups (all P < 0.0001, respectively). D* was slightly but significant lower in the active group than in the non-active and control group ( P = 0.0064, 0.0215). There was no significant difference in any parameter between the non-active group and the control group (all P > 0.050). In the ROC analysis, ADC had the largest AUC for distinguishing between the active group and the non-active group (0.988) and between the active and control groups (0.990). Multivariate logistic regression analysis models showed no diagnostic improvement. Conclusion ADC provided better diagnostic performance than IVIM-derived parameters in differentiating AS activity. Therefore, a straightforward and effective mono-exponential model of diffusion-weighted imaging may be sufficient for differentiating AS activity in the clinic.

Non-Ideality in Solvent Extraction Systems: PNNL FY 2014 Status Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levitskaia, Tatiana G.; Chatterjee, Sayandev; Pence, Natasha K.

The overall objective of this project is to develop predictive modeling capabilities for advanced fuel cycle separation processes by gaining a fundamental quantitative understanding of non-ideality effects and speciation in relevant aqueous and organic solutions. Aqueous solutions containing actinides and lanthanides encountered during nuclear fuel reprocessing have high ionic strength and do not behave as ideal solutions. Activity coefficients must be calculated to take into account the deviation from ideality and predict their behavior. In FY 2012-2013, a convenient method for determining activity effects in aqueous electrolyte solutions was developed. Our initial experiments demonstrated that water activity and osmotic coefficientsmore » of the electrolyte solutions can be accurately measured by the combination of two techniques, a Water Activity Meter and Vapor Pressure Osmometry (VPO). The water activity measurements have been conducted for binary lanthanide solutions in wide concentration range for all lanthanides (La-Lu with the exception of Pm). The osmotic coefficients and Pitzer parameters for each binary system were obtained by the least squares fitting of the water activity data. However, application of Pitzer model for the quantitative evaluation of the activity effects in the multicomponent mixtures is difficult due to the large number of the required interaction parameters. In FY 2014, the applicability of the Bromley model for the determination of the Ln(NO 3) 3 activity coefficients was evaluated. The new Bromley parameters for the binary Ln(NO 3) 3 electrolytes were obtained based on the available literature and our experimental data. This allowed for the accurate prediction of the Ln(NO 3) 3 activity coefficients for the binary Ln(NO 3) 3 electrolytes. This model was then successfully implemented for the determination of the Ln(NO 3) 3 activity coefficients in the ternary Nd(NO 3) 3/HNO 3/H2O, Eu(NO 3) 3/HNO 3/H 2O, and Eu(NO 3) 3/NaNO 3/H 2O systems. The main achievement of this work is the verified pathway for the estimation of the activity coefficients in the multicomponent aqueous electrolyte systems. The accurate Bromley electrolytes contributions obtained in this work for the entire series of lanthanide(III) nitrates (except Pm) can be applied for predicting activity coefficients and non-ideality effects for multi-component systems containing these species. This work also provides the proof-of-principle of extending the model to more complex multicomponent systems. Moreover, this approach can also be applied to actinide-containing electrolyte systems, for determination of the activity coefficients in concentrated radioactive solutions.« less

Predicting adsorption isotherms for aqueous organic micropollutants from activated carbon and pollutant properties.

PubMed

Li, Lei; Quinlivan, Patricia A; Knappe, Detlef R U

2005-05-01

A method based on the Polanyi-Dubinin-Manes (PDM) model is presented to predict adsorption isotherms of aqueous organic contaminants on activated carbons. It was assumed that trace organic compound adsorption from aqueous solution is primarily controlled by nonspecific dispersive interactions while water adsorption is controlled by specific interactions with oxygen-containing functional groups on the activated carbon surface. Coefficients describing the affinity of water for the activated carbon surface were derived from aqueous-phase methyl tertiary-butyl ether (MTBE) and trichloroethene (TCE) adsorption isotherm data that were collected with 12 well-characterized activated carbons. Over the range of oxygen contents covered by the adsorbents (approximately 0.8-10 mmol O/g dry, ash-free activated carbon), a linear relationship between water affinity coefficients and adsorbent oxygen content was obtained. Incorporating water affinity coefficients calculated from the developed relationship into the PDM model, isotherm predictions resulted that agreed well with experimental data for three adsorbents and two adsorbates [tetrachloroethene (PCE), cis-1,2-dichloroethene (DCE)] that were not used to calibrate the model.

Quantitative Structure-Activity Relationship of Insecticidal Activity of Benzyl Ether Diamidine Derivatives

NASA Astrophysics Data System (ADS)

Zhai, Mengting; Chen, Yan; Li, Jing; Zhou, Jun

2017-12-01

The molecular electrongativity distance vector (MEDV-13) was used to describe the molecular structure of benzyl ether diamidine derivatives in this paper, Based on MEDV-13, The three-parameter (M 3, M 15, M 47) QSAR model of insecticidal activity (pIC 50) for 60 benzyl ether diamidine derivatives was constructed by leaps-and-bounds regression (LBR) . The traditional correlation coefficient (R) and the cross-validation correlation coefficient (R CV ) were 0.975 and 0.971, respectively. The robustness of the regression model was validated by Jackknife method, the correlation coefficient R were between 0.971 and 0.983. Meanwhile, the independent variables in the model were tested to be no autocorrelation. The regression results indicate that the model has good robust and predictive capabilities. The research would provide theoretical guidance for the development of new generation of anti African trypanosomiasis drugs with efficiency and low toxicity.

Reliability and Validity of a Chinese-Translated Version of a Pregnancy Physical Activity Questionnaire.

PubMed

Xiang, Mi; Konishi, Massayuki; Hu, Huanhuan; Takahashi, Masaki; Fan, Wenbi; Nishimaki, Mio; Ando, Karina; Kim, Hyeon-Ki; Tabata, Hiroki; Arao, Takashi; Sakamoto, Shizuo

2016-09-01

Objectives The objectives of the present study were to translate the English version of the Pregnancy Physical Activity Questionnaire into Chinese (PPAQ-C) and to determine its reliability and validity for use by pregnant Chinese women. Methods The study included 224 pregnant women during their first, second, or third trimesters of pregnancy who completed the PPAQ-C on their first visit and wore a uniaxial accelerometer (Lifecorder; Suzuken Co. Ltd) for 7 days. One week after the first visit, we collected the data from the uniaxial accelerometer records, and the women were asked to complete the PPAQ-C again. Results We used intraclass correlation coefficients to determine the reliability of the PPAQ-C. The intraclass correlation coefficients were 0.77 for total activity (light and above), 0.76 for sedentary activity, 0.75 for light activity, 0.59 for moderate activity, and 0.28 for vigorous activity. The intraclass correlation coefficients were 0.74 for "household and caregiving", 0.75 for "occupational" activities, and 0.34 for "sports/exercise". Validity between the PPAQ-C and accelerometer data was determined by Spearman correlation coefficients. Although there were no significant correlations for moderate activity (r = 0.19, P > 0.05) or vigorous activity (r = 0.15, P > 0.05), there were significant correlations for total activity [light and above; r = 0.35, P < 0.01)] and for light activity (r = 0.33, P < 0.01). Conclusions for Practice The PPAQ-C is reliable and moderately accurate for measuring physical activity in pregnant Chinese women.

Solubility Measurements and Predictions of Gypsum, Anhydrite, and Calcite Over Wide Ranges of Temperature, Pressure, and Ionic Strength with Mixed Electrolytes

NASA Astrophysics Data System (ADS)

Dai, Zhaoyi; Kan, Amy T.; Shi, Wei; Zhang, Nan; Zhang, Fangfu; Yan, Fei; Bhandari, Narayan; Zhang, Zhang; Liu, Ya; Ruan, Gedeng; Tomson, Mason B.

2017-02-01

Today's oil and gas production from deep reservoirs permits exploitation of more oil and gas reserves but increases risks due to conditions of high temperature and high pressure. Predicting mineral solubility under such extreme conditions is critical for mitigating scaling risks, a common and costly problem. Solubility predictions use solubility products and activity coefficients, commonly from Pitzer theory virial coefficients. However, inaccurate activity coefficients and solubility data have limited accurate mineral solubility predictions and applications of the Pitzer theory. This study measured gypsum solubility under its stable phase conditions up to 1400 bar; it also confirmed the anhydrite solubility reported in the literature. Using a novel method, the virial coefficients for Ca2+ and {{SO}}4^{2 - } (i.e., β_{{{{CaSO}}4 }}^{(0)} ,β_{{{{CaSO}}4 }}^{(2)} ,C_{{{{CaSO}}4 }}^{φ }) were calculated over wide ranges of temperature and pressure (0-250 °C and 1-1400 bar). The determination of this set of virial coefficients widely extends the applicable temperature and pressure ranges of the Pitzer theory in Ca2+ and SO 4 2- systems. These coefficients can be applied to improve the prediction of calcite solubility in the presence of high concentrations of Ca2+ and SO 4 2- ions. These new virial coefficients can also be used to predict the solubilities of gypsum and anhydrite accurately. Moreover, based on the derived β_{{{{CaSO}}4 }}^{(2)} values in this study, the association constants of {{CaSO}}4^{( 0 )} at 1 bar and 25 °C can be estimated by K_{{assoc}} = - 2β_{{{{CaSO}}4 }}^{(2)}. These values match very well with those reported in the literature based on other methods.

The relationship between social capital and the way of spending leisure time, based on physical activities

PubMed Central

Karimian, Jahangir; Hosseini, Taghi Agha; Shekarchizadeh, Parivash; Nafchi, Sayed Morteza Mousavi

2015-01-01

Background: Today, social capital is a need in the society. Also, leisure time and physical activities are among the most important productive sources of social capital, which have been realized recently. This study aims to find the relationship between social capital and physical leisure time of the faculty members of Isfahan University of Medical Sciences. Materials and Methods: A descriptive correlation method was used in this study. Two questionnaires were used for data collection. Social capital questionnaire is based on SCAT Model. Also, leisure time questionnaire was made by the researcher for which face and content validity was verified by experts. Reliability coefficients by using Cronbach's alpha coefficients were calculated as 0.92 and 0.82, respectively. Sample population was calculated by Cochran's formula, and 150 people were selected as the sample using multiple cluster sampling by taking the sex and college into consideration as the variables. Findings: According to the findings, there was a direct relationship between a combination of social capital parameters (including commitment, attitude, trust, participation, mutual relationship, social norm, and unity) and the way of spending physical leisure time (R = 0.659, P = 0.000). Among the parameters, “commitment” was significant with a beta coefficient B = 0.293 and P = 0.044 and social norms was significant with a beta coefficient B = 0.196 and P = 0.047, but the rest of the factors were not significant. Conclusion: Playing sport and doing physical activities in the leisure time and also taking part in group activities and their membership provide a situation for people to respect the group interests through communication. Such activities can cause the level of social capital and its factors to be increased. PMID:27462621

Laser active thermography for non-destructive testing

NASA Astrophysics Data System (ADS)

Semerok, A.; Grisolia, C.; Fomichev, S. V.; Thro, P.-Y.

2013-11-01

Thermography methods have found their applications in different fields of human activity. The non-destructive feature of these methods along with the additional advantage by automated remote control and tests of nuclear installations without personnel attendance in the contaminated zone are of particular interest. Laser active pyrometry and laser lock-in thermography for in situ non-destructive characterization of micrometric layers on graphite substrates from European tokamaks were under extensive experimental and theoretical studies in CEA (France). The studies were aimed to obtain layer characterization with cross-checking the layer thermal contact coefficients determined by active laser pyrometry and lock-in thermography. The experimental installation comprised a Nd-YAG pulsed repetition rate laser (1 Hz - 10 kHz repetition rate frequency, homogeneous spot) and a home-made pyrometer system based on two pyrometers for the temperature measurements in 500 - 2600 K range. For both methods, the layer characterization was provided by the best fit of the experimental results and simulations. The layer thermal contact coefficients determined by both methods were quite comparable. Though there was no gain in the measurements accuracy, lock-in measurements have proved their advantage as being much more rapid. The obtained experimental and theoretical results are presented. Some practical applications and possible improvements of the methods are discussed.

Transport coefficients of Lennard-Jones fluids: A molecular-dynamics and effective-hard-sphere treatment

NASA Astrophysics Data System (ADS)

Heyes, David M.

1988-04-01

This study evaluates the shear viscosity, self-diffusion coefficient, and thermal conductivity of the Lennard-Jones (LJ) fluid over essentially the entire fluid range by molecular-dynamics (MD) computer simulation. The Green-Kubo (GK) method is mainly used. In addition, for shear viscosity, homogeneous shear nonequilibrium MD (NEMD) is also employed and compared with experimental data on argon along isotherms. Reasonable agreement between GK, NEMD, and experiment is found. Hard-sphere MD modified Chapman-Enskog expressions for these transport coefficients are tested with use of a temperature-dependent effective hard-sphere diameter. Excellent agreement is found for shear viscosity. The thermal conductivity and, more so, self-diffusion coefficient is less successful in this respect. This behavior is attributed to the attractive part to the LJ potential and its soft repulsive core. Expressions for the constant-volume and -pressure activation energies for these transport coefficients are derived solely in terms of the thermodynamic properties of the LJ fluid. Also similar expressions for the activation volumes are given, which should have a wider range of applications than just for the LJ system.

Estimation of Road Friction Coefficient in Different Road Conditions Based on Vehicle Braking Dynamics

NASA Astrophysics Data System (ADS)

Zhao, You-Qun; Li, Hai-Qing; Lin, Fen; Wang, Jian; Ji, Xue-Wu

2017-07-01

The accurate estimation of road friction coefficient in the active safety control system has become increasingly prominent. Most previous studies on road friction estimation have only used vehicle longitudinal or lateral dynamics and often ignored the load transfer, which tends to cause inaccurate of the actual road friction coefficient. A novel method considering load transfer of front and rear axles is proposed to estimate road friction coefficient based on braking dynamic model of two-wheeled vehicle. Sliding mode control technique is used to build the ideal braking torque controller, which control target is to control the actual wheel slip ratio of front and rear wheels tracking the ideal wheel slip ratio. In order to eliminate the chattering problem of the sliding mode controller, integral switching surface is used to design the sliding mode surface. A second order linear extended state observer is designed to observe road friction coefficient based on wheel speed and braking torque of front and rear wheels. The proposed road friction coefficient estimation schemes are evaluated by simulation in ADAMS/Car. The results show that the estimated values can well agree with the actual values in different road conditions. The observer can estimate road friction coefficient exactly in real-time and resist external disturbance. The proposed research provides a novel method to estimate road friction coefficient with strong robustness and more accurate.

Regional water coefficients for U.S. industrial sectors

DOE PAGES

Boero, Riccardo; Pasqualini, Donatella

2017-09-14

Designing policies for water systems management requires the capability to assess the economic impacts of water availability and to effectively couple water withdrawals by human activities with natural hydrologic dynamics. At the core of any scientific approach to these issues there is the estimation of water withdrawals by industrial sectors in the form of water coefficients, which are measurements of the quantity of water withdrawn per dollar of GDP or output. Here, we focus on the contiguous United States and on the estimation of water coefficients for regional scale analyses. We first compare an established methodology for the estimation ofmore » national water coefficients with a parametric one we propose. Second, we introduce a method to estimate water coefficients at the level of ecological regions and we discuss how they reduce possible biases in regional analyses of water systems. Finally, we discuss advantages and limits of regional water coefficients.« less

Regional water coefficients for U.S. industrial sectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boero, Riccardo; Pasqualini, Donatella

Designing policies for water systems management requires the capability to assess the economic impacts of water availability and to effectively couple water withdrawals by human activities with natural hydrologic dynamics. At the core of any scientific approach to these issues there is the estimation of water withdrawals by industrial sectors in the form of water coefficients, which are measurements of the quantity of water withdrawn per dollar of GDP or output. Here, we focus on the contiguous United States and on the estimation of water coefficients for regional scale analyses. We first compare an established methodology for the estimation ofmore » national water coefficients with a parametric one we propose. Second, we introduce a method to estimate water coefficients at the level of ecological regions and we discuss how they reduce possible biases in regional analyses of water systems. Finally, we discuss advantages and limits of regional water coefficients.« less

New sensitive micro-measurements of dynamic surface tension and diffusion coefficients: Validated and tested for the adsorption of 1-Octanol at a microscopic air-water interface and its dissolution into water.

PubMed

Kinoshita, Koji; Parra, Elisa; Needham, David

2017-02-15

Currently available dynamic surface tension (DST) measurement methods, such as Wilhelmy plate, droplet- or bubble-based methods, still have various experimental limitations such as the large size of the interface, convection in the solution, or a certain "dead time" at initial measurement. These limitations create inconsistencies for the kinetic analysis of surfactant adsorption/desorption, especially significant for ionic surfactants. Here, the "micropipette interfacial area-expansion method" was introduced and validated as a new DST measurement having a high enough sensitivity to detect diffusion controlled molecular adsorption at the air-water interfaces. To validate the new technique, the diffusion coefficient of 1-Octanol in water was investigated with existing models: the Ward Tordai model for the long time adsorption regime (1-100s), and the Langmuir and Frumkin adsorption isotherm models for surface excess concentration. We found that the measured diffusion coefficient of 1-Octanol, 7.2±0.8×10 -6 cm 2 /s, showed excellent agreement with the result from an alternative method, "single microdroplet catching method", to measure the diffusion coefficient from diffusion-controlled microdroplet dissolution, 7.3±0.1×10 -6 cm 2 /s. These new techniques for determining adsorption and diffusion coefficients can apply for a range of surface active molecules, especially the less-characterized ionic surfactants, and biological compounds such as lipids, peptides, and proteins. Copyright © 2016 Elsevier Inc. All rights reserved.

A program for calculating load coefficient matrices utilizing the force summation method, L218 (LOADS). Volume 1: Engineering and usage

NASA Technical Reports Server (NTRS)

Miller, R. D.; Anderson, L. R.

1979-01-01

The LOADS program L218, a digital computer program that calculates dynamic load coefficient matrices utilizing the force summation method, is described. The load equations are derived for a flight vehicle in straight and level flight and excited by gusts and/or control motions. In addition, sensor equations are calculated for use with an active control system. The load coefficient matrices are calculated for the following types of loads: translational and rotational accelerations, velocities, and displacements; panel aerodynamic forces; net panel forces; shears and moments. Program usage and a brief description of the analysis used are presented. A description of the design and structure of the program to aid those who will maintain and/or modify the program in the future is included.

Coefficients of productivity for Yellowstone's grizzly bear habitat

USGS Publications Warehouse

Mattson, David John; Barber, Kim; Maw, Ralene; Renkin, Roy

2004-01-01

This report describes methods for calculating coefficients used to depict habitat productivity for grizzly bears in the Yellowstone ecosystem. Calculations based on these coefficients are used in the Yellowstone Grizzly Bear Cumulative Effects Model to map the distribution of habitat productivity and account for the impacts of human facilities. The coefficients of habitat productivity incorporate detailed information that was collected over a 20-year period (1977-96) on the foraging behavior of Yellowstone's bears and include records of what bears were feeding on, when and where they fed, the extent of that feeding activity, and relative measures of the quantity consumed. The coefficients also incorporate information, collected primarily from 1986 to 1992, on the nutrient content of foods that were consumed, their digestibility, characteristic bite sizes, and the energy required to extract and handle each food. Coefficients were calculated for different time periods and different habitat types, specific to different parts of the Yellowstone ecosystem. Stratifications included four seasons of bear activity (spring, estrus, early hyperphagia, late hyperphagia), years when ungulate carrion and whitebark pine seed crops were abundant versus not, areas adjacent to (< 100 m) or far away from forest/nonforest edges, and areas inside or outside of ungulate winter ranges. Densities of bear activity in each region, habitat type, and time period were incorporated into calculations, controlling for the effects of proximity to human facilities. The coefficients described in this report and associated estimates of grizzly bear habitat productivity are unique among many efforts to model the conditions of bear habitat because calculations include information on energetics derived from the observed behavior of radio-marked bears.

Rapid Contour-based Segmentation for 18F-FDG PET Imaging of Lung Tumors by Using ITK-SNAP: Comparison to Expert-based Segmentation.

PubMed

Besson, Florent L; Henry, Théophraste; Meyer, Céline; Chevance, Virgile; Roblot, Victoire; Blanchet, Elise; Arnould, Victor; Grimon, Gilles; Chekroun, Malika; Mabille, Laurence; Parent, Florence; Seferian, Andrei; Bulifon, Sophie; Montani, David; Humbert, Marc; Chaumet-Riffaud, Philippe; Lebon, Vincent; Durand, Emmanuel

2018-04-03

Purpose To assess the performance of the ITK-SNAP software for fluorodeoxyglucose (FDG) positron emission tomography (PET) segmentation of complex-shaped lung tumors compared with an optimized, expert-based manual reference standard. Materials and Methods Seventy-six FDG PET images of thoracic lesions were retrospectively segmented by using ITK-SNAP software. Each tumor was manually segmented by six raters to generate an optimized reference standard by using the simultaneous truth and performance level estimate algorithm. Four raters segmented 76 FDG PET images of lung tumors twice by using ITK-SNAP active contour algorithm. Accuracy of ITK-SNAP procedure was assessed by using Dice coefficient and Hausdorff metric. Interrater and intrarater reliability were estimated by using intraclass correlation coefficients of output volumes. Finally, the ITK-SNAP procedure was compared with currently recommended PET tumor delineation methods on the basis of thresholding at 41% volume of interest (VOI; VOI 41 ) and 50% VOI (VOI 50 ) of the tumor's maximal metabolism intensity. Results Accuracy estimates for the ITK-SNAP procedure indicated a Dice coefficient of 0.83 (95% confidence interval: 0.77, 0.89) and a Hausdorff distance of 12.6 mm (95% confidence interval: 9.82, 15.32). Interrater reliability was an intraclass correlation coefficient of 0.94 (95% confidence interval: 0.91, 0.96). The intrarater reliabilities were intraclass correlation coefficients above 0.97. Finally, VOI 41 and VOI 50 accuracy metrics were as follows: Dice coefficient, 0.48 (95% confidence interval: 0.44, 0.51) and 0.34 (95% confidence interval: 0.30, 0.38), respectively, and Hausdorff distance, 25.6 mm (95% confidence interval: 21.7, 31.4) and 31.3 mm (95% confidence interval: 26.8, 38.4), respectively. Conclusion ITK-SNAP is accurate and reliable for active-contour-based segmentation of heterogeneous thoracic PET tumors. ITK-SNAP surpassed the recommended PET methods compared with ground truth manual segmentation. © RSNA, 2018.

Hydrodynamic effects on phase transition in active matter

NASA Astrophysics Data System (ADS)

Gidituri, Harinadha; Akella, V. S.; Panchagnula, Mahesh; Vedantam, Srikanth; Multiphase flow physics lab Team

2017-11-01

Organized motion of active (self-propelled) objects are ubiquitous in nature. The objective of this study to investigate the effect of hydrodynamics on the coherent structures in active and passive particle mixtures. We use a mesoscopic method Dissipative Particle Dynamics (DPD). The system shows three different states viz. meso-turbulent (disordered state), polar flock and vortical (ordered state) for different values of activity and volume fraction of active particles. From our numerical simulations we construct a phase diagram between activity co-efficient, volume fraction and viscosity of the passive fluid. Transition from vortical to polar is triggered by increasing the viscosity of passive fluid which causes strong short-range hydrodynamic interactions. However, as the viscosity of the fluid decreases, both vortical and meso-turbulent states transition to polar flock phase. We also calculated the diffusion co-efficients via mean square displacement (MSD) for passive and active particles. We observe ballistic and diffusive regimes in the present system.

ERRORS IN APPLYING LOW IONIC-STRENGTH ACTIVITY COEFFICIENT ALGORITHMS TO HIGHER IONIC-STRENGTH AQUATIC MEDIA

EPA Science Inventory

The toxicological and regulatory communities are currently exploring the use of the free-ion-activity (FIA) model both alone and in conjunction with the biotic ligand model (BLM) as a means of reducing uncertainties in current methods for assessing metals bioavailability from aqu...

Applicability of DFT model in reactive distillation

NASA Astrophysics Data System (ADS)

Staszak, Maciej

2017-11-01

The density functional theory (DFT) applicability to reactive distillation is discussed. Brief modeling techniques description of distillation and rectification with chemical reaction is provided as a background for quantum method usage description. The equilibrium and nonequilibrium distillation models are described for that purpose. The DFT quantum theory is concisely described. The usage of DFT in the modeling of reactive distillation is described in two parts. One of the fundamental and very important component of distillation modeling is vapor-liquid equilibrium description for which the DFT quantum approach can be used. The representative DFT models, namely COSMO-RS (Conductor like Screening Model for Real Solvents), COSMOSPACE (COSMO Surface Pair Activity Coefficient) and COSMO-SAC (SAC - segment activity coefficient) approaches are described. The second part treats the way in which the chemical reaction is described by means of quantum DFT method. The intrinsic reaction coordinate (IRC) method is described which is used to find minimum energy path of substrates to products transition. The DFT is one of the methods which can be used for that purpose. The literature data examples are provided which proves that IRC method is applicable for chemical reaction kinetics description.

Accelerating activity coefficient calculations using multicore platforms, and profiling the energy use resulting from such calculations.

NASA Astrophysics Data System (ADS)

Topping, David; Alibay, Irfan; Bane, Michael

2017-04-01

To predict the evolving concentration, chemical composition and ability of aerosol particles to act as cloud droplets, we rely on numerical modeling. Mechanistic models attempt to account for the movement of compounds between the gaseous and condensed phases at a molecular level. This 'bottom up' approach is designed to increase our fundamental understanding. However, such models rely on predicting the properties of molecules and subsequent mixtures. For partitioning between the gaseous and condensed phases this includes: saturation vapour pressures; Henrys law coefficients; activity coefficients; diffusion coefficients and reaction rates. Current gas phase chemical mechanisms predict the existence of potentially millions of individual species. Within a dynamic ensemble model, this can often be used as justification for neglecting computationally expensive process descriptions. Indeed, on whether we can quantify the true sensitivity to uncertainties in molecular properties, even at the single aerosol particle level it has been impossible to embed fully coupled representations of process level knowledge with all possible compounds, typically relying on heavily parameterised descriptions. Relying on emerging numerical frameworks, and designed for the changing landscape of high-performance computing (HPC), in this study we focus specifically on the ability to capture activity coefficients in liquid solutions using the UNIFAC method. Activity coefficients are often neglected with the largely untested hypothesis that they are simply too computationally expensive to include in dynamic frameworks. We present results demonstrating increased computational efficiency for a range of typical scenarios, including a profiling of the energy use resulting from reliance on such computations. As the landscape of HPC changes, the latter aspect is important to consider in future applications.

Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT.

PubMed

Ringe, Stefan; Oberhofer, Harald; Hille, Christoph; Matera, Sebastian; Reuter, Karsten

2016-08-09

The size-modified Poisson-Boltzmann (MPB) equation is an efficient implicit solvation model which also captures electrolytic solvent effects. It combines an account of the dielectric solvent response with a mean-field description of solvated finite-sized ions. We present a general solution scheme for the MPB equation based on a fast function-space-oriented Newton method and a Green's function preconditioned iterative linear solver. In contrast to popular multigrid solvers, this approach allows us to fully exploit specialized integration grids and optimized integration schemes. We describe a corresponding numerically efficient implementation for the full-potential density-functional theory (DFT) code FHI-aims. We show that together with an additional Stern layer correction the DFT+MPB approach can describe the mean activity coefficient of a KCl aqueous solution over a wide range of concentrations. The high sensitivity of the calculated activity coefficient on the employed ionic parameters thereby suggests to use extensively tabulated experimental activity coefficients of salt solutions for a systematic parametrization protocol.

Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design.

PubMed

Du, Qi-Shi; Huang, Ri-Bo; Wei, Yu-Tuo; Pang, Zong-Wen; Du, Li-Qin; Chou, Kuo-Chen

2009-01-30

In cooperation with the fragment-based design a new drug design method, the so-called "fragment-based quantitative structure-activity relationship" (FB-QSAR) is proposed. The essence of the new method is that the molecular framework in a family of drug candidates are divided into several fragments according to their substitutes being investigated. The bioactivities of molecules are correlated with the physicochemical properties of the molecular fragments through two sets of coefficients in the linear free energy equations. One coefficient set is for the physicochemical properties and the other for the weight factors of the molecular fragments. Meanwhile, an iterative double least square (IDLS) technique is developed to solve the two sets of coefficients in a training data set alternately and iteratively. The IDLS technique is a feedback procedure with machine learning ability. The standard Two-dimensional quantitative structure-activity relationship (2D-QSAR) is a special case, in the FB-QSAR, when the whole molecule is treated as one entity. The FB-QSAR approach can remarkably enhance the predictive power and provide more structural insights into rational drug design. As an example, the FB-QSAR is applied to build a predictive model of neuraminidase inhibitors for drug development against H5N1 influenza virus. (c) 2008 Wiley Periodicals, Inc.

Novel medium-throughput technique for investigating drug-cyclodextrin complexation by pH-metric titration using the partition coefficient method.

PubMed

Dargó, Gergő; Boros, Krisztina; Péter, László; Malanga, Milo; Sohajda, Tamás; Szente, Lajos; Balogh, György T

2018-05-05

The present study was aimed to develop a medium-throughput screening technique for investigation of cyclodextrin (CD)-active pharmaceutical ingredient (API) complexes. Dual-phase potentiometric lipophilicity measurement, as gold standard technique, was combined with the partition coefficient method (plotting the reciprocal of partition coefficients of APIs as a function of CD concentration). A general equation was derived for determination of stability constants of 1:1 CD-API complexes (K 1:1,CD ) based on solely the changes of partition coefficients (logP o/w N -logP app N ), without measurement of the actual API concentrations. Experimentally determined logP value (-1.64) of 6-deoxy-6[(5/6)-fluoresceinylthioureido]-HPBCD (FITC-NH-HPBCD) was used to estimate the logP value (≈ -2.5 to -3) of (2-hydroxypropyl)-ß-cyclodextrin (HPBCD). The results suggested that the amount of HPBCD can be considered to be inconsequential in the octanol phase. The decrease of octanol volume due to the octanol-CD complexation was considered, thus a corrected octanol-water phase ratio was also introduced. The K 1:1,CD values obtained by this developed method showed a good accordance with the results from other orthogonal methods. Copyright © 2018 Elsevier B.V. All rights reserved.

Kinetics of Hydrogen Abstraction and Addition Reactions of 3-Hexene by ȮH Radicals.

PubMed

Yang, Feiyu; Deng, Fuquan; Pan, Youshun; Zhang, Yingjia; Tang, Chenglong; Huang, Zuohua

2017-03-09

Rate coefficients of H atom abstraction and H atom addition reactions of 3-hexene by the hydroxyl radicals were determined using both conventional transition-state theory and canonical variational transition-state theory, with the potential energy surface (PES) evaluated at the CCSD(T)/CBS//BHandHLYP/6-311G(d,p) level and quantum mechanical effect corrected by the compounded methods including one-dimensional Wigner method, multidimensional zero-curvature tunneling method, and small-curvature tunneling method. Results reveal that accounting for approximate 70% of the overall H atom abstractions occur in the allylic site via both direct and indirect channels. The indirect channel containing two van der Waals prereactive complexes exhibits two times larger rate coefficient relative to the direct one. The OH addition reaction also contains two van der Waals complexes, and its submerged barrier results in a negative temperature coefficient behavior at low temperatures. In contrast, The OH addition pathway dominates only at temperatures below 450 K whereas the H atom abstraction reactions dominate overwhelmingly at temperature over 1000 K. All of the rate coefficients calculated with an uncertainty of a factor of 5 were fitted in a quasi-Arrhenius formula. Analyses on the PES, minimum reaction path and activation free Gibbs energy were also performed in this study.

Preliminary Investigation of the Role that DMS (Dimethyl Sulfide) and Cloud Cycles Play in the Formation of the Aerosol Size Distribution.

DTIC Science & Technology

1987-07-29

Osmotic and Activity Coefficients for Aqueous Methane Sulfonic Acid Solutions at 25 deg C," J. Chem. and Eng. Data 18... osmotic coefficient and MSA activity coefficient have been measured by Coving- ton et al. (1973). The water vapor pressure of the solution can be obtained...from f2L(M) M_ (7)6.5 x 10" where -f is the activity coefficient . Values of the osmotic coefficient and activity coefficient (from

A novel method for the activity measurement of large-area beta reference sources.

PubMed

Stanga, D; De Felice, P; Keightley, J; Capogni, M; Ioan, M R

2016-03-01

A novel method has been developed for the activity measurement of large-area beta reference sources. It makes use of two emission rate measurements and is based on the weak dependence between the source activity and the activity distribution for a given value of transmission coefficient. The method was checked experimentally by measuring the activity of two ((60)Co and (137)Cs) large-area reference sources constructed from anodized aluminum foils. Measurement results were compared with the activity values measured by gamma spectrometry. For each source, they agree within one standard uncertainty and also agree within the same limits with the certified values of the source activity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Predicting bioconcentration of chemicals into vegetation from soil or air using the molecular connectivity index

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dowdy, D.L.; McKone, T.E.; Hsieh, D.P.H.

1995-12-31

Bioconcentration factors (BCFs) are the ratio of chemical concentration found in an exposed organism (in this case a plant) to the concentration in an air or soil exposure medium. The authors examine here the use of molecular connectivity indices (MCIs) as quantitative structure-activity relationships (QSARS) for predicting BCFs for organic chemicals between plants and air or soil. The authors compare the reliability of the octanol-air partition coefficient (K{sub oa}) to the MC based prediction method for predicting plant/air partition coefficients. The authors also compare the reliability of the octanol/water partition coefficient (K{sub ow}) to the MC based prediction method formore » predicting plant/soil partition coefficients. The results here indicate that, relative to the use of K{sub ow} or K{sub oa} as predictors of BCFs the MC can substantially increase the reliability with which BCFs can be estimated. The authors find that the MC provides a relatively precise and accurate method for predicting the potential biotransfer of a chemical from environmental media into plants. In addition, the MC is much faster and more cost effective than direct measurements.« less

Towards discrete wavelet transform-based human activity recognition

NASA Astrophysics Data System (ADS)

Khare, Manish; Jeon, Moongu

2017-06-01

Providing accurate recognition of human activities is a challenging problem for visual surveillance applications. In this paper, we present a simple and efficient algorithm for human activity recognition based on a wavelet transform. We adopt discrete wavelet transform (DWT) coefficients as a feature of human objects to obtain advantages of its multiresolution approach. The proposed method is tested on multiple levels of DWT. Experiments are carried out on different standard action datasets including KTH and i3D Post. The proposed method is compared with other state-of-the-art methods in terms of different quantitative performance measures. The proposed method is found to have better recognition accuracy in comparison to the state-of-the-art methods.

[Influence of human activities on groundwater environment based on coefficient variation method].

PubMed

Zhao, Wei; Lin, Jian; Wang, Shu-Fang; Liu, Ji-Lai; Chen, Zhong-Rong; Kou, Wen-Jie

2013-04-01

Groundwater system in the plain area of Beijing can be divided into six subsystems. Due to the different hydrogeological conditions of the subsystems, the degrees to which human activities affect the subsystems are also diverse. In order to evaluate the influence of human activities on each subsystem, the first and second aquifer with relatively poor water quality were chosen to be the evaluating positions, based on the data of groundwater sampled in September, 2011. With respect to human activities affect index such as total hardness, TDS, sulfate and ammonium, variation coefficient methods were used to calculate the weight of each index. Then scores were obtained for each index with national standard as reference, and superposition calculations were used to gain comprehensive scores, finally the groundwater quality conditions were evaluated. Contrast analyses were used to evaluate the incidence of human activities with groundwater subsystems as evaluation unit and water quality partitions as evaluation factors. The results indicate that the influence of human activities on the first aquifer is greater than that of the second aquifer, the Yongding river groundwater subsystems and the Chaobai river groundwater subsystems are affected more than other groundwater subsystems.

Quantitative analysis of the effect of climate change and human activities on runoff in the Liujiang River Basin

NASA Astrophysics Data System (ADS)

LI, X.

2017-12-01

Abstract: As human basic and strategic natural resources, Water resources have received an unprecedented challenge under the impacts of global climate change. Analyzing the variation characteristics of runoff and the effect of climate change and human activities on runoff could provide the basis for the reasonable utilization and management of water resources. Taking the Liujiang River Basin as the research object, the discharge data of hydrological station and meteorological data at 24 meteorological stations in the Guangxi Province as the basis, the variation characteristics of runoff and precipitation in the Liujiang River Basin was analyzed, and the quantitatively effect of climate change and human activities on runoff was proposed. The results showed that runoff and precipitation in the Liujiang River Basin had an increasing trend from 1964 to 2006. Using the method of accumulative anomaly and the orderly cluster method, the runoff series was divided into base period and change period. BP - ANN model and sensitivity coefficient method were used for quantifying the influences of climate change and human activities on runoff. We found that the most important factor which caused an increase trend of discharges in the Liujiang River Basin was precipitation. Human activities were also important factors which influenced the intra-annual distribution of runoff. Precipitation had a more sensitive influence to runoff variation than potential evaporation in the Liujiang River Basin. Key words: Liujiang River Basin, climate change, human activities, BP-ANN, sensitivity coefficient method

A novel method for measuring polymer-water partition coefficients.

PubMed

Zhu, Tengyi; Jafvert, Chad T; Fu, Dafang; Hu, Yue

2015-11-01

Low density polyethylene (LDPE) often is used as the sorbent material in passive sampling devices to estimate the average temporal chemical concentration in water bodies or sediment pore water. To calculate water phase chemical concentrations from LDPE concentrations accurately, it is necessary to know the LDPE-water partition coefficients (KPE-w) of the chemicals of interest. However, even moderately hydrophobic chemicals have large KPE-w values, making direct measurement experimentally difficult. In this study we evaluated a simple three phase system from which KPE-w can be determined easily and accurately. In the method, chemical equilibrium distribution between LDPE and a surfactant micelle pseudo-phase is measured, with the ratio of these concentrations equal to the LDPE-micelle partition coefficient (KPE-mic). By employing sufficient mass of polymer and surfactant (Brij 30), the mass of chemical in the water phase remains negligible, albeit in equilibrium. In parallel, the micelle-water partition coefficient (Kmic-w) is determined experimentally. KPE-w is the product of KPE-mic and Kmic-w. The method was applied to measure values of KPE-w for 17 polycyclic aromatic hydrocarbons, 37 polychlorinated biphenyls, and 9 polybrominated diphenylethers. These values were compared to literature values. Mass fraction-based chemical activity coefficients (γ) were determined in each phase and showed that for each chemical, the micelles and LDPE had nearly identical affinity. Copyright © 2014 Elsevier Ltd. All rights reserved.

Predicting the Activity Coefficients of Free-Solvent for Concentrated Globular Protein Solutions Using Independently Determined Physical Parameters

PubMed Central

McBride, Devin W.; Rodgers, Victor G. J.

2013-01-01

The activity coefficient is largely considered an empirical parameter that was traditionally introduced to correct the non-ideality observed in thermodynamic systems such as osmotic pressure. Here, the activity coefficient of free-solvent is related to physically realistic parameters and a mathematical expression is developed to directly predict the activity coefficients of free-solvent, for aqueous protein solutions up to near-saturation concentrations. The model is based on the free-solvent model, which has previously been shown to provide excellent prediction of the osmotic pressure of concentrated and crowded globular proteins in aqueous solutions up to near-saturation concentrations. Thus, this model uses only the independently determined, physically realizable quantities: mole fraction, solvent accessible surface area, and ion binding, in its prediction. Predictions are presented for the activity coefficients of free-solvent for near-saturated protein solutions containing either bovine serum albumin or hemoglobin. As a verification step, the predictability of the model for the activity coefficient of sucrose solutions was evaluated. The predicted activity coefficients of free-solvent are compared to the calculated activity coefficients of free-solvent based on osmotic pressure data. It is observed that the predicted activity coefficients are increasingly dependent on the solute-solvent parameters as the protein concentration increases to near-saturation concentrations. PMID:24324733

A flower-like nickel oxide nanostructure: synthesis and application for choline sensing.

PubMed

Sattarahmady, N; Heli, H; Dehdari Vais, R

2014-02-01

Flower-like nickel oxide nanostructure was synthesized by a simple desolvation method. The nanostructure was then employed as the modifier of a carbon paste electrode to fabricate a choline sensor. The mechanism and kinetics of the electrocatalytic oxidation of choline on the modified electrode surface were studied by cyclic voltammetry, steady-state polarization curve, and chronoamperometry. The catalytic rate constant and the charge transfer coefficient of the choline electrooxidation process by an active nickel species, and the diffusion coefficient of choline were reported. An amperometric method was developed for determination of choline with a sensitivity of 60.5 mA mol(-1)Lcm(-2) and a limit of detection of 25.4 μmol L(-1). The sensor had the advantages of high electrocatalytic activity and sensitivity, and long-term stability toward choline, with a simple fabrication method without complications of immobilization steps and using any enzyme or reagent. © 2013 Published by Elsevier B.V.

The Relationship between Training and Innovation Activities in Enterprises

ERIC Educational Resources Information Center

Børing, Pål

2017-01-01

We examine the relationship between enterprises' use of employee training (or education) as a method to stimulate new ideas or creativity among their staff and enterprises' innovation activities. A data set of 5204 Norwegian enterprises is used. Based on correlation coefficients, we find a positive relationship between enterprises' use of employee…

Molecular radiotherapy: the NUKFIT software for calculating the time-integrated activity coefficient.

PubMed

Kletting, P; Schimmel, S; Kestler, H A; Hänscheid, H; Luster, M; Fernández, M; Bröer, J H; Nosske, D; Lassmann, M; Glatting, G

2013-10-01

Calculation of the time-integrated activity coefficient (residence time) is a crucial step in dosimetry for molecular radiotherapy. However, available software is deficient in that it is either not tailored for the use in molecular radiotherapy and/or does not include all required estimation methods. The aim of this work was therefore the development and programming of an algorithm which allows for an objective and reproducible determination of the time-integrated activity coefficient and its standard error. The algorithm includes the selection of a set of fitting functions from predefined sums of exponentials and the choice of an error model for the used data. To estimate the values of the adjustable parameters an objective function, depending on the data, the parameters of the error model, the fitting function and (if required and available) Bayesian information, is minimized. To increase reproducibility and user-friendliness the starting values are automatically determined using a combination of curve stripping and random search. Visual inspection, the coefficient of determination, the standard error of the fitted parameters, and the correlation matrix are provided to evaluate the quality of the fit. The functions which are most supported by the data are determined using the corrected Akaike information criterion. The time-integrated activity coefficient is estimated by analytically integrating the fitted functions. Its standard error is determined assuming Gaussian error propagation. The software was implemented using MATLAB. To validate the proper implementation of the objective function and the fit functions, the results of NUKFIT and SAAM numerical, a commercially available software tool, were compared. The automatic search for starting values was successfully tested for reproducibility. The quality criteria applied in conjunction with the Akaike information criterion allowed the selection of suitable functions. Function fit parameters and their standard error estimated by using SAAM numerical and NUKFIT showed differences of <1%. The differences for the time-integrated activity coefficients were also <1% (standard error between 0.4% and 3%). In general, the application of the software is user-friendly and the results are mathematically correct and reproducible. An application of NUKFIT is presented for three different clinical examples. The software tool with its underlying methodology can be employed to objectively and reproducibly estimate the time integrated activity coefficient and its standard error for most time activity data in molecular radiotherapy.

An isometric muscle force estimation framework based on a high-density surface EMG array and an NMF algorithm

NASA Astrophysics Data System (ADS)

Huang, Chengjun; Chen, Xiang; Cao, Shuai; Qiu, Bensheng; Zhang, Xu

2017-08-01

Objective. To realize accurate muscle force estimation, a novel framework is proposed in this paper which can extract the input of the prediction model from the appropriate activation area of the skeletal muscle. Approach. Surface electromyographic (sEMG) signals from the biceps brachii muscle during isometric elbow flexion were collected with a high-density (HD) electrode grid (128 channels) and the external force at three contraction levels was measured at the wrist synchronously. The sEMG envelope matrix was factorized into a matrix of basis vectors with each column representing an activation pattern and a matrix of time-varying coefficients by a nonnegative matrix factorization (NMF) algorithm. The activation pattern with the highest activation intensity, which was defined as the sum of the absolute values of the time-varying coefficient curve, was considered as the major activation pattern, and its channels with high weighting factors were selected to extract the input activation signal of a force estimation model based on the polynomial fitting technique. Main results. Compared with conventional methods using the whole channels of the grid, the proposed method could significantly improve the quality of force estimation and reduce the electrode number. Significance. The proposed method provides a way to find proper electrode placement for force estimation, which can be further employed in muscle heterogeneity analysis, myoelectric prostheses and the control of exoskeleton devices.

Simultaneous reconstruction of emission activity and attenuation coefficient distribution from TOF data, acquired with external transmission source

NASA Astrophysics Data System (ADS)

Panin, V. Y.; Aykac, M.; Casey, M. E.

2013-06-01

The simultaneous PET data reconstruction of emission activity and attenuation coefficient distribution is presented, where the attenuation image is constrained by exploiting an external transmission source. Data are acquired in time-of-flight (TOF) mode, allowing in principle for separation of emission and transmission data. Nevertheless, here all data are reconstructed at once, eliminating the need to trace the position of the transmission source in sinogram space. Contamination of emission data by the transmission source and vice versa is naturally modeled. Attenuated emission activity data also provide additional information about object attenuation coefficient values. The algorithm alternates between attenuation and emission activity image updates. We also proposed a method of estimation of spatial scatter distribution from the transmission source by incorporating knowledge about the expected range of attenuation map values. The reconstruction of experimental data from the Siemens mCT scanner suggests that simultaneous reconstruction improves attenuation map image quality, as compared to when data are separated. In the presented example, the attenuation map image noise was reduced and non-uniformity artifacts that occurred due to scatter estimation were suppressed. On the other hand, the use of transmission data stabilizes attenuation coefficient distribution reconstruction from TOF emission data alone. The example of improving emission images by refining a CT-based patient attenuation map is presented, revealing potential benefits of simultaneous CT and PET data reconstruction.

Asymmetrical flow field-flow fractionation for the analysis of PEG-asparaginase.

PubMed

John, C; Herz, T; Boos, J; Langer, K; Hempel, G

2016-01-01

Monomethoxypolyethylene glycol L-asparaginase (PEG-ASNASE) is the PEGylated version of the enzyme L-asparaginase (ASNASE). Both are used for remission induction in acute lymphoblastic leukemia (ALL) and non-Hodgkin's lymphoma (NHL). The treatment control is generally carried out by performing activity assays, though methods to determine the actual enzyme rather than its activity are rare. Using asymmetrical flow field-flow fractionation (AF4) offered the chance to develop a method capable of simultaneously measuring PEG-ASNASE and PEG. A method validation was performed in accordance with FDA guidelines for PEG-ASNASE from non-biological solutions. The method unfolded a linearity of 15-750 U/mL with coefficients of correlation of r(2)>0.99. The coefficients of variation (CV) for within-run and between-run variability were 1.18-10.15% and 2.43-8.73%, respectively. Furthermore, the method was used to perform stability tests of the product Oncaspar® (PEG-ASNASE) and estimation of the molecular weight by multi-angle light scattering (MALS) of stressed samples to correlate them with the corresponding activity. The findings indicate that Oncaspar® stock solution should not be stored any longer than 24 h at room temperature and cannot be frozen in pure aqueous media. The validated method might be useful for the pharmaceutical industry and its quality control of PEG-ASNASE production. Copyright © 2015 Elsevier B.V. All rights reserved.

International comparison of observation-specific spatial buffers: maximizing the ability to estimate physical activity.

PubMed

Frank, Lawrence D; Fox, Eric H; Ulmer, Jared M; Chapman, James E; Kershaw, Suzanne E; Sallis, James F; Conway, Terry L; Cerin, Ester; Cain, Kelli L; Adams, Marc A; Smith, Graham R; Hinckson, Erica; Mavoa, Suzanne; Christiansen, Lars B; Hino, Adriano Akira F; Lopes, Adalberto A S; Schipperijn, Jasper

2017-01-23

Advancements in geographic information systems over the past two decades have increased the specificity by which an individual's neighborhood environment may be spatially defined for physical activity and health research. This study investigated how different types of street network buffering methods compared in measuring a set of commonly used built environment measures (BEMs) and tested their performance on associations with physical activity outcomes. An internationally-developed set of objective BEMs using three different spatial buffering techniques were used to evaluate the relative differences in resulting explanatory power on self-reported physical activity outcomes. BEMs were developed in five countries using 'sausage,' 'detailed-trimmed,' and 'detailed,' network buffers at a distance of 1 km around participant household addresses (n = 5883). BEM values were significantly different (p < 0.05) for 96% of sausage versus detailed-trimmed buffer comparisons and 89% of sausage versus detailed network buffer comparisons. Results showed that BEM coefficients in physical activity models did not differ significantly across buffering methods, and in most cases BEM associations with physical activity outcomes had the same level of statistical significance across buffer types. However, BEM coefficients differed in significance for 9% of the sausage versus detailed models, which may warrant further investigation. Results of this study inform the selection of spatial buffering methods to estimate physical activity outcomes using an internationally consistent set of BEMs. Using three different network-based buffering methods, the findings indicate significant variation among BEM values, however associations with physical activity outcomes were similar across each buffering technique. The study advances knowledge by presenting consistently assessed relationships between three different network buffer types and utilitarian travel, sedentary behavior, and leisure-oriented physical activity outcomes.

String & Sticky Tape Experiments: Two-Dimensional Collisions Using Pendulums.

ERIC Educational Resources Information Center

Edge, R. D.

1989-01-01

Introduces a method for two-dimensional kinematics measurements by hanging marbles with long strings. Describes experimental procedures for conservation of momentum and obtaining the coefficient of restitution. Provides diagrams and mathematical expressions for the activities. (YP)

Prediction of global ionospheric VTEC maps using an adaptive autoregressive model

NASA Astrophysics Data System (ADS)

Wang, Cheng; Xin, Shaoming; Liu, Xiaolu; Shi, Chuang; Fan, Lei

2018-02-01

In this contribution, an adaptive autoregressive model is proposed and developed to predict global ionospheric vertical total electron content maps (VTEC). Specifically, the spherical harmonic (SH) coefficients are predicted based on the autoregressive model, and the order of the autoregressive model is determined adaptively using the F-test method. To test our method, final CODE and IGS global ionospheric map (GIM) products, as well as altimeter TEC data during low and mid-to-high solar activity period collected by JASON, are used to evaluate the precision of our forecasting products. Results indicate that the predicted products derived from the model proposed in this paper have good consistency with the final GIMs in low solar activity, where the annual mean of the root-mean-square value is approximately 1.5 TECU. However, the performance of predicted vertical TEC in periods of mid-to-high solar activity has less accuracy than that during low solar activity periods, especially in the equatorial ionization anomaly region and the Southern Hemisphere. Additionally, in comparison with forecasting products, the final IGS GIMs have the best consistency with altimeter TEC data. Future work is needed to investigate the performance of forecasting products using the proposed method in an operational environment, rather than using the SH coefficients from the final CODE products, to understand the real-time applicability of the method.

Shape-driven 3D segmentation using spherical wavelets.

PubMed

Nain, Delphine; Haker, Steven; Bobick, Aaron; Tannenbaum, Allen

2006-01-01

This paper presents a novel active surface segmentation algorithm using a multiscale shape representation and prior. We define a parametric model of a surface using spherical wavelet functions and learn a prior probability distribution over the wavelet coefficients to model shape variations at different scales and spatial locations in a training set. Based on this representation, we derive a parametric active surface evolution using the multiscale prior coefficients as parameters for our optimization procedure to naturally include the prior in the segmentation framework. Additionally, the optimization method can be applied in a coarse-to-fine manner. We apply our algorithm to the segmentation of brain caudate nucleus, of interest in the study of schizophrenia. Our validation shows our algorithm is computationally efficient and outperforms the Active Shape Model algorithm by capturing finer shape details.

Synthesis and properties of feruloyl corn bran arabinoxylan esters.

PubMed

Li, Y; Yang, C

2016-06-01

To enhance the antioxidant activity and UV absorption coefficient of corn bran arabinoxylan (CAX), ferulic acid (FA) with this physiological activity is used to modify CAX. Corn bran arabinoxylan was extracted from corn bran according to alkaline hydrogen peroxide (AHP) method. FA was covalently linked to CAX by esterification in a two-step feasible synthesis to generate ferulic acid arabinoxylan esters (FA-CAX). The structure and molecular weight of FA-CAX were characterized by NMR and HPSEC, the degrees of substitution (DS) was determined by HPLC, and the ultraviolet (UV) coefficient of FA-CAX was tested by UV spectroscopy. The antioxidant activity of FA-CAX was investigated on the basis of 2,2'-diphenyl-1-picrylhydrazyl (DPPH) radical assay, and protecting ability of FA-CAX to UV-induced oxidative damage was tested using linolenic acid dispersion as stratum corneum lipid model. The results demonstrated that FA was attached to CAX successfully, and the inherent structure of CAX would not be broken during the process of the synthesis. FA-CAX-1 and FA-CAX-2 contained different amount of FA, with DS at 0.33 and 1.25, respectively, can absorb UV both at UVA and UVB. Moreover, FA-CAX-2 exhibited better antioxidant activity than FA-CAX-1 based on the two test methods. Ferulic acid modified CAX had significant antioxidant ability and UV absorption coefficient. And higher amount of FA leads to higher antioxidant activity and stronger UV absorption and stability. With increasing amount of FA attached to CAX, the antioxidant activities were better and the UV absorption was stronger and more durable. © 2015 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

Active structural control of a floating wind turbine with a stroke-limited hybrid mass damper

NASA Astrophysics Data System (ADS)

Hu, Yaqi; He, Erming

2017-12-01

Floating wind turbines are subjected to more severe structural loads than fixed-bottom wind turbines due to additional degrees of freedom (DOFs) of their floating foundations. It's a promising way of using active structural control method to improve the structural responses of floating wind turbines. This paper investigates an active vibration control strategy for a barge-type floating wind turbine by setting a stroke-limited hybrid mass damper (HMD) in the turbine's nacelle. Firstly, a contact nonlinear modeling method for the floating wind turbine with clearance between the HMD and the stroke limiters is presented based on Euler-Lagrange's equations and an active control model of the whole system is established. The structural parameters are validated for the active control model and an equivalent load coefficient method is presented for identifying the wind and wave disturbances. Then, a state-feedback linear quadratic regulator (LQR) controller is designed to reduce vibration and loads of the wind turbine, and two optimization methods are combined to optimize the weighting coefficients when considering the stroke of the HMD and the active control power consumption as constraints. Finally, the designed controllers are implemented in high fidelity simulations under five typical wind and wave conditions. The results show that active HMD control strategy is shown to be achievable and the designed controllers could further reduce more vibration and loads of the wind turbine under the constraints of stroke limitation and power consumption. "V"-shaped distribution of the TMD suppression effect is inconsistent with the Weibull distribution in practical offshore floating wind farms, and the active HMD control could overcome this shortcoming of the passive TMD.

Rapid analysis of dissolved methane, ethylene, acetylene and ethane using partition coefficients and headspace-gas chromatography.

PubMed

Lomond, Jasmine S; Tong, Anthony Z

2011-01-01

Analysis of dissolved methane, ethylene, acetylene, and ethane in water is crucial in evaluating anaerobic activity and investigating the sources of hydrocarbon contamination in aquatic environments. A rapid chromatographic method based on phase equilibrium between water and its headspace is developed for these analytes. The new method requires minimal sample preparation and no special apparatus except those associated with gas chromatography. Instead of Henry's Law used in similar previous studies, partition coefficients are used for the first time to calculate concentrations of dissolved hydrocarbon gases, which considerably simplifies the calculation involved. Partition coefficients are determined to be 128, 27.9, 1.28, and 96.3 at 30°C for methane, ethylene, acetylene, and ethane, respectively. It was discovered that the volume ratio of gas-to-liquid phase is critical to the accuracy of the measurements. The method performance can be readily improved by reducing the volume ratio of the two phases. Method validation shows less than 6% variation in accuracy and precision except at low levels of methane where interferences occur in ambient air. Method detection limits are determined to be in the low ng/L range for all analytes. The performance of the method is further tested using environmental samples collected from various sites in Nova Scotia.

Reliability and sources of variation of the ABILHAND-Kids questionnaire in children with cerebral palsy.

PubMed

de Jong, Lex D; van Meeteren, Annemiek; Emmelot, Cornelis H; Land, Nanne E; Dijkstra, Pieter U

2018-03-01

To determine reliability of the ABILHAND-Kids, explore sources of variation associated with these measurement results, and generate repeatability coefficients. A reliability study with a repeated measures design was performed in an ambulatory rehabilitation care department from a rehabilitation center, and a center for special education. A physician, an occupational therapist, and parents of 27 children with spastic cerebral palsy independently rated the children's manual capacity when performing 21 standardized tasks of the ABILHAND-Kids from video recordings twice with a three week time interval (27 first-, and 25 second video recordings available). Parents additionally rated their children's performance based on their own perception of their child's ability to perform manual activities in everyday life, resulting in eight ratings per child. ABILHAND-Kids ratings were systematically different between observers, sessions, and rating method. Participant × observer interaction (66%) and residual variance (20%) contributed the most to error variance (9%). Test-retest reliability was 0.92. Repeatability coefficients (between 0.81 and 1.82 logit points) were largest for the parents' performance-based ratings. ABILHAND-Kids scores can be reliably used as a performance- and capacity-based rating method across different raters. Parents' performance-based ratings are less reliable than their capacity-based ratings. Resulting repeatability coefficients can be used to interpret ABILHAND-Kids ratings with more confidence. Implications for Rehabilitation The ABILHAND-Kids is a valuable tool to assess a child's unimanual and bimanual upper limb activities. The reliability of the ABILHANDS-Kids is good across different observers as a performance- and capacity-based rating method. Parents' performance-based ratings are less reliable than their capacity-based ones. This study has generated repeatability coefficients for clinical decision making.

Thermodynamic properties of gadolinium in Ga-Sn and Ga-Zn eutectic based alloys

NASA Astrophysics Data System (ADS)

Maltsev, Dmitry S.; Volkovich, Vladimir A.; Yamshchikov, Leonid F.; Chukin, Andrey V.

2016-09-01

Thermodynamic properties of gadolinium in Ga-Sn and Ga-Zn eutectic based alloys were studied. Temperature dependences of gadolinium activity in the studied alloys were determined at 573-1073 K employing the EMF method. Solubility of gadolinium in the Ga-Sn and Ga-Zn alloys was measured at 462-1073 K using IMCs sedimentation method. Activity coefficients as well as partial and excess thermodynamic functions of gadolinium in the studied alloys were calculated on the basis of the obtained experimental data.

Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP)

NASA Astrophysics Data System (ADS)

Snyder, David A.; Chantova, Mihaela; Chaudhry, Saadia

2015-06-01

NMR spectroscopy is a powerful tool in describing protein structures and protein activity for pharmaceutical and biochemical development. This study describes a method to determine weak binding ligands in biological systems by using hierarchic diffusion coefficient clustering of multidimensional data obtained with a 400 MHz Bruker NMR. Comparison of DOSY spectrums of ligands of the chemical library in the presence and absence of target proteins show translational diffusion rates for small molecules upon interaction with macromolecules. For weak binders such as compounds found in fragment libraries, changes in diffusion rates upon macromolecular binding are on the order of the precision of DOSY diffusion measurements, and identifying such subtle shifts in diffusion requires careful statistical analysis. The "CoLD-CoP" (Clustering of Ligand Diffusion Coefficient Pairs) method presented here uses SAHN clustering to identify protein-binders in a chemical library or even a not fully characterized metabolite mixture. We will show how DOSY NMR and the "CoLD-CoP" method complement each other in identifying the most suitable candidates for lysozyme and wheat germ acid phosphatase.

Thermophysical Properties of Ionic Liquid, 1-Pentyl-3-methylimidazolium Chloride in Water at Different Temperatures

NASA Astrophysics Data System (ADS)

Shekaari, Hemayat; Mousavi, Sedighehnaz S.; Mansoori, Yagoub

2009-04-01

Osmotic coefficients, {φ}, electrical conductance data, Λ, and refractive indices, n D, of aqueous solutions of the ionic liquid, 1-pentyl-3-methylimidazolium chloride [PnMIm]Cl have been measured at T = (298.15, 308.15, 318.15, and 328.15) K. Measurements of osmotic coefficients were carried out by the vapor-pressure osmometry method (VPO). Osmotic coefficient values show that ion-solvent interactions are stronger at lower temperature. The osmotic coefficients were correlated to the Pitzer-ion interaction and modified NRTL (MNRTL) models. From these data, mean molal activity coefficients, γ±, and excess Gibbs free energies, G E, have been calculated. Electrical conductance data have been applied for determination of association constants, K a, and limiting molar conductances, Λ 0, using the low concentration chemical model (lcCM). Calculated ion-association constant, K a, values show that ion-association effects increase at high temperatures which is in agreement with osmotic coefficient results. Experimental results of refractive indices for the binary system are reported, and have been fitted by a polynomial expansion.

Calculation of Drug Solubilities by Pharmacy Students.

ERIC Educational Resources Information Center

Cates, Lindley A.

1981-01-01

A method of estimating the solubilities of drugs in water is reported that is based on a principle applied in quantitative structure-activity relationships. This procedure involves correlation of partition coefficient values using the octanol/water system and aqueous solubility. (Author/MLW)

Atom and receptor based 3D QSAR models for generating new conformations from pyrazolopyrimidine as IL-2 inducible tyrosine kinase inhibitors.

PubMed

Ul-Haq, Zaheer; Effendi, Juweria Shahrukh; Ashraf, Sajda; Bkhaitan, Majdi M

2017-06-01

In the current study, quantitative three-dimensional structure-activity-relationship (3D-QSAR) method was performed to design a model for new chemical entities by utilizing pyrazolopyrimidines. Their inhibiting activity on receptor IL-2 Itk correlates descriptors based on topology and hydrophobicity. The best model developed by ligand-based (atom-based) approach has correlation-coefficient of r 2 : 0.987 and cross-validated squared correlation-coefficient of q 2 : 0.541 with an external prediction capability of r 2 : 0.944. Whereas the best selected model developed by structured-based (receptor-based) approach has correlation-coefficient of r 2 : 0.987, cross-validated squared correlation-coefficient of q 2 : 0.637 with an external predictive ability of r 2 : 0.941. The statistical parameters prove that structure-based gave a better model to design new chemical scaffolds. The results achieved indicated that hydrophobicity at R 1 location play a vital role in the inhibitory activity and introduction of appropriately bulky and strongly hydrophobic-groups at position 3 of the terminal phenyl-group which is highly significant to enhance the activity. Six new pyrazolopyrimidine derivatives were designed. Docking simulation study was carried out and their inhibitory activity was predicted by the best structure based model with predictive activity of ranging from 8.43 to 8.85 log unit. The interacting residues PHE435, ASP500, LYS391, GLU436, MET438, CYS442, ILE369, VAL377 of PDB 4HCT were studied with respect to type of bonding with the new compounds. This study was aimed to search out more potent inhibitors of IL-2 Itk. Copyright © 2017 Elsevier Inc. All rights reserved.

Shape-Driven 3D Segmentation Using Spherical Wavelets

PubMed Central

Nain, Delphine; Haker, Steven; Bobick, Aaron; Tannenbaum, Allen

2013-01-01

This paper presents a novel active surface segmentation algorithm using a multiscale shape representation and prior. We define a parametric model of a surface using spherical wavelet functions and learn a prior probability distribution over the wavelet coefficients to model shape variations at different scales and spatial locations in a training set. Based on this representation, we derive a parametric active surface evolution using the multiscale prior coefficients as parameters for our optimization procedure to naturally include the prior in the segmentation framework. Additionally, the optimization method can be applied in a coarse-to-fine manner. We apply our algorithm to the segmentation of brain caudate nucleus, of interest in the study of schizophrenia. Our validation shows our algorithm is computationally efficient and outperforms the Active Shape Model algorithm by capturing finer shape details. PMID:17354875

Estimation of the absorption coefficients of two-layered media by a simple method using spatially and time-resolved reflectances

NASA Astrophysics Data System (ADS)

Shimada, M.; Sato, C.; Hoshi, Y.; Yamada, Y.

2009-08-01

Our newly developed method using spatially and time-resolved reflectances can easily estimate the absorption coefficients of each layer in a two-layered medium if the thickness of the upper layer and the reduced scattering coefficients of the two layers are known a priori. We experimentally validated this method using phantoms and examined its possibility of estimating the absorption coefficients of the tissues in human heads. In the case of a homogeneous plastic phantom (polyacetal block), the absorption coefficient estimated by our method agreed well with that obtained by a conventional method. Also, in the case of two-layered phantoms, our method successfully estimated the absorption coefficients of the two layers. Furthermore, the absorption coefficients of the extracerebral and cerebral tissue inside human foreheads were estimated under the assumption that the human heads were two-layered media. It was found that the absorption coefficients of the cerebral tissues were larger than those of the extracerebral tissues.

[A correlation between respiration and synthesis of ATP in mitochondria at different degree of uncoupling of oxidative phosphorylation].

PubMed

Samartsev, V N; Kozhina, O V; Polishchuk, L S

2005-01-01

It is known that mitochondrial respiration in state 3 is due to three simultaneous and independent processes: synthesis of ATP (1), endogenous passive proton leakage (2), and proton leakage by protonophoric uncoupler (3). The total rate of processes (2) and (3) is equal to the product of respiration rate in state 4 and coefficient KR, which is defined as the ratio of the deltamuH+ value in state 3 to that in state 4. It is shown that it is possible to calculate both the rates of processes (1), (2) and (3) separately and the protonophoric activity of uncoupler using the coefficient KR and other coefficients, which are determined as the ratio of deltamuH+ values in state 3 or in state 4 to its maximal value. Simple methods of determination of these coefficients were developed, which are based on the study of the dependence of respiration rate in states 3 and 4 on the concentration of protonophoric uncoupler. It was found that the uncoupling action of palmitate, a natural uncoupler of oxidative phosphorylation, unlike classic uncoupler-protonophores DNP and FCCP, depends not only on its protonophoric activity but also on the inhibition of the process (1).

Continuous-energy eigenvalue sensitivity coefficient calculations in TSUNAMI-3D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perfetti, C. M.; Rearden, B. T.

2013-07-01

Two methods for calculating eigenvalue sensitivity coefficients in continuous-energy Monte Carlo applications were implemented in the KENO code within the SCALE code package. The methods were used to calculate sensitivity coefficients for several test problems and produced sensitivity coefficients that agreed well with both reference sensitivities and multigroup TSUNAMI-3D sensitivity coefficients. The newly developed CLUTCH method was observed to produce sensitivity coefficients with high figures of merit and a low memory footprint, and both continuous-energy sensitivity methods met or exceeded the accuracy of the multigroup TSUNAMI-3D calculations. (authors)

Development of a SCALE Tool for Continuous-Energy Eigenvalue Sensitivity Coefficient Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perfetti, Christopher M; Rearden, Bradley T

2013-01-01

Two methods for calculating eigenvalue sensitivity coefficients in continuous-energy Monte Carlo applications were implemented in the KENO code within the SCALE code package. The methods were used to calculate sensitivity coefficients for several criticality safety problems and produced sensitivity coefficients that agreed well with both reference sensitivities and multigroup TSUNAMI-3D sensitivity coefficients. The newly developed CLUTCH method was observed to produce sensitivity coefficients with high figures of merit and low memory requirements, and both continuous-energy sensitivity methods met or exceeded the accuracy of the multigroup TSUNAMI-3D calculations.

Effective screening length and quasiuniversality for the restricted primitive model of an electrolyte solution.

PubMed

Janecek, Jirí; Netz, Roland R

2009-02-21

Monte Carlo simulations for the restricted primitive model of an electrolyte solution above the critical temperature are performed at a wide range of concentrations and temperatures. Thermodynamic properties such as internal energy, osmotic coefficient, activity coefficient, as well as spatial correlation functions are determined. These observables are used to investigate whether quasiuniversality in terms of an effective screening length exists, similar to the role played by the effective electron mass in solid-state physics. To that end, an effective screening length is extracted from the asymptotic behavior of the Fourier-transformed charge-correlation function and plugged into the Debye-Huckel limiting expressions for various thermodynamic properties. Comparison with numerical results is favorable, suggesting that correlation and other effects not captured on the Debye-Huckel limiting level can be successfully incorporated by a single effective parameter while keeping the functional form of Debye-Huckel expressions. We also compare different methods to determine mean ionic activity coefficient in molecular simulations and check the internal consistency of the numerical data.

Effect of plasma actuator and splitter plate on drag coefficient of a circular cylinder

NASA Astrophysics Data System (ADS)

Akbıyık, Hürrem; Erkan Akansu, Yahya; Yavuz, Hakan; Ertuğrul Bay, Ahmet

2016-03-01

In this paper, an experimental study on flow control around a circular cylinder with splitter plate and plasma actuator is investigated. The study is performed in wind tunnel for Reynolds numbers at 4000 and 8000. The wake region of circular cylinder with a splitter plate is analyzed at different angles between 0 and 180 degrees. In this the study, not only plasma actuators are activated but also splitter plate is placed behind the cylinder. A couple electrodes are mounted on circular cylinder at ±90 degrees. Also, flow visualization is achieved by using smoke wire method. Drag coefficient of the circular cylinder with splitter plate and the plasma actuator are obtained for different angles and compared with the plain circular cylinder. While attack angle is 0 degree, drag coefficient is decreased about 20% by using the splitter plate behind the circular cylinder. However, when the plasma actuators are activated, the improvement of the drag reduction is measured to be 50%.

Effectively Improving Extinction Coefficient of Benzodithiophene and Benzodithiophenedione-based Photovoltaic Polymer by Grafting Alkylthio Functional Groups.

PubMed

Wang, Qi; Zhang, Shaoqing; Xu, Bowei; Ye, Long; Yao, Huifeng; Cui, Yong; Zhang, Hao; Yuan, Wenxia; Hou, Jianhui

2016-10-06

Alkylthio groups have received much attention in the polymer community for their molecular design applications in polymer solar cells. In this work, alkylthio substitution on the conjugated thiophene side chains in benzodithiophene (BDT) and benzodithiophenedione (BDD)-based photovoltaic polymer was used to improve the extinction coefficient. The introduction of alkylthio groups into the polymer increased its extinction coefficient while the HOMO levels, bandgaps, and absorption bands remained the same. Thus, the short circuit current density (J sc ) and the efficiency of the device were much better than those of the control device. Thus, introducing the alkylthio functional group in polymer is an effective method to tune the extinction coefficient of photovoltaic polymer. This provides a new path to improve photovoltaic performance without increasing active layer thickness, which will be very helpful to design advanced photovoltaic materials for high photovoltaic performance. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Calculation of gyrotropy coefficients in media with low-pitch helical structures

NASA Astrophysics Data System (ADS)

Dhaouadi, H.; Trabelsi, F.; Riahi, O.; Othman, T.

2018-04-01

Chiral smectic liquid crystals are known for their huge optical activity due to the precession of the anisotropic dielectric tensor around the helicoidal axis. For an oblique direction of the propagating wave, the helix acts as a grating which splits an incident beam in different directions as long as the pitch is not too small with respect to the light wavelength. When the pitch of the helix is smaller than the wavelength, the effect of the helix is a renormalization of the gyrotropic coefficients (g⊥ and g∥) of the resulting uniaxial medium. We report here on a method to compute these coefficients in that limit. Resolution of the Maxwell equations, using a perturbative approach, gives expressions for g⊥ and g∥ as a power development of the ratio (p/λ ) . The various terms of these developments coincide with the approximate expressions of these coefficients known in the literature.

Influence of the composition and high shear stresses on the structure and properties of hybrid materials based on starch and synthetic copolymer.

PubMed

Burmistrov, V A; Lipatova, I M; Losev, N V; Rodicheva, J A; Koifman, O I

2018-09-15

The method of mechanical activation in the rotor-stator device was used to combine the starch hydrogel and the latex of the synthetic copolymer. The compatibility of the components was found to improve consistently by the preliminary mechanoactivation of the starch gel and the joint activation of the mixturs. The joint activation was shown to promote the crystallization of starch and the amorphous phase ordering of the composite. An increase in the starch content and co-activation were found to result in rise in the Young's modulus and tensile strength, but joint activation ensures an increase in the elasticity of the samples. The kinetic parameters of moisture transfer through composite films were estimated. A distinct compensative effect was found, consisted in a significant increase in the sorption coefficient and a decrease in the diffusion coefficient with increasing starch content. Copyright © 2018 Elsevier Ltd. All rights reserved.

Effect of Azospirillum brasilense and Burkholderia unamae Bacteria on Maize Photosynthetic Activity Evaluated Using the Photoacoustic Technique

NASA Astrophysics Data System (ADS)

Gordillo-Delgado, F.; Marín, E.; Calderón, A.

2016-09-01

In this work, the photosynthetic process of maize plants ( Zea mays), which were grown using seeds inoculated with plant growth promoting bacteria Azospirillum brasilense and Burkholderia unamae, was monitored. Photothermal and photobaric signals obtained by a time-resolved photoacoustic measurement configuration were used for measuring the oxygen evolution rate in situ. A frequency-resolved configuration of the method was utilized to determine the oxygen diffusion coefficient and the thermal diffusivity of the maize leaves. The latter parameters, which can be used as indicators of the photosynthetic activity of maize, are found to vary according to the plant-microbe interaction. Treatment with plant growth promoting bacteria induced a decrease in the oxygen diffusion coefficient of about 20 %.

[SIMULTANEOUS MEASUREMENT OF INTRAVENTRICULAR AND PARENCHYMAL INTRACRANIAL PRESSURE IN PATIENTS WITH SEVERE TRAUMA BRAIN INJURY].

PubMed

Oshorov, A V; Popugaev, K A; Savin, I A; Potapov, A A

2016-01-01

"Standard" assessment of ICP by measuring liquor ventricular pressure recently questioned. THE OBJECTIVE OF THE STUDY: Compare the values of ventricular and parenchymal ICP against the closure of open liquor drainage and during active CSF drainage. Examined 7 patients with TBI and intracranial hypertension syndrome, GCS 5.6 ± 1.2 points, 4.2 ± age 33 years. Compared parenchymal and ventricular ICP in three time periods: 1--during closure of ventricular drainage, 2--during of the open drains and drainage at the level of 14-15 mmHg, 3--during the period of active drainage. When comparing two methods of measurement used Bland-Altman method. 1. During time period of the closed drainage correlation coefficient was r = 0.83, p < 0.001. Bland-Altman method: the difference of the two measurements is equal to the minimum and 0.7 mm Hg, the standard deviation of 2.02 mm Hg 2. During time period of the open drainage was reduction of the correlation coefficient to r = 0.46, p < 0.01. Bland-Altman method: an increase in the difference of the two measurements to -0.84 mmHg, standard deviation 2.8 mm Hg 3. During time period of the active drainage of cerebrospinal fluid was marked difference between methods of measurement. Bland-Altman method: the difference was 8.64 mm Hg, and a standard deviation of 2.6 mm Hg. 1. During the closure of the ventricular drainage were good correlation between ventricular and parenchymal ICR 2. During open the liquor drainage correlation between the two methods of measuring the intracranial pressure is reduced. 3. During the active CSF drainage correlation between the two methods of measuring intracranial pressure can be completely lost. Under these conditions, CSF pressure is not correctly reflect the ICP 4. For an accurate and continuous measurement of intracranial pressure on the background of the active CSF drainage should be carried out simultaneous parenchymal ICP measurement.

Nonlinear ARMA models for the D(st) index and their physical interpretation

NASA Technical Reports Server (NTRS)

Vassiliadis, D.; Klimas, A. J.; Baker, D. N.

1996-01-01

Time series models successfully reproduce or predict geomagnetic activity indices from solar wind parameters. A method is presented that converts a type of nonlinear filter, the nonlinear Autoregressive Moving Average (ARMA) model to the nonlinear damped oscillator physical model. The oscillator parameters, the growth and decay, the oscillation frequencies and the coupling strength to the input are derived from the filter coefficients. Mathematical methods are derived to obtain unique and consistent filter coefficients while keeping the prediction error low. These methods are applied to an oscillator model for the Dst geomagnetic index driven by the solar wind input. A data set is examined in two ways: the model parameters are calculated as averages over short time intervals, and a nonlinear ARMA model is calculated and the model parameters are derived as a function of the phase space.

Insight into the structural requirements of proton pump inhibitors based on CoMFA and CoMSIA studies.

PubMed

Nayana, M Ravi Shashi; Sekhar, Y Nataraja; Nandyala, Haritha; Muttineni, Ravikumar; Bairy, Santosh Kumar; Singh, Kriti; Mahmood, S K

2008-10-01

In the present study, a series of 179 quinoline and quinazoline heterocyclic analogues exhibiting inhibitory activity against Gastric (H+/K+)-ATPase were investigated using the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices (CoMSIA) methods. Both the models exhibited good correlation between the calculated 3D-QSAR fields and the observed biological activity for the respective training set compounds. The most optimal CoMFA and CoMSIA models yielded significant leave-one-out cross-validation coefficient, q(2) of 0.777, 0.744 and conventional cross-validation coefficient, r(2) of 0.927, 0.914 respectively. The predictive ability of generated models was tested on a set of 52 compounds having broad range of activity. CoMFA and CoMSIA yielded predicted activities for test set compounds with r(pred)(2) of 0.893 and 0.917 respectively. These validation tests not only revealed the robustness of the models but also demonstrated that for our models r(pred)(2) based on the mean activity of test set compounds can accurately estimate external predictivity. The factors affecting activity were analyzed carefully according to standard coefficient contour maps of steric, electrostatic, hydrophobic, acceptor and donor fields derived from the CoMFA and CoMSIA. These contour plots identified several key features which explain the wide range of activities. The results obtained from models offer important structural insight into designing novel peptic-ulcer inhibitors prior to their synthesis.

Depth-time interpolation of feature trends extracted from mobile microelectrode data with kernel functions.

PubMed

Wong, Stephen; Hargreaves, Eric L; Baltuch, Gordon H; Jaggi, Jurg L; Danish, Shabbar F

2012-01-01

Microelectrode recording (MER) is necessary for precision localization of target structures such as the subthalamic nucleus during deep brain stimulation (DBS) surgery. Attempts to automate this process have produced quantitative temporal trends (feature activity vs. time) extracted from mobile MER data. Our goal was to evaluate computational methods of generating spatial profiles (feature activity vs. depth) from temporal trends that would decouple automated MER localization from the clinical procedure and enhance functional localization in DBS surgery. We evaluated two methods of interpolation (standard vs. kernel) that generated spatial profiles from temporal trends. We compared interpolated spatial profiles to true spatial profiles that were calculated with depth windows, using correlation coefficient analysis. Excellent approximation of true spatial profiles is achieved by interpolation. Kernel-interpolated spatial profiles produced superior correlation coefficient values at optimal kernel widths (r = 0.932-0.940) compared to standard interpolation (r = 0.891). The choice of kernel function and kernel width resulted in trade-offs in smoothing and resolution. Interpolation of feature activity to create spatial profiles from temporal trends is accurate and can standardize and facilitate MER functional localization of subcortical structures. The methods are computationally efficient, enhancing localization without imposing additional constraints on the MER clinical procedure during DBS surgery. Copyright © 2012 S. Karger AG, Basel.

Establishment of quantitative retention-activity model by optimized microemulsion liquid chromatography.

PubMed

Xu, Liyuan; Gao, Haoshi; Li, Liangxing; Li, Yinnong; Wang, Liuyun; Gao, Chongkai; Li, Ning

2016-12-23

The effective permeability coefficient is of theoretical and practical importance in evaluation of the bioavailability of drug candidates. However, most methods currently used to measure this coefficient are expensive and time-consuming. In this paper, we addressed these problems by proposing a new measurement method which is based on the microemulsion liquid chromatography. First, the parallel artificial membrane permeability assays model was used to determine the effective permeability of drug so that quantitative retention-activity relationships could be established, which were used to optimize the microemulsion liquid chromatography. The most effective microemulsion system used a mobile phase of 6.0% (w/w) Brij35, 6.6% (w/w) butanol, 0.8% (w/w) octanol, and 86.6% (w/w) phosphate buffer (pH 7.4). Next, support vector machine and back-propagation neural networks are employed to develop a quantitative retention-activity relationships model associated with the optimal microemulsion system, and used to improve the prediction ability. Finally, an adequate correlation between experimental value and predicted value is computed to verify the performance of the optimal model. The results indicate that the microemulsion liquid chromatography can serve as a possible alternative to the PAMPA method for determination of high-throughput permeability and simulation of biological processes. Copyright © 2016. Published by Elsevier B.V.

Colorimetric Glucose Assay Based on Magnetic Particles Having Pseudo-peroxidase Activity and Immobilized Glucose Oxidase.

PubMed

Martinkova, Pavla; Opatrilova, Radka; Kruzliak, Peter; Styriak, Igor; Pohanka, Miroslav

2016-05-01

Magnetic particles (MPs) are currently used as a suitable alternative for peroxidase in the construction of novel biosensors, analytic and diagnostic methods. Their better chemical and thermal stabilities predestine them as appropriate pseudo-enzymatic catalysts. In this point of view, our research was focused on preparation of simply and fast method for immobilization of glucose oxidase onto surface of MPs with peroxidase-like activity. Spectrophotometric method (wavelength 450 nm) optimized for glucose determination using modified MPs has been successfully developed. Concentration curve for optimization of method was assayed, and Michaelis-Menten constant (K m) calculated, maximum reaction rate (V max), limit of detection, and correlation coefficient were determined to be 0.13 mmol/l (2.34 mg/dl), 1.79 pkat, 3.74 µmol/l (0.067 mg/dl), and 0.996, respectively. Interferences of other sugars such as sucrose, sorbitol, deoxyribose, maltose, and fructose were determined as well as effect of substances presenting in plasma (ascorbic acid, reduced glutathione, trolox, and urea). Results in comparison with positive and negative controls showed no interferences of the other sugars and no influence of plasma substances to measuring of glucose. The constructed method showed corresponding results with linear dependence and a correlation coefficient of 0.997. Possibility of repeated use of modified MPs was successfully proved.

Combined effects of nonparaxiality, optical activity, and walk-off on rogue wave propagation in optical fibers filled with chiral materials.

PubMed

Temgoua, D D Estelle; Tchokonte, M B Tchoula; Kofane, T C

2018-04-01

The generalized nonparaxial nonlinear Schrödinger (NLS) equation in optical fibers filled with chiral materials is reduced to the higher-order integrable Hirota equation. Based on the modified Darboux transformation method, the nonparaxial chiral optical rogue waves are constructed from the scalar model with modulated coefficients. We show that the parameters of nonparaxiality, third-order dispersion, and differential gain or loss term are the main keys to control the amplitude, linear, and nonlinear effects in the model. Moreover, the influence of nonparaxiality, optical activity, and walk-off effect are also evidenced under the defocusing and focusing regimes of the vector nonparaxial NLS equations with constant and modulated coefficients. Through an algorithm scheme of wider applicability on nonparaxial beam propagation methods, the most influential effect and the simultaneous controllability of combined effects are underlined, showing their properties and their potential applications in optical fibers and in a variety of complex dynamical systems.

Combined effects of nonparaxiality, optical activity, and walk-off on rogue wave propagation in optical fibers filled with chiral materials

NASA Astrophysics Data System (ADS)

Temgoua, D. D. Estelle; Tchokonte, M. B. Tchoula; Kofane, T. C.

2018-04-01

The generalized nonparaxial nonlinear Schrödinger (NLS) equation in optical fibers filled with chiral materials is reduced to the higher-order integrable Hirota equation. Based on the modified Darboux transformation method, the nonparaxial chiral optical rogue waves are constructed from the scalar model with modulated coefficients. We show that the parameters of nonparaxiality, third-order dispersion, and differential gain or loss term are the main keys to control the amplitude, linear, and nonlinear effects in the model. Moreover, the influence of nonparaxiality, optical activity, and walk-off effect are also evidenced under the defocusing and focusing regimes of the vector nonparaxial NLS equations with constant and modulated coefficients. Through an algorithm scheme of wider applicability on nonparaxial beam propagation methods, the most influential effect and the simultaneous controllability of combined effects are underlined, showing their properties and their potential applications in optical fibers and in a variety of complex dynamical systems.

Variable distributional characteristics of substrate utilization patterns in activated sludge plants in Kuwait.

PubMed

Al-Mutairi, N Z

2009-02-01

The objective of this study was to determine the magnitude of microbial functional potential and community structure between three different WWTPs using the Lorenz curve method and to find the effect of seasonal variation on patterns of substrate utilization. Lorenz curve method was sensitive enough to detect short-term changes in microbial functional diversity between Riqqa, Umm Al-Haiman and Al-Jahra activated sludge systems and showed seasonal variations of the utilized carbon sources. Gini coefficient ranged from 0.21 to 0.8. Lorenz curves seemed particularly suitable to present microbial heterogeneity in term of inequality and to highlight the relative contribution of low-and high functional diversity for the three different types of mixed liquors. Correlation analysis of the experimental data show that the complement of the Gini coefficient was strongly and positively correlated with the Shannon index (r(xy)=0.89), evenness (r(xy)=0.91), and AWCD (r(xy)=0.95) at the 95% level of significance (alpha=0.05).

Collaborative sparse priors for multi-view ATR

NASA Astrophysics Data System (ADS)

Li, Xuelu; Monga, Vishal

2018-04-01

Recent work has seen a surge of sparse representation based classification (SRC) methods applied to automatic target recognition problems. While traditional SRC approaches used l0 or l1 norm to quantify sparsity, spike and slab priors have established themselves as the gold standard for providing general tunable sparse structures on vectors. In this work, we employ collaborative spike and slab priors that can be applied to matrices to encourage sparsity for the problem of multi-view ATR. That is, target images captured from multiple views are expanded in terms of a training dictionary multiplied with a coefficient matrix. Ideally, for a test image set comprising of multiple views of a target, coefficients corresponding to its identifying class are expected to be active, while others should be zero, i.e. the coefficient matrix is naturally sparse. We develop a new approach to solve the optimization problem that estimates the sparse coefficient matrix jointly with the sparsity inducing parameters in the collaborative prior. ATR problems are investigated on the mid-wave infrared (MWIR) database made available by the US Army Night Vision and Electronic Sensors Directorate, which has a rich collection of views. Experimental results show that the proposed joint prior and coefficient estimation method (JPCEM) can: 1.) enable improved accuracy when multiple views vs. a single one are invoked, and 2.) outperform state of the art alternatives particularly when training imagery is limited.

On iterative algorithms for quantitative photoacoustic tomography in the radiative transport regime

NASA Astrophysics Data System (ADS)

Wang, Chao; Zhou, Tie

2017-11-01

In this paper, we present a numerical reconstruction method for quantitative photoacoustic tomography (QPAT), based on the radiative transfer equation (RTE), which models light propagation more accurately than diffusion approximation (DA). We investigate the reconstruction of absorption coefficient and scattering coefficient of biological tissues. An improved fixed-point iterative method to retrieve the absorption coefficient, given the scattering coefficient, is proposed for its cheap computational cost; the convergence of this method is also proved. The Barzilai-Borwein (BB) method is applied to retrieve two coefficients simultaneously. Since the reconstruction of optical coefficients involves the solutions of original and adjoint RTEs in the framework of optimization, an efficient solver with high accuracy is developed from Gao and Zhao (2009 Transp. Theory Stat. Phys. 38 149-92). Simulation experiments illustrate that the improved fixed-point iterative method and the BB method are competitive methods for QPAT in the relevant cases.

[Accuracy of attenuation coefficient obtained by 137Cs single-transmission scanning in PET: comparison with conventional germanium line source].

PubMed

Matsumoto, Keiichi; Kitamura, Keishi; Mizuta, Tetsuro; Shimizu, Keiji; Murase, Kenya; Senda, Michio

2006-02-20

Transmission scanning can be successfully performed with a Cs-137 single-photon-emitting point source for three-dimensional PET imaging. This method was effective for postinjection transmission scanning because of differences in physical energy. However, scatter contamination in the transmission data lowers measured attenuation coefficients. The purpose of this study was to investigate the accuracy of the influence of object scattering by measuring the attenuation coefficients on the transmission images. We also compared the results with the conventional germanium line source method. Two different types of PET scanner, the SET-3000 G/X (Shimadzu Corp.) and ECAT EXACT HR(+) (Siemens/CTI) , were used. For the transmission scanning, the SET-3000 G/X and ECAT HR(+) were the Cs-137 point source and Ge-68/Ga-68 line source, respectively. With the SET-3000 G/X, we performed transmission measurement at two energy gate settings, the standard 600-800 keV as well as 500-800 keV. The energy gate setting of the ECAT HR(+) was 350-650 keV. The effects of scattering in a uniform phantom with different cross-sectional areas ranging from 201 cm(2) to 314 cm(2) to 628 cm(2) (apposition of the two 20 cm diameter phantoms) and 943 cm(2) (stacking of the three 20 cm diameter phantoms) were acquired without emission activity. First, we evaluated the attenuation coefficients of the two different types of transmission scanning using region of interest (ROI) analysis. In addition, we evaluated the attenuation coefficients with and without segmentation for Cs-137 transmission images using the same analysis. The segmentation method was a histogram-based soft-tissue segmentation process that can also be applied to reconstructed transmission images. In the Cs-137 experiment, the maximum underestimation was 3% without segmentation, which was reduced to less than 1% with segmentation at the center of the largest phantom. In the Ge-68/Ga-68 experiment, the difference in mean attenuation coefficients was stable with all phantoms. We evaluated the accuracy of attenuation coefficients of Cs-137 single-transmission scans. The results for Cs-137 suggest that scattered photons depend on object size. Although Cs-137 single-transmission scans contained scattered photons, attenuation coefficient error could be reduced using by the segmentation method.

Investigation of the electrochemically active surface area and lithium diffusion in graphite anodes by a novel OsO4 staining method

NASA Astrophysics Data System (ADS)

Pfaffmann, Lukas; Birkenmaier, Claudia; Müller, Marcus; Bauer, Werner; Mitsch, Tim; Feinauer, Julian; Krämer, Yvonne; Scheiba, Frieder; Hintennach, Andreas; Schleid, Thomas; Schmidt, Volker; Ehrenberg, Helmut

2016-03-01

Negative electrodes of lithium-ion batteries generally consist of graphite-based active materials. In order to realize batteries with a high current density and therefore accelerated charging processes, the intercalation of lithium and the diffusion processes of these carbonaceous materials must be understood. In this paper, we visualized the electrochemical active surface area for three different anode materials using a novel OsO4 staining method in combination with scanning electron microscopy techniques. The diffusion behavior of these three anode materials is investigated by potentiostatic intermittent titration technique measurements. From those we determine the diffusion coefficient with and without consideration of the electrochemical active surface area.

Automatic liver segmentation in computed tomography using general-purpose shape modeling methods.

PubMed

Spinczyk, Dominik; Krasoń, Agata

2018-05-29

Liver segmentation in computed tomography is required in many clinical applications. The segmentation methods used can be classified according to a number of criteria. One important criterion for method selection is the shape representation of the segmented organ. The aim of the work is automatic liver segmentation using general purpose shape modeling methods. As part of the research, methods based on shape information at various levels of advancement were used. The single atlas based segmentation method was used as the simplest shape-based method. This method is derived from a single atlas using the deformable free-form deformation of the control point curves. Subsequently, the classic and modified Active Shape Model (ASM) was used, using medium body shape models. As the most advanced and main method generalized statistical shape models, Gaussian Process Morphable Models was used, which are based on multi-dimensional Gaussian distributions of the shape deformation field. Mutual information and sum os square distance were used as similarity measures. The poorest results were obtained for the single atlas method. For the ASM method in 10 analyzed cases for seven test images, the Dice coefficient was above 55[Formula: see text], of which for three of them the coefficient was over 70[Formula: see text], which placed the method in second place. The best results were obtained for the method of generalized statistical distribution of the deformation field. The DICE coefficient for this method was 88.5[Formula: see text] CONCLUSIONS: This value of 88.5 [Formula: see text] Dice coefficient can be explained by the use of general-purpose shape modeling methods with a large variance of the shape of the modeled object-the liver and limitations on the size of our training data set, which was limited to 10 cases. The obtained results in presented fully automatic method are comparable with dedicated methods for liver segmentation. In addition, the deforamtion features of the model can be modeled mathematically by using various kernel functions, which allows to segment the liver on a comparable level using a smaller learning set.

Curing kinetics of 4,4‧-Methylenebis epoxy and m-Xylylenediamine

NASA Astrophysics Data System (ADS)

Li, Z. R.; Li, X. D.; Guo, X. Y.

2017-11-01

In this paper, the curing kinetics of 4,4‧-Methylenebis epoxy resin(TGDDM) and m-Xylylenediamine(m-XDA) was investigated by non-isothermal differential scanning calorimetry(DSC) at various heating rates. Selected non-isothermal methods for analyzing curing kinetics were compared. The activation energy(E) and the correlation coefficient(R) were obtained by different isoconversional methods. The reaction order(n) was obtained by the activation energy in different isoconversional methods for the by Crane equation. The results show that the apparent activation energy are 65.23kJ/mol, 52.20 kJ/mol and 66.10 kJ/mol by using the method of Kissinger, Friedman and F-W-O, the reaction order are 0.911, 0.729 and 0.923 by using the method of Kissinger, Friedman and F-W-O.

A rapid method to extract Seebeck coefficient under a large temperature difference

NASA Astrophysics Data System (ADS)

Zhu, Qing; Kim, Hee Seok; Ren, Zhifeng

2017-09-01

The Seebeck coefficient is one of the three important properties in thermoelectric materials. Since thermoelectric materials usually work under large temperature difference in real applications, we propose a quasi-steady state method to accurately measure the Seebeck coefficient under large temperature gradient. Compared to other methods, this method is not only highly accurate but also less time consuming. It can measure the Seebeck coefficient in both the temperature heating up and cooling down processes. In this work, a Zintl material (Mg3.15Nb0.05Sb1.5Bi0.49Te0.01) was tested to extract the Seebeck coefficient from room temperature to 573 K. Compared with a commercialized Seebeck coefficient measurement device (ZEM-3), there is ±5% difference between those from ZEM-3 and this method.

Coefficient Alpha Bootstrap Confidence Interval under Nonnormality

ERIC Educational Resources Information Center

Padilla, Miguel A.; Divers, Jasmin; Newton, Matthew

2012-01-01

Three different bootstrap methods for estimating confidence intervals (CIs) for coefficient alpha were investigated. In addition, the bootstrap methods were compared with the most promising coefficient alpha CI estimation methods reported in the literature. The CI methods were assessed through a Monte Carlo simulation utilizing conditions…

Gas-Phase Reaction Pathways and Rate Coefficients for the Dichlorosilane-Hydrogen and Trichlorosilane-Hydrogen Systems

NASA Technical Reports Server (NTRS)

Dateo, Christopher E.; Walch, Stephen P.

2002-01-01

As part of NASA Ames Research Center's Integrated Process Team on Device/Process Modeling and Nanotechnology our goal is to create/contribute to a gas-phase chemical database for use in modeling microelectronics devices. In particular, we use ab initio methods to determine chemical reaction pathways and to evaluate reaction rate coefficients. Our initial studies concern reactions involved in the dichlorosilane-hydrogen (SiCl2H2--H2) and trichlorosilane-hydrogen (SiCl2H-H2) systems. Reactant, saddle point (transition state), and product geometries and their vibrational harmonic frequencies are determined using the complete-active-space self-consistent-field (CASSCF) electronic structure method with the correlation consistent polarized valence double-zeta basis set (cc-pVDZ). Reaction pathways are constructed by following the imaginary frequency mode of the saddle point to both the reactant and product. Accurate energetics are determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations (CCSD(T)) extrapolated to the complete basis set limit. Using the data from the electronic structure calculations, reaction rate coefficients are obtained using conventional and variational transition state and RRKM theories.

Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP).

PubMed

Snyder, David A; Chantova, Mihaela; Chaudhry, Saadia

2015-06-01

NMR spectroscopy is a powerful tool in describing protein structures and protein activity for pharmaceutical and biochemical development. This study describes a method to determine weak binding ligands in biological systems by using hierarchic diffusion coefficient clustering of multidimensional data obtained with a 400 MHz Bruker NMR. Comparison of DOSY spectrums of ligands of the chemical library in the presence and absence of target proteins show translational diffusion rates for small molecules upon interaction with macromolecules. For weak binders such as compounds found in fragment libraries, changes in diffusion rates upon macromolecular binding are on the order of the precision of DOSY diffusion measurements, and identifying such subtle shifts in diffusion requires careful statistical analysis. The "CoLD-CoP" (Clustering of Ligand Diffusion Coefficient Pairs) method presented here uses SAHN clustering to identify protein-binders in a chemical library or even a not fully characterized metabolite mixture. We will show how DOSY NMR and the "CoLD-CoP" method complement each other in identifying the most suitable candidates for lysozyme and wheat germ acid phosphatase. Copyright © 2015 Elsevier Inc. All rights reserved.

Thermodynamic studies of drug-alpha-cyclodextrin interactions in water at 298.15 K: promazine hydrochloride/chlorpromazine hydrochloride + alpha-cyclodextrin + H(2)O systems.

PubMed

Terdale, Santosh S; Dagade, Dilip H; Patil, Kesharsingh J

2007-12-06

Data on osmotic coefficients have been obtained for a binary aqueous solution of two drugs, namely, promazine hydrochloride (PZ) and chlorpromazine hydrochloride (CPZ) using a vapor pressure osmometer at 298.15 K. The observed critical micelle concentration (cmc) agrees excellently with the available literature data. The measurements are extended to aqueous ternary solutions containing fixed a concentration of alpha-cyclodextrin (alpha-CD) of 0.1 mol kg(-1) and varied concentrations (approximately 0.005-0.2 mol kg(-1)) of drugs at 298.15 K. It has been found that the cmc values increase by the addition of alpha-CD. The mean molal activity coefficients of the ions and the activity coefficient of alpha-CD in binary as well as ternary solutions were obtained, which have been further used to calculate the excess Gibbs free energies and transfer Gibbs free energies. The lowering of the activity coefficients of ions and of alpha-CD is attributed to the existence of host-guest (inclusion)-type complex equilibria. It is suggested that CPZ forms 2:1 and 1:1 complexed species with alpha-CD, while PZ forms only 1:1 complexed species. The salting constant (ks) values are determined at 298.15 K for promazine-alpha-CD and chlorpromazine-alpha-CD complexes, respectively, by following the method based on the application of the McMillan-Mayer theory of virial coefficients to transfer free energy data. It is noted that the presence of chlorine in the drug molecule imparts better complexing capacity, the effect of which gets attenuated as a result of hydrophobic interaction. The results are discussed from the point of view of associative equilibria before the cmc and complexed equilibria for binary and ternary solutions, respectively.

Partial differential equation-based localization of a monopole source from a circular array.

PubMed

Ando, Shigeru; Nara, Takaaki; Levy, Tsukassa

2013-10-01

Wave source localization from a sensor array has long been the most active research topics in both theory and application. In this paper, an explicit and time-domain inversion method for the direction and distance of a monopole source from a circular array is proposed. The approach is based on a mathematical technique, the weighted integral method, for signal/source parameter estimation. It begins with an exact form of the source-constraint partial differential equation that describes the unilateral propagation of wide-band waves from a single source, and leads to exact algebraic equations that include circular Fourier coefficients (phase mode measurements) as their coefficients. From them, nearly closed-form, single-shot and multishot algorithms are obtained that is suitable for use with band-pass/differential filter banks. Numerical evaluation and several experimental results obtained using a 16-element circular microphone array are presented to verify the validity of the proposed method.

Localization of cortical tissue optical changes during seizure activity in vivo with optical coherence tomography

PubMed Central

Eberle, Melissa M.; Hsu, Mike S.; Rodriguez, Carissa L.; Szu, Jenny I.; Oliveira, Michael C.; Binder, Devin K.; Park, B. Hyle

2015-01-01

Optical coherence tomography (OCT) is a high resolution, minimally invasive imaging technique, which can produce depth-resolved cross-sectional images. In this study, OCT was used to detect changes in the optical properties of cortical tissue in vivo in mice during the induction of global (pentylenetetrazol) and focal (4-aminopyridine) seizures. Through the use of a confidence interval statistical method on depth-resolved volumes of attenuation coefficient, we demonstrated localization of regions exhibiting both significant positive and negative changes in attenuation coefficient, as well as differentiating between global and focal seizure propagation. PMID:26137382

Effects of methodological variation on assessment of riboflavin status using the erythrocyte glutathione reductase activation coefficient assay.

PubMed

Hill, Marilyn H E; Bradley, Angela; Mushtaq, Sohail; Williams, Elizabeth A; Powers, Hilary J

2009-07-01

Riboflavin status is usually measured as the in vitro stimulation with flavin adenine dinucleotide of the erythrocyte enzyme glutathione reductase, and expressed as an erythrocyte glutathione reductase activation coefficient (EGRAC). This method is used for the National Diet and Nutrition Surveys (NDNS) of the UK. In the period between the 1990 and 2003 surveys of UK adults, the estimated prevalence of riboflavin deficiency, expressed as an EGRAC value > or = 1.30, increased from 2 to 46 % in males and from 1 to 34 % in females. We hypothesised that subtle but important differences in the detail of the methodology between the two NDNS accounted for this difference. We carried out an evaluation of the performance of the methods used in the two NDNS and compared against an 'in-house' method, using blood samples collected from a riboflavin intervention study. Results indicated that the method used for the 1990 NDNS gave a significantly lower mean EGRAC value than both the 2003 NDNS method and the 'in-house' method (P < 0.0001). The key differences between the methods relate to the concentration of FAD used in the assay and the duration of the period of incubation of FAD with enzyme. The details of the EGRAC method should be standardised for use in different laboratories and over time. Additionally, it is proposed that consideration be given to re-evaluating the basis of the EGRAC threshold for riboflavin deficiency.

[Thermodynamic forecasting of reagents composition for soils decontamination].

PubMed

Nikolaev, V P; Nikolaevskiĭ, V B; Chirkina, I V; Shcheglov, M Iu

2009-01-01

Based on thermodynamic studies, the authors conducted laboratory experiments on searching optimal composition of leaching reagents solution for soils decontamination, when contaminated with Cs-137, of activity coefficient for caesium sulfate microquantities in macrocomponents solutions. The method could be used for modelling the radionuclides phase equillibrium and relocations in soils.

Prediction of Transport Properties of Permeants through Polymer Films. A Simple Gravimetric Experiment.

ERIC Educational Resources Information Center

Britton, L. N.; And Others

1988-01-01

Considers the applicability of the simple emersion/weight-gain method for predicting diffusion coefficients, solubilities, and permeation rates of chemicals in polymers that do not undergo physical and chemical deterioration. Presents the theoretical background, procedures and typical results related to this activity. (CW)

Recovering DC coefficients in block-based DCT.

PubMed

Uehara, Takeyuki; Safavi-Naini, Reihaneh; Ogunbona, Philip

2006-11-01

It is a common approach for JPEG and MPEG encryption systems to provide higher protection for dc coefficients and less protection for ac coefficients. Some authors have employed a cryptographic encryption algorithm for the dc coefficients and left the ac coefficients to techniques based on random permutation lists which are known to be weak against known-plaintext and chosen-ciphertext attacks. In this paper we show that in block-based DCT, it is possible to recover dc coefficients from ac coefficients with reasonable image quality and show the insecurity of image encryption methods which rely on the encryption of dc values using a cryptoalgorithm. The method proposed in this paper combines dc recovery from ac coefficients and the fact that ac coefficients can be recovered using a chosen ciphertext attack. We demonstrate that a method proposed by Tang to encrypt and decrypt MPEG video can be completely broken.

Inferring deep-brain activity from cortical activity using functional near-infrared spectroscopy

PubMed Central

Liu, Ning; Cui, Xu; Bryant, Daniel M.; Glover, Gary H.; Reiss, Allan L.

2015-01-01

Functional near-infrared spectroscopy (fNIRS) is an increasingly popular technology for studying brain function because it is non-invasive, non-irradiating and relatively inexpensive. Further, fNIRS potentially allows measurement of hemodynamic activity with high temporal resolution (milliseconds) and in naturalistic settings. However, in comparison with other imaging modalities, namely fMRI, fNIRS has a significant drawback: limited sensitivity to hemodynamic changes in deep-brain regions. To overcome this limitation, we developed a computational method to infer deep-brain activity using fNIRS measurements of cortical activity. Using simultaneous fNIRS and fMRI, we measured brain activity in 17 participants as they completed three cognitive tasks. A support vector regression (SVR) learning algorithm was used to predict activity in twelve deep-brain regions using information from surface fNIRS measurements. We compared these predictions against actual fMRI-measured activity using Pearson’s correlation to quantify prediction performance. To provide a benchmark for comparison, we also used fMRI measurements of cortical activity to infer deep-brain activity. When using fMRI-measured activity from the entire cortex, we were able to predict deep-brain activity in the fusiform cortex with an average correlation coefficient of 0.80 and in all deep-brain regions with an average correlation coefficient of 0.67. The top 15% of predictions using fNIRS signal achieved an accuracy of 0.7. To our knowledge, this study is the first to investigate the feasibility of using cortical activity to infer deep-brain activity. This new method has the potential to extend fNIRS applications in cognitive and clinical neuroscience research. PMID:25798327

New modeling method and mechanism analyses for active control of interior noise in an irregular enclosure using piezoelectric actuators.

PubMed

Geng, Hou C; Rao, Zhu S; Han, Zu S

2003-03-01

A new modeling method is developed in this paper for the active minimization of noise within a three-dimensional irregular enclosure using distributed lead zirconate titanate piezoelectric (PZT) actuators, and the control mechanisms for irregular enclosure are analyzed. The irregular enclosure is modeled with four rigid walls and two simply supported flexible panels, and PZT actuators are bound to one of the flexible panels. The process of the new modeling method is as follows. First, the modal coupling method is used to establish the motion equations, which contain important coefficients such as modal masses and modal coupling coefficients, etc., of acoustic-structural-piezoelectric coupling system. Then, the acoustic modes and the modal masses of irregular enclosure are calculated by numerical methods. Last, the modal coupling coefficients in motion equations are calculated according to the numerical results of the acoustic modes of irregular enclosure and the modes of two panels. The validity of this modeling method is verified by a regular hexahedron enclosure. Two cost functions are applied to this model. With the two cost functions, good results are obtained in minimizing the sound-pressure level (SPL) within irregular enclosure according to numerical investigations. By comparing the results obtained under controlled and uncontrolled states, the control mechanisms of the system are discussed. It is found that the control mechanisms vary with disturbance frequencies. At most disturbance frequencies, the SPL within enclosure is reduced by restructuring the modes of two panels simultaneously. When the disturbance frequency comes close to one of the natural frequencies of panel a, the dominant mode of panel a is suppressed, while the modes of panel b are reconstructed. While the disturbance frequency is near one of the natural frequencies of panel b, the modes of two panels are restructured at the same time.

An electrochemical acetylcholine sensor based on lichen-like nickel oxide nanostructure.

PubMed

Sattarahmady, N; Heli, H; Vais, R Dehdari

2013-10-15

Lichen-like nickel oxide nanostructure was synthesized by a simple method and characterized. The nanostructure was then applied to modify a carbon paste electrode and for the fabrication of a sensor, and the electrocatalytic oxidation of acetylcholine (ACh) on the modified electrode was investigated. The electrocatalytic efficiency of the nickel oxide nanostructure was compared with nickel micro- and nanoparticles, and the lichen-like nickel oxide nanostructure showed the highest efficiency. The mechanism and kinetics of the electrooxidation process were investigated by cyclic voltammetry, steady-state polarization curve and chronoamperometry. The catalytic rate constant and the charge transfer coefficient of ACh electrooxidation by the active nickel species, and the diffusion coefficient of ACh were reported. A sensitive and time-saving hydrodynamic amperometry method was developed for the determination of ACh. ACh was determined with a sensitivity of 392.4 mA M⁻¹ cm⁻² and a limit of detection of 26.7 μM. The sensor had the advantages of simple fabrication method without using any enzyme or reagent and immobilization step, high electrocatalytic activity, very high sensitivity, long-term stability, and antifouling surface property toward ACh and its oxidation product. Copyright © 2013 Elsevier B.V. All rights reserved.

Intervention criterion and control research for active front steering with consideration of road adhesion

NASA Astrophysics Data System (ADS)

Wu, Xiaojian; Zhou, Bing; Wen, Guilin; Long, Lefei; Cui, Qingjia

2018-04-01

A multi-objective active front steering (AFS) control system considering the road adhesion constraint on vehicle stability is developed using the sliding mode control (SMC) method. First, an identification function combined with the relationship between the yaw rate and the steering angle is developed to determine whether the tyre state is linear or nonlinear. On this basis, an intervention criterion for the AFS system is proposed to improve vehicle handling and stability in emergent conditions. A sideslip angle stability domain enveloped by the upper, lower, left, and right boundaries, as well as the constraint of road adhesion coefficient, is constructed based on the ? phase-plane method. A dynamic weighting coefficient to coordinate the control of yaw rate and sideslip angle, and a control strategy that considers changing control objectives based on the desired yaw rate, the desired sideslip angle, and their proportional weights, are proposed for the SMC controller. Because road adhesion has a significant effect on vehicle stability and to meet the control algorithm's requirement of real-time access to vehicle states, a unscented Kalman filter-based state observer is proposed to estimate the adhesion coefficient and the required states. Finally, simulations are performed using high and low road adhesion conditions in a Matlab/Simulink environment, and the results show that the proposed AFS control system promptly intervenes according to the intervention criterion, effectively improving vehicle handling and stability.

Assessment of curing behavior of light-activated dental composites using intensity correlation based multiple reference optical coherence tomography.

PubMed

Dsouza, Roshan; Subhash, Hrebesh; Neuhaus, Kai; Kantamneni, Ramakrishna; McNamara, Paul M; Hogan, Josh; Wilson, Carol; Leahy, Martin

2016-01-01

Monitoring the curing kinetics of light-activated resin is a key area of research. These resins are used in restorative applications and particularly in dental applications. They can undergo volumetric shrinkage due to poor control of the depth dependent curing process, modulated by the intensity and duration of the curing light source. This often results in the formation of marginal gaps, causing pain and damage to the restoration site. In this study, we demonstrate the capabilities of a correlation method applied using a multiple references optical coherence tomography (MR-OCT) architecture to monitor the curing of the resin. A MR-OCT system is used in this study to monitor the curing of the resin. The system operates at the center wavelength of 1310 nm with an A-scan rate of 1200 A-scans per second. The axial and lateral resolution of the system is ∼13 μm and ∼27 μm. The method to determine the intensity correlation between adjacent B-frames is based on the Pearson correlation coefficient for a region of interest. Calculating the correlation coefficient for multiple B-frames related to the first B-frame at regular spaced time points, shows for a noncured resin a reduction of the correlation coefficient over time due to Brownian motion. The time constant of the reduction of the correlation value is a measure for the progress of the polymerization during LED light irradiation of the resin. The proposed approach is potentially a low-cost, powerful and unique optical imaging modality for measuring the curing behavior of dental resin and other resins, coatings, and adhesives in medical and industrial applications. To demonstrate the proposed method to monitor the curing process, a light-activated resin composite from GRADIA DIRECT ANTERIOR (GC Corporation, Japan) is studied. The curing time of resin was measured and monitored as a function of depth. The correlation coefficient method is highly sensitive to Brownian motion. The process of curing results in a change in intensity as measured by the MR-OCT signal and hence can be monitored using this method. These results show that MR-OCT has the potential to measure the curing time and monitor the curing process as a function of depth. Moreover, MR-OCT as a product has potential to be compact, low-cost and to fit into a smartphone. Using such a device for monitoring the curing of the resin will be suitable for dentists in stationary and mobile clinical settings. © 2015 Wiley Periodicals, Inc.

Combined 3D-QSAR, molecular docking and molecular dynamics study on thyroid hormone activity of hydroxylated polybrominated diphenyl ethers to thyroid receptors β

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Xiaolin; Ye, Li; Wang, Xiaoxiang

2012-12-15

Several recent reports suggested that hydroxylated polybrominated diphenyl ethers (HO-PBDEs) may disturb thyroid hormone homeostasis. To illuminate the structural features for thyroid hormone activity of HO-PBDEs and the binding mode between HO-PBDEs and thyroid hormone receptor (TR), the hormone activity of a series of HO-PBDEs to thyroid receptors β was studied based on the combination of 3D-QSAR, molecular docking, and molecular dynamics (MD) methods. The ligand- and receptor-based 3D-QSAR models were obtained using Comparative Molecular Similarity Index Analysis (CoMSIA) method. The optimum CoMSIA model with region focusing yielded satisfactory statistical results: leave-one-out cross-validation correlation coefficient (q{sup 2}) was 0.571 andmore » non-cross-validation correlation coefficient (r{sup 2}) was 0.951. Furthermore, the results of internal validation such as bootstrapping, leave-many-out cross-validation, and progressive scrambling as well as external validation indicated the rationality and good predictive ability of the best model. In addition, molecular docking elucidated the conformations of compounds and key amino acid residues at the docking pocket, MD simulation further determined the binding process and validated the rationality of docking results. -- Highlights: ► The thyroid hormone activities of HO-PBDEs were studied by 3D-QSAR. ► The binding modes between HO-PBDEs and TRβ were explored. ► 3D-QSAR, molecular docking, and molecular dynamics (MD) methods were performed.« less

QSAR models for predicting octanol/water and organic carbon/water partition coefficients of polychlorinated biphenyls.

PubMed

Yu, S; Gao, S; Gan, Y; Zhang, Y; Ruan, X; Wang, Y; Yang, L; Shi, J

2016-04-01

Quantitative structure-property relationship modelling can be a valuable alternative method to replace or reduce experimental testing. In particular, some endpoints such as octanol-water (KOW) and organic carbon-water (KOC) partition coefficients of polychlorinated biphenyls (PCBs) are easier to predict and various models have been already developed. In this paper, two different methods, which are multiple linear regression based on the descriptors generated using Dragon software and hologram quantitative structure-activity relationships, were employed to predict suspended particulate matter (SPM) derived log KOC and generator column, shake flask and slow stirring method derived log KOW values of 209 PCBs. The predictive ability of the derived models was validated using a test set. The performances of all these models were compared with EPI Suite™ software. The results indicated that the proposed models were robust and satisfactory, and could provide feasible and promising tools for the rapid assessment of the SPM derived log KOC and generator column, shake flask and slow stirring method derived log KOW values of PCBs.

Physically weighted approximations of unsteady aerodynamic forces using the minimum-state method

NASA Technical Reports Server (NTRS)

Karpel, Mordechay; Hoadley, Sherwood Tiffany

1991-01-01

The Minimum-State Method for rational approximation of unsteady aerodynamic force coefficient matrices, modified to allow physical weighting of the tabulated aerodynamic data, is presented. The approximation formula and the associated time-domain, state-space, open-loop equations of motion are given, and the numerical procedure for calculating the approximation matrices, with weighted data and with various equality constraints are described. Two data weighting options are presented. The first weighting is for normalizing the aerodynamic data to maximum unit value of each aerodynamic coefficient. The second weighting is one in which each tabulated coefficient, at each reduced frequency value, is weighted according to the effect of an incremental error of this coefficient on aeroelastic characteristics of the system. This weighting yields a better fit of the more important terms, at the expense of less important ones. The resulting approximate yields a relatively low number of aerodynamic lag states in the subsequent state-space model. The formulation forms the basis of the MIST computer program which is written in FORTRAN for use on the MicroVAX computer and interfaces with NASA's Interaction of Structures, Aerodynamics and Controls (ISAC) computer program. The program structure, capabilities and interfaces are outlined in the appendices, and a numerical example which utilizes Rockwell's Active Flexible Wing (AFW) model is given and discussed.

The power grid AGC frequency bias coefficient online identification method based on wide area information

NASA Astrophysics Data System (ADS)

Wang, Zian; Li, Shiguang; Yu, Ting

2015-12-01

This paper propose online identification method of regional frequency deviation coefficient based on the analysis of interconnected grid AGC adjustment response mechanism of regional frequency deviation coefficient and the generator online real-time operation state by measured data through PMU, analyze the optimization method of regional frequency deviation coefficient in case of the actual operation state of the power system and achieve a more accurate and efficient automatic generation control in power system. Verify the validity of the online identification method of regional frequency deviation coefficient by establishing the long-term frequency control simulation model of two-regional interconnected power system.

A new method for assessment of the sludge disintegration degree with the use of differential centrifugal sedimentation.

PubMed

Silvestri, Daniele; Wacławek, Stanisław; Gončuková, Zuzanna; Padil, Vinod V T; Grübel, Klaudiusz; Černík, Miroslav

2018-05-24

A novel method for assessing the disintegration degree (DD) of waste activated sludge (WAS) with the use of differential centrifugal sedimentation method (DCS) was shown herein. The method was validated for a WAS sample at four levels of disintegration in the range of 14.4-82.6% corresponding to the median particle size range of 8.5-1.6 µm. From the several sludge disintegration methods used (i.e. microwave, alkalization, ultrasounds and peroxydisulfate activated by ultrasounds), the activated peroxydisulfate disintegration resulted in the greatest DD 83% and the smallest median particle size of WAS. Particle size distribution of pretreated sludge, measured by DCS, was in a negative correlation with the DD, determined from soluble chemical oxygen demand (SCOD; determination coefficient of 0.995). Based on the obtained results, it may be concluded that the DCS analysis can approximate the WAS disintegration degree.

A computer program incorporating Pitzer's equations for calculation of geochemical reactions in brines

USGS Publications Warehouse

Plummer, Niel; Parkhurst, D.L.; Fleming, G.W.; Dunkle, S.A.

1988-01-01

The program named PHRQPITZ is a computer code capable of making geochemical calculations in brines and other electrolyte solutions to high concentrations using the Pitzer virial-coefficient approach for activity-coefficient corrections. Reaction-modeling capabilities include calculation of (1) aqueous speciation and mineral-saturation index, (2) mineral solubility, (3) mixing and titration of aqueous solutions, (4) irreversible reactions and mineral water mass transfer, and (5) reaction path. The computed results for each aqueous solution include the osmotic coefficient, water activity , mineral saturation indices, mean activity coefficients, total activity coefficients, and scale-dependent values of pH, individual-ion activities and individual-ion activity coeffients , and scale-dependent values of pH, individual-ion activities and individual-ion activity coefficients. A data base of Pitzer interaction parameters is provided at 25 C for the system: Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O, and extended to include largely untested literature data for Fe(II), Mn(II), Sr, Ba, Li, and Br with provision for calculations at temperatures other than 25C. An extensive literature review of published Pitzer interaction parameters for many inorganic salts is given. Also described is an interactive input code for PHRQPITZ called PITZINPT. (USGS)

Near-Infrared Spectroscopy Assay of Key Quality-Indicative Ingredients of Tongkang Tablets.

PubMed

Pan, Wenjie; Ma, Jinfang; Xiao, Xue; Huang, Zhengwei; Zhou, Huanbin; Ge, Fahuan; Pan, Xin

2017-04-01

The objective of this paper is to develop an easy and fast near-infrared spectroscopy (NIRS) assay for the four key quality-indicative active ingredients of Tongkang tablets by comparing the true content of the active ingredients measured by high performance liquid chromatography (HPLC) and the NIRS data. The HPLC values for the active ingredients content of Cimicifuga glycoside, calycosin glucoside, 5-O-methylvisamminol and hesperidin in Tongkang tablets were set as reference values. The NIRS raw spectra of Tongkang tablets were processed using first-order convolution method. The iterative optimization method was chosen to optimize the band for Cimicifuga glycoside and 5-O-methylvisamminol, and correlation coefficient method was used to determine the optimal band of calycosin glucoside and hesperidin. A near-infrared quantitative calibration model was established for each quality-indicative ingredient by partial least-squares method on the basis of the contents detected by HPLC and the obtained NIRS spectra. The correlation coefficient R 2 values of the four models of Cimicifuga glycoside, calycosin glucoside, 5-O-methylvisamminol and hesperidin were 0.9025, 0.8582, 0.9250, and 0.9325, respectively. It was demonstrated that the accuracy of the validation values was approximately 90% by comparison of the predicted results from NIRS models and the HPLC true values, which suggested that NIRS assay was successfully established and validated. It was expected that the quantitative analysis models of the four indicative ingredients could be used to rapidly perform quality control in industrial production of Tongkang tablets.

Redistribution Principle Approach for Evaluation of Seismic Active Earth Pressure Behind Retaining Wall

NASA Astrophysics Data System (ADS)

Maskar, A. D.; Madhekar, S. N.; Phatak, D. R.

2017-11-01

The knowledge of seismic active earth pressure behind the rigid retaining wall is very essential in the design of retaining wall in earthquake prone regions. Commonly used Mononobe-Okabe (MO) method considers pseudo-static approach. Recently there are many pseudo-dynamic methods used to evaluate the seismic earth pressure. However, available pseudo-static and pseudo-dynamic methods do not incorporate the effect of wall movement on the earth pressure distribution. Dubrova (Interaction between soils and structures, Rechnoi Transport, Moscow, 1963) was the first, who considered such effect and till date, it is used for cohesionless soil, without considering the effect of seismicity. In this paper, Dubrova's model based on redistribution principle, considering the seismic effect has been developed. It is further used to compute the distribution of seismic active earth pressure, in a more realistic manner, by considering the effect of wall movement on the earth pressure, as it is displacement based method. The effects of a wide range of parameters like soil friction angle (ϕ), wall friction angle (δ), horizontal and vertical seismic acceleration coefficients (kh and kv); on seismic active earth pressure (Kae) have been studied. Results are presented for comparison of pseudo-static and pseudo-dynamic methods, to highlight the realistic, non-linearity of seismic active earth pressure distribution. The current study results in the variation of Kae with kh in the same manner as that of MO method and Choudhury and Nimbalkar (Geotech Geol Eng 24(5):1103-1113, 2006) study. To increase in ϕ, there is a reduction in static as well as seismic earth pressure. Also, by keeping constant ϕ value, as kh increases from 0 to 0.3, earth pressure increases; whereas as δ increases, active earth pressure decreases. The seismic active earth pressure coefficient (Kae) obtained from the present study is approximately same as that obtained by previous researchers. Though seismic earth pressure obtained by pseudo-dynamic approach and seismic earth pressure obtained by redistribution principle have different background of formulation, the final earth pressure distribution is approximately same.

Determination of partition coefficients using 1 H NMR spectroscopy and time domain complete reduction to amplitude-frequency table (CRAFT) analysis.

PubMed

Soulsby, David; Chica, Jeryl A M

2017-08-01

We have developed a simple, direct and novel method for the determination of partition coefficients and partitioning behavior using 1 H NMR spectroscopy combined with time domain complete reduction to amplitude-frequency tables (CRAFT). After partitioning into water and 1-octanol using standard methods, aliquots from each layer are directly analyzed using either proton or selective excitation NMR experiments. Signal amplitudes for each compound from each layer are then extracted directly from the time domain data in an automated fashion and analyzed using the CRAFT software. From these amplitudes, log P and log D 7.4 values can be calculated directly. Phase, baseline and internal standard issues, which can be problematic when Fourier transformed data are used, are unimportant when using time domain data. Furthermore, analytes can contain impurities because only a single resonance is examined and need not be UV active. Using this approach, we examined a variety of pharmaceutically relevant compounds and determined partition coefficients that are in excellent agreement with literature values. To demonstrate the utility of this approach, we also examined salicylic acid in more detail demonstrating an aggregation effect as a function of sample loading and partition coefficient behavior as a function of pH value. This method provides a valuable addition to the medicinal chemist toolbox for determining these important constants. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Turbulent transport coefficients in spherical wedge dynamo simulations of solar-like stars

NASA Astrophysics Data System (ADS)

Warnecke, J.; Rheinhardt, M.; Tuomisto, S.; Käpylä, P. J.; Käpylä, M. J.; Brandenburg, A.

2018-01-01

Aims: We investigate dynamo action in global compressible solar-like convective dynamos in the framework of mean-field theory. Methods: We simulate a solar-type star in a wedge-shaped spherical shell, where the interplay between convection and rotation self-consistently drives a large-scale dynamo. To analyze the dynamo mechanism we apply the test-field method for azimuthally (φ) averaged fields to determine the 27 turbulent transport coefficients of the electromotive force, of which six are related to the α tensor. This method has previously been used either in simulations in Cartesian coordinates or in the geodynamo context and is applied here for the first time to fully compressible simulations of solar-like dynamos. Results: We find that the φφ-component of the α tensor does not follow the profile expected from that of kinetic helicity. The turbulent pumping velocities significantly alter the effective mean flows acting on the magnetic field and therefore challenge the flux transport dynamo concept. All coefficients are significantly affected by dynamically important magnetic fields. Quenching as well as enhancement are being observed. This leads to a modulation of the coefficients with the activity cycle. The temporal variations are found to be comparable to the time-averaged values and seem to be responsible for a nonlinear feedback on the magnetic field generation. Furthermore, we quantify the validity of the Parker-Yoshimura rule for the equatorward propagation of the mean magnetic field in the present case.

Calibration of infiltration parameters on hydrological tank model using runoff coefficient of rational method

NASA Astrophysics Data System (ADS)

Suryoputro, Nugroho; Suhardjono, Soetopo, Widandi; Suhartanto, Ery

2017-09-01

In calibrating hydrological models, there are generally two stages of activity: 1) determining realistic model initial parameters in representing natural component physical processes, 2) entering initial parameter values which are then processed by trial error or automatically to obtain optimal values. To determine a realistic initial value, it takes experience and user knowledge of the model. This is a problem for beginner model users. This paper will present another approach to estimate the infiltration parameters in the tank model. The parameters will be approximated by the runoff coefficient of rational method. The value approach of infiltration parameter is simply described as the result of the difference in the percentage of total rainfall minus the percentage of runoff. It is expected that the results of this research will accelerate the calibration process of tank model parameters. The research was conducted on the sub-watershed Kali Bango in Malang Regency with an area of 239,71 km2. Infiltration measurements were carried out in January 2017 to March 2017. Analysis of soil samples at Soil Physics Laboratory, Department of Soil Science, Faculty of Agriculture, Universitas Brawijaya. Rainfall and discharge data were obtained from UPT PSAWS Bango Gedangan in Malang. Temperature, evaporation, relative humidity, wind speed data was obtained from BMKG station of Karang Ploso, Malang. The results showed that the infiltration coefficient at the top tank outlet can be determined its initial value by using the approach of the coefficient of runoff rational method with good result.

A Non-Cut Cell Immersed Boundary Method for Use in Icing Simulations

NASA Technical Reports Server (NTRS)

Sarofeen, Christian M.; Noack, Ralph W.; Kreeger, Richard E.

2013-01-01

This paper describes a computational fluid dynamic method used for modelling changes in aircraft geometry due to icing. While an aircraft undergoes icing, the accumulated ice results in a geometric alteration of the aerodynamic surfaces. In computational simulations for icing, it is necessary that the corresponding geometric change is taken into consideration. The method used, herein, for the representation of the geometric change due to icing is a non-cut cell Immersed Boundary Method (IBM). Computational cells that are in a body fitted grid of a clean aerodynamic geometry that are inside a predicted ice formation are identified. An IBM is then used to change these cells from being active computational cells to having properties of viscous solid bodies. This method has been implemented in the NASA developed node centered, finite volume computational fluid dynamics code, FUN3D. The presented capability is tested for two-dimensional airfoils including a clean airfoil, an iced airfoil, and an airfoil in harmonic pitching motion about its quarter chord. For these simulations velocity contours, pressure distributions, coefficients of lift, coefficients of drag, and coefficients of pitching moment about the airfoil's quarter chord are computed and used for comparison against experimental results, a higher order panel method code with viscous effects, XFOIL, and the results from FUN3D's original solution process. The results of the IBM simulations show that the accuracy of the IBM compares satisfactorily with the experimental results, XFOIL results, and the results from FUN3D's original solution process.

[Correlation coefficient-based classification method of hydrological dependence variability: With auto-regression model as example].

PubMed

Zhao, Yu Xi; Xie, Ping; Sang, Yan Fang; Wu, Zi Yi

2018-04-01

Hydrological process evaluation is temporal dependent. Hydrological time series including dependence components do not meet the data consistency assumption for hydrological computation. Both of those factors cause great difficulty for water researches. Given the existence of hydrological dependence variability, we proposed a correlationcoefficient-based method for significance evaluation of hydrological dependence based on auto-regression model. By calculating the correlation coefficient between the original series and its dependence component and selecting reasonable thresholds of correlation coefficient, this method divided significance degree of dependence into no variability, weak variability, mid variability, strong variability, and drastic variability. By deducing the relationship between correlation coefficient and auto-correlation coefficient in each order of series, we found that the correlation coefficient was mainly determined by the magnitude of auto-correlation coefficient from the 1 order to p order, which clarified the theoretical basis of this method. With the first-order and second-order auto-regression models as examples, the reasonability of the deduced formula was verified through Monte-Carlo experiments to classify the relationship between correlation coefficient and auto-correlation coefficient. This method was used to analyze three observed hydrological time series. The results indicated the coexistence of stochastic and dependence characteristics in hydrological process.

Modeling the variations of reflection coefficient of Earth's lower ionosphere using very low frequency radio wave data by artificial neural network

NASA Astrophysics Data System (ADS)

Ghanbari, Keyvan; Khakian Ghomi, Mehdi; Mohammadi, Mohammad; Marbouti, Marjan; Tan, Le Minh

2016-08-01

The ionized atmosphere lying from 50 to 600 km above surface, known as ionosphere, contains high amount of electrons and ions. Very Low Frequency (VLF) radio waves with frequencies between 3 and 30 kHz are reflected from the lower ionosphere specifically D-region. A lot of applications in long range communications and navigation systems have been inspired by this characteristic of ionosphere. There are several factors which affect the ionization rate in this region, such as: time of day (presence of sun in the sky), solar zenith angle (seasons) and solar activities. Due to nonlinear response of ionospheric reflection coefficient to these factors, finding an accurate relation between these parameters and reflection coefficient is an arduous task. In order to model these kinds of nonlinear functionalities, some numerical methods are employed. One of these methods is artificial neural network (ANN). In this paper, the VLF radio wave data of 4 sudden ionospheric disturbance (SID) stations are given to a multi-layer perceptron ANN in order to simulate the variations of reflection coefficient of D region ionosphere. After training, validation and testing the ANN, outputs of ANN and observed values are plotted together for 2 random cases of each station. By evaluating the results using 2 parameters of pearson correlation coefficient and root mean square error, a satisfying agreement was found between ANN outputs and real observed data.

Experimental Method Development for Estimating Solid-phase Diffusion Coefficients and Material/Air Partition Coefficients of SVOCs

EPA Science Inventory

The solid-phase diffusion coefficient (Dm) and material-air partition coefficient (Kma) are key parameters for characterizing the sources and transport of semivolatile organic compounds (SVOCs) in the indoor environment. In this work, a new experimental method was developed to es...

Costing Hospital Surgery Services: The Method Matters

PubMed Central

Mercier, Gregoire; Naro, Gerald

2014-01-01

Background Accurate hospital costs are required for policy-makers, hospital managers and clinicians to improve efficiency and transparency. However, different methods are used to allocate direct costs, and their agreement is poorly understood. The aim of this study was to assess the agreement between bottom-up and top-down unit costs of a large sample of surgical operations in a French tertiary centre. Methods Two thousand one hundred and thirty consecutive procedures performed between January and October 2010 were analysed. Top-down costs were based on pre-determined weights, while bottom-up costs were calculated through an activity-based costing (ABC) model. The agreement was assessed using correlation coefficients and the Bland and Altman method. Variables associated with the difference between methods were identified with bivariate and multivariate linear regressions. Results The correlation coefficient amounted to 0.73 (95%CI: 0.72; 0.76). The overall agreement between methods was poor. In a multivariate analysis, the cost difference was independently associated with age (Beta = −2.4; p = 0.02), ASA score (Beta = 76.3; p<0.001), RCI (Beta = 5.5; p<0.001), staffing level (Beta = 437.0; p<0.001) and intervention duration (Beta = −10.5; p<0.001). Conclusions The ability of the current method to provide relevant information to managers, clinicians and payers is questionable. As in other European countries, a shift towards time-driven activity-based costing should be advocated. PMID:24817167

Electrochemical reduction of carbon fluorine bond in 4-fluorobenzonitrile Mechanistic analysis employing Marcus Hush quadratic activation-driving force relation

NASA Astrophysics Data System (ADS)

Muthukrishnan, A.; Sangaranarayanan, M. V.

2007-10-01

The reduction of carbon-fluorine bond in 4-fluorobenzonitrile in acetonitrile as the solvent, is analyzed using convolution potential sweep voltammetry and the dependence of the transfer coefficient on potential is investigated within the framework of Marcus-Hush quadratic activation-driving force theory. The validity of stepwise mechanism is inferred from solvent reorganization energy estimates as well as bond length calculations using B3LYP/6-31g(d) method. A novel method of estimating the standard reduction potential of the 4-fluorobenzonitrile in acetonitrile is proposed.

A new method for the preparation of a [Sn2(H2PO2)3]Br SHG-active polar crystal via surfactant-induced strategy.

PubMed

Xie, Jie-Ling; Zhou, Yu-Hua; Li, Long-Hua; Zhang, Jian-Han; Song, Jun-Ling

2017-07-25

Herein, unprecedented NLO-brominated tin hypophosphites, namely [Sn 2 (H 2 PO 2 ) 3 ]Br, were discovered via a facile surfactant-induced method, which displayed a moderate powder SHG intensity (3.0 × KDP) in type - I phase matching behavior. This complex has high chemical and thermal stability at room temperature. DFT calculations and SHG coefficient analyses revealed that the alignment of the SHG-active-units SnO 3 trigonal pyramids and Br - anions in its structure mainly contribute to the macroscopical SHG behaviors.

Analysis of diffusion and binding in cells using the RICS approach.

PubMed

Digman, Michelle A; Gratton, Enrico

2009-04-01

The movement of macromolecules in cells is assumed to occur either through active transport or by diffusion. However, the determination of the diffusion coefficients in cells using fluctuation methods or FRAP frequently give diffusion coefficient that are orders of magnitude smaller than the diffusion coefficients measured for the same macromolecule in solution. It is assumed that the cell internal viscosity is partially responsible for this decrease in the apparent diffusion. When the apparent diffusion is too slow to be due to cytoplasm viscosity, it is assumed that weak binding of the macromolecules to immobile or quasi immobile structures is taking place. In this article, we derive equations for fitting of the RICS (Raster-scan Image Correlations Spectroscopy) data in cells to a model that includes transient binding to immobile structures, and we show that under some conditions, the spatio-temporal correlation provided by the RICS approach can distinguish the process of diffusion and weak binding. We apply the method to determine the diffusion in the cytoplasm and binding of Focal Adhesion Kinase-EGFP to adhesions in MEF cells.

A Study of the Diffusion, Electrochemical Mobility and Removal of Dissolved Copper in a Saturated Porous Medium.

DTIC Science & Technology

1980-11-01

aqueous solutions : use of activity coefficients in transition-state models: Geochimica et Cosmochimica Acta, v...native state at 25°C at any activity level below 10+46.0 in an aqueous solution . Because such an activity level is impossible, sodium cannot be reduced...stoichiometric coefficients . It is necessary to calculqte the activity coefficients of dissolved copper in the test solutions in order to render an

Expanding the calculation of activation volumes: Self-diffusion in liquid water

NASA Astrophysics Data System (ADS)

Piskulich, Zeke A.; Mesele, Oluwaseun O.; Thompson, Ward H.

2018-04-01

A general method for calculating the dependence of dynamical time scales on macroscopic thermodynamic variables from a single set of simulations is presented. The approach is applied to the pressure dependence of the self-diffusion coefficient of liquid water as a particularly useful illustration. It is shown how the activation volume associated with diffusion can be obtained directly from simulations at a single pressure, avoiding approximations that are typically invoked.

Parametric Method Performance for Dynamic 3'-Deoxy-3'-18F-Fluorothymidine PET/CT in Epidermal Growth Factor Receptor-Mutated Non-Small Cell Lung Carcinoma Patients Before and During Therapy.

PubMed

Kramer, Gerbrand Maria; Frings, Virginie; Heijtel, Dennis; Smit, E F; Hoekstra, Otto S; Boellaard, Ronald

2017-06-01

The objective of this study was to validate several parametric methods for quantification of 3'-deoxy-3'- 18 F-fluorothymidine ( 18 F-FLT) PET in advanced-stage non-small cell lung carcinoma (NSCLC) patients with an activating epidermal growth factor receptor mutation who were treated with gefitinib or erlotinib. Furthermore, we evaluated the impact of noise on accuracy and precision of the parametric analyses of dynamic 18 F-FLT PET/CT to assess the robustness of these methods. Methods : Ten NSCLC patients underwent dynamic 18 F-FLT PET/CT at baseline and 7 and 28 d after the start of treatment. Parametric images were generated using plasma input Logan graphic analysis and 2 basis functions-based methods: a 2-tissue-compartment basis function model (BFM) and spectral analysis (SA). Whole-tumor-averaged parametric pharmacokinetic parameters were compared with those obtained by nonlinear regression of the tumor time-activity curve using a reversible 2-tissue-compartment model with blood volume fraction. In addition, 2 statistically equivalent datasets were generated by countwise splitting the original list-mode data, each containing 50% of the total counts. Both new datasets were reconstructed, and parametric pharmacokinetic parameters were compared between the 2 replicates and the original data. Results: After the settings of each parametric method were optimized, distribution volumes (V T ) obtained with Logan graphic analysis, BFM, and SA all correlated well with those derived using nonlinear regression at baseline and during therapy ( R 2 ≥ 0.94; intraclass correlation coefficient > 0.97). SA-based V T images were most robust to increased noise on a voxel-level (repeatability coefficient, 16% vs. >26%). Yet BFM generated the most accurate K 1 values ( R 2 = 0.94; intraclass correlation coefficient, 0.96). Parametric K 1 data showed a larger variability in general; however, no differences were found in robustness between methods (repeatability coefficient, 80%-84%). Conclusion: Both BFM and SA can generate quantitatively accurate parametric 18 F-FLT V T images in NSCLC patients before and during therapy. SA was more robust to noise, yet BFM provided more accurate parametric K 1 data. We therefore recommend BFM as the preferred parametric method for analysis of dynamic 18 F-FLT PET/CT studies; however, SA can also be used. © 2017 by the Society of Nuclear Medicine and Molecular Imaging.

Novel Spectrophotometric Method for the Quantitation of Urinary Xanthurenic Acid and Its Application in Identifying Individuals with Hyperhomocysteinemia Associated with Vitamin B6 Deficiency

PubMed Central

Chen, Chi-Fen; Liu, Tsan-Zon; Lan, Wu-Hsiang; Wu, Li-An; Tsai, Chin-Hung; Chiou, Jeng-Fong; Tsai, Li-Yu

2013-01-01

A novel spectrophotometric method for the quantification of urinary xanthurenic acid (XA) is described. The direct acid ferric reduction (DAFR) procedure was used to quantify XA after it was purified by a solid-phase extraction column. The linearity of proposed method extends from 2.5 to 100.0 mg/L. The method is precise, yielding day-to-day CVs for two pooled controls of 3.5% and 4.6%, respectively. Correlation studies with an established HPLC method and a fluorometric procedure showed correlation coefficients of 0.98 and 0.98, respectively. Interference from various urinary metabolites was insignificant. In a small-scale screening of elderly conducted at Penghu county in Taiwan (n = 80), we were able to identify a group of twenty individuals having hyperhomocysteinemia (>15 μmole/L). Three of them were found to be positive for XA as analyzed by the proposed method, which correlated excellently with the results of the activation coefficient method for RBC's AST/B6 functional test. These data confirm the usefulness of the proposed method for identifying urinary XA as an indicator of vitamin B6 deficiency-associated hyperhomocysteinemic condition. PMID:24151616

Wavelet-Based Motion Artifact Removal for Electrodermal Activity

PubMed Central

Chen, Weixuan; Jaques, Natasha; Taylor, Sara; Sano, Akane; Fedor, Szymon; Picard, Rosalind W.

2017-01-01

Electrodermal activity (EDA) recording is a powerful, widely used tool for monitoring psychological or physiological arousal. However, analysis of EDA is hampered by its sensitivity to motion artifacts. We propose a method for removing motion artifacts from EDA, measured as skin conductance (SC), using a stationary wavelet transform (SWT). We modeled the wavelet coefficients as a Gaussian mixture distribution corresponding to the underlying skin conductance level (SCL) and skin conductance responses (SCRs). The goodness-of-fit of the model was validated on ambulatory SC data. We evaluated the proposed method in comparison with three previous approaches. Our method achieved a greater reduction of artifacts while retaining motion-artifact-free data. PMID:26737714

Nondestructive Method For Measuring The Scattering Coefficient Of Bulk Material

NASA Astrophysics Data System (ADS)

Groenhuis, R. A. J.; ten Bosch, J. J.

1981-05-01

During demineralization and remineralization of dental enamel its structure changes resulting in a change of the absorption and scattering coefficients of the enamel. By measuring these coefficients during demineralization and remineralization these processes can be monitored in a non-destructive way. For this purpose an experimental arrangement was made: a fibre illuminates a spot on the sample with monochromatic light with a wave-length between 400 nm and 700 nm; a photomultiplier measures the luminance of the light back-scattered by the sample as a function of the distance from the measuring snot to the spot of illumination. In a Monte Carlo-model this luminance is simulated using the same geometry given the scattering and absorption coefficients in a sample. Then the scattering and absorption coefficients in the sample are determined by selecting the theoretical curve fitting the experimental one. Scattering coefficients below 10 mm-1 and absorption coefficients obtained with this method on calibration samples correspond well with those obtained with another method. Scattering coefficients above 10 mm-1 (paper samples) were measured ton low. This perhaps is caused by the anisotropic structure of paper sheets. The method is very suitable to measure the scattering and absorption coefficients of bulk materials.

Determination of Activity Coefficients of di-(2-ethylhexyl) Phosphoric Acid Dimer in Select Organic Solvents Using Vapor Phase Osmometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michael F. Gray; Peter Zalupski; Mikael Nilsson

2013-08-01

Effective models for solvent extraction require accurate characterization of the nonideality effects for each component, including the extractants. In this study, the nonideal behavior of the industrial extractant di(2-ethylhexyl) phosphoric acid has been investigated using vapor pressure osmometry (VPO). From the osmometry data, activity coefficients for the HDEHP dimer were obtained based on a formulation of the regular solution theory of Scatchard and Hildebrand, and the Margules two- and three-suffix equations. The results show similarity with a slope-analysis based relation from previous literature, although important differences are highlighted. The work points towards VPO as a useful technique for this typemore » of study, but care must be taken with the choice of standard and method of analysis.« less

Noninvasive photoacoustic measurement of absorption coefficient using internal light irradiation of cylindrical diffusing fiber

NASA Astrophysics Data System (ADS)

Peng, Dong-qing; Zhu, Li-li; Li, Zhi-fang; Li, Hui

2017-09-01

Absorption coefficient of biological tissue is an important parameter in biomedicine, but its determination remains a challenge. In this paper, we propose a method using focusing photoacoustic imaging technique and internal light irradiation of cylindrical diffusing fiber (CDF) to quantify the target optical absorption coefficient. Absorption coefficients for ink absorbers are firstly determined through photoacoustic and spectrophotometric measurements at the same excitation, which demonstrates the feasibility of this method. Also, the optical absorption coefficients of ink absorbers with several concentrations are measured. Finally, the two-dimensional scanning photoacoustic image is obtained. Optical absorption coefficient measurement and simultaneous photoacoustic imaging of absorber non-invasively are the typical characteristics of the method. This method can play a significant role for non-invasive determination of blood oxygen saturation, the absorption-based imaging and therapy.

Determination of octanol-air partition coefficients and supercooled liquid vapor pressures of PAHs as a function of temperature: Application to gas-particle partitioning in an urban atmosphere

NASA Astrophysics Data System (ADS)

Odabasi, Mustafa; Cetin, Eylem; Sofuoglu, Aysun

Octanol-air partition coefficients ( KOA) for 14 polycyclic aromatic hydrocarbons (PAHs) were determined as a function of temperature using the gas chromatographic retention time method. log KOA values at 25° ranged over six orders of magnitude, between 6.34 (acenaphthylene) and 12.59 (dibenz[ a,h]anthracene). The determined KOA values were within factor of 0.7 (dibenz[ a,h]anthracene) to 15.1 (benz[ a]anthracene) of values calculated as the ratio of octanol-water partition coefficient to dimensionless Henry's law constant. Supercooled liquid vapor pressures ( PL) of 13 PAHs were also determined using the gas chromatographic retention time technique. Activity coefficients in octanol calculated using KOA and PL ranged between 3.2 and 6.2 indicating near-ideal solution behavior. Atmospheric concentrations measured in this study in Izmir, Turkey were used to investigate the partitioning of PAHs between particle and gas-phases. Experimental gas-particle partition coefficients ( Kp) were compared to the predictions of KOA absorption and KSA (soot-air partition coefficient) models. Octanol-based absorptive partitioning model predicted lower partition coefficients especially for relatively volatile PAHs. Ratios of measured/modeled partition coefficients ranged between 1.1 and 15.5 (4.5±6.0, average±SD) for KOA model. KSA model predictions were relatively better and measured to modeled ratios ranged between 0.6 and 5.6 (2.3±2.7, average±SD).

Simultaneous estimation of diet composition and calibration coefficients with fatty acid signature data

USGS Publications Warehouse

Bromaghin, Jeffrey F.; Budge, Suzanne M.; Thiemann, Gregory W.; Rode, Karyn D.

2017-01-01

Knowledge of animal diets provides essential insights into their life history and ecology, although diet estimation is challenging and remains an active area of research. Quantitative fatty acid signature analysis (QFASA) has become a popular method of estimating diet composition, especially for marine species. A primary assumption of QFASA is that constants called calibration coefficients, which account for the differential metabolism of individual fatty acids, are known. In practice, however, calibration coefficients are not known, but rather have been estimated in feeding trials with captive animals of a limited number of model species. The impossibility of verifying the accuracy of feeding trial derived calibration coefficients to estimate the diets of wild animals is a foundational problem with QFASA that has generated considerable criticism. We present a new model that allows simultaneous estimation of diet composition and calibration coefficients based only on fatty acid signature samples from wild predators and potential prey. Our model performed almost flawlessly in four tests with constructed examples, estimating both diet proportions and calibration coefficients with essentially no error. We also applied the model to data from Chukchi Sea polar bears, obtaining diet estimates that were more diverse than estimates conditioned on feeding trial calibration coefficients. Our model avoids bias in diet estimates caused by conditioning on inaccurate calibration coefficients, invalidates the primary criticism of QFASA, eliminates the need to conduct feeding trials solely for diet estimation, and consequently expands the utility of fatty acid data to investigate aspects of ecology linked to animal diets.

Partitioning and lipophilicity in quantitative structure-activity relationships.

PubMed Central

Dearden, J C

1985-01-01

The history of the relationship of biological activity to partition coefficient and related properties is briefly reviewed. The dominance of partition coefficient in quantitation of structure-activity relationships is emphasized, although the importance of other factors is also demonstrated. Various mathematical models of in vivo transport and binding are discussed; most of these involve partitioning as the primary mechanism of transport. The models describe observed quantitative structure-activity relationships (QSARs) well on the whole, confirming that partitioning is of key importance in in vivo behavior of a xenobiotic. The partition coefficient is shown to correlate with numerous other parameters representing bulk, such as molecular weight, volume and surface area, parachor and calculated indices such as molecular connectivity; this is especially so for apolar molecules, because for polar molecules lipophilicity factors into both bulk and polar or hydrogen bonding components. The relationship of partition coefficient to chromatographic parameters is discussed, and it is shown that such parameters, which are often readily obtainable experimentally, can successfully supplant partition coefficient in QSARs. The relationship of aqueous solubility with partition coefficient is examined in detail. Correlations are observed, even with solid compounds, and these can be used to predict solubility. The additive/constitutive nature of partition coefficient is discussed extensively, as are the available schemes for the calculation of partition coefficient. Finally the use of partition coefficient to provide structural information is considered. It is shown that partition coefficient can be a valuable structural tool, especially if the enthalpy and entropy of partitioning are available. PMID:3905374

The Hildebrand solubility parameters of ionic liquids-part 2.

PubMed

Marciniak, Andrzej

2011-01-01

The Hildebrand solubility parameters have been calculated for eight ionic liquids. Retention data from the inverse gas chromatography measurements of the activity coefficients at infinite dilution were used for the calculation. From the solubility parameters, the enthalpies of vaporization of ionic liquids were estimated. Results are compared with solubility parameters estimated by different methods.

Aqueous Binary Lanthanide(III) Nitrate Ln(NO3)3 Electrolytes Revisited: Extended Pitzer and Bromley Treatments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chatterjee, Sayandev; Campbell, Emily L.; Neiner, Doinita

To date, only limited thermodynamic models describing activity coefficients of the aqueous solutions of lanthanide ions are available. This work expands the existing experimental osmotic coefficient data obtained by classical isopiestic technique for the aqueous binary trivalent lanthanide nitrate Ln(NO3)3 solutions using a combination of water activity and vapor pressure osmometry measurements. The combined osmotic coefficient database for each aqueous lanthanide nitrate at 25°C, consisting of literature available data as well as data obtained in this work, was used to test the validity of Pitzer and Bromley thermodynamic models for the accurate prediction of mean molal activity coefficients of themore » Ln(NO3)3 solutions in wide concentration ranges. The new and improved Pitzer and Bromley parameters were calculated. It was established that the Ln(NO3)3 activity coefficients in the solutions with ionic strength up to 12 mol kg-1 can be estimated by both Pitzer and single-parameter Bromley models, even though the latter provides for more accurate prediction, particularly in the lower ionic strength regime (up to 6 mol kg-1). On the other hand for the concentrated solutions, the extended three-parameter Bromley model can be employed to predict the Ln(NO3)3 activity coefficients with remarkable accuracy. The accuracy of the extended Bromley model in predicting the activity coefficients was greater than ~95% and ~90% for all solutions with the ionic strength up to 12 mol kg-1 and and 20 mol kg-1, respectively. This is the first time that the activity coefficients for concentrated lanthanide solutions have been predicted with such a remarkable accuracy.« less

Comparison of prediction methods for octanol-air partition coefficients of diverse organic compounds.

PubMed

Fu, Zhiqiang; Chen, Jingwen; Li, Xuehua; Wang, Ya'nan; Yu, Haiying

2016-04-01

The octanol-air partition coefficient (KOA) is needed for assessing multimedia transport and bioaccumulability of organic chemicals in the environment. As experimental determination of KOA for various chemicals is costly and laborious, development of KOA estimation methods is necessary. We investigated three methods for KOA prediction, conventional quantitative structure-activity relationship (QSAR) models based on molecular structural descriptors, group contribution models based on atom-centered fragments, and a novel model that predicts KOA via solvation free energy from air to octanol phase (ΔGO(0)), with a collection of 939 experimental KOA values for 379 compounds at different temperatures (263.15-323.15 K) as validation or training sets. The developed models were evaluated with the OECD guidelines on QSAR models validation and applicability domain (AD) description. Results showed that although the ΔGO(0) model is theoretically sound and has a broad AD, the prediction accuracy of the model is the poorest. The QSAR models perform better than the group contribution models, and have similar predictability and accuracy with the conventional method that estimates KOA from the octanol-water partition coefficient and Henry's law constant. One QSAR model, which can predict KOA at different temperatures, was recommended for application as to assess the long-range transport potential of chemicals. Copyright © 2016 Elsevier Ltd. All rights reserved.

[Study on influence between activated carbon property and immobilized biological activated carbon purification effect].

PubMed

Wang, Guang-zhi; Li, Wei-guang; He, Wen-jie; Han, Hong-da; Ding, Chi; Ma, Xiao-na; Qu, Yan-ming

2006-10-01

By means of immobilizing five kinds of activated carbon, we studied the influence between the chief activated carbon property items and immobilized bioactivated carbon (IBAC) purification effect with the correlation analysis. The result shows that the activated carbon property items which the correlation coefficient is up 0.7 include molasses, abrasion number, hardness, tannin, uniform coefficient, mean particle diameter and effective particle diameter; the activated carbon property items which the correlation coefficient is up 0.5 include pH, iodine, butane and tetrachloride. In succession, the partial correlation analysis shows that activated carbon property items mostly influencing on IBAC purification effect include molasses, hardness, abrasion number, uniform coefficient, mean particle diameter and effective particle diameter. The causation of these property items bringing influence on IBAC purification is that the activated carbon holes distribution (representative activated carbon property item is molasses) provides inhabitable location and adjust food for the dominance bacteria; the mechanical resist-crash property of activated carbon (representative activated carbon property items: abrasion number and hardness) have influence on the stability of biofilm; and the particle diameter size and distribution of activated carbon (representative activated carbon property items: uniform coefficient, mean particle diameter and effective particle diameter) can directly affect the force of water in IBAC filter bed, which brings influence on the dominance bacteria immobilizing on activated carbon.

A new in-situ method to determine the apparent gas diffusion coefficient of soils

NASA Astrophysics Data System (ADS)

Laemmel, Thomas; Paulus, Sinikka; Schack-Kirchner, Helmer; Maier, Martin

2015-04-01

Soil aeration is an important factor for the biological activity in the soil and soil respiration. Generally, gas exchange between soil and atmosphere is assumed to be governed by diffusion and Fick's Law is used to describe the fluxes in the soil. The "apparent soil gas diffusion coefficient" represents the proportional factor between the flux and the gas concentration gradient in the soil and reflects the ability of the soil to "transport passively" gases through the soil. One common way to determine this coefficient is to take core samples in the field and determine it in the lab. Unfortunately this method is destructive and needs laborious field work and can only reflect a small fraction of the whole soil. As a consequence insecurity about the resulting effective diffusivity on the profile scale must remain. We developed a new in-situ method using new gas sampling device, tracer gas and inverse soil gas modelling. The gas sampling device contains several sampling depths and can be easily installed into vertical holes of an auger, which allows for fast installation of the system. At the lower end of the device inert tracer gas is injected continuously. The tracer gas diffuses into the surrounding soil. The resulting distribution of the tracer gas concentrations is used to deduce the diffusivity profile of the soil. For Finite Element Modeling of the gas sampling device/soil system the program COMSOL is used. We will present the results of a field campaign comparing the new in-situ method with lab measurements on soil cores. The new sampling pole has several interesting advantages: it can be used in-situ and over a long time; so it allows following modifications of diffusion coefficients in interaction with rain but also vegetation cycle and wind.

Quantitative structure activity relationship studies of piperazinyl phenylalanine derivatives as VLA-4/VCAM-1 inhibitors.

PubMed

Bhargava, Dinesh; Karthikeyan, C; Moorthy, N S H N; Trivedi, Piyush

2009-09-01

QSAR study was carried out for a series of piperazinyl phenylalanine derivatives exhibiting VLA-4/VCAM-1 inhibitory activity to find out the structural features responsible for the biological activity. The QSAR study was carried out on V-life Molecular Design Suite software and the derived best QSAR model by partial least square (forward) regression method showed 85.67% variation in biological activity. The statistically significant model with high correlation coefficient (r2=0.85) was selected for further study and the resulted validation parameters of the model, crossed squared correlation coefficient (q2=0.76 and pred_r2=0.42) show the model has good predictive ability. The model showed that the parameters SaaNEindex, SsClcount slogP,and 4PathCount are highly correlated with VLA-4/VCAM-1 inhibitory activity of piperazinyl phenylalanine derivatives. The result of the study suggests that the chlorine atoms in the molecule and fourth order fragmentation patterns in the molecular skeleton favour VLA-4/VCAM-1 inhibition shown by the title compounds whereas lipophilicity and nitrogen bonded to aromatic bond are not conducive for VLA-4/VCAM-1 inhibitory activity.

Improved method for calculating neoclassical transport coefficients in the banana regime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taguchi, M., E-mail: taguchi.masayoshi@nihon-u.ac.jp

The conventional neoclassical moment method in the banana regime is improved by increasing the accuracy of approximation to the linearized Fokker-Planck collision operator. This improved method is formulated for a multiple ion plasma in general tokamak equilibria. The explicit computation in a model magnetic field shows that the neoclassical transport coefficients can be accurately calculated in the full range of aspect ratio by the improved method. The some neoclassical transport coefficients for the intermediate aspect ratio are found to appreciably deviate from those obtained by the conventional moment method. The differences between the transport coefficients with these two methods aremore » up to about 20%.« less

Protein dynamics in organic media at varying water activity studied by molecular dynamics simulation.

PubMed

Wedberg, Rasmus; Abildskov, Jens; Peters, Günther H

2012-03-01

In nonaqueous enzymology, control of enzyme hydration is commonly approached by fixing the thermodynamic water activity of the medium. In this work, we present a strategy for evaluating the water activity in molecular dynamics simulations of proteins in water/organic solvent mixtures. The method relies on determining the water content of the bulk phase and uses a combination of Kirkwood-Buff theory and free energy calculations to determine corresponding activity coefficients. We apply the method in a molecular dynamics study of Candida antarctica lipase B in pure water and the organic solvents methanol, tert-butyl alcohol, methyl tert-butyl ether, and hexane, each mixture at five different water activities. It is shown that similar water activity yields similar enzyme hydration in the different solvents. However, both solvent and water activity are shown to have profound effects on enzyme structure and flexibility.

Psychometric properties of the modified RESIDE physical activity questionnaire among low-income overweight women.

PubMed

Jones, Sydney A; Evenson, Kelly R; Johnston, Larry F; Trost, Stewart G; Samuel-Hodge, Carmen; Jewell, David A; Kraschnewski, Jennifer L; Keyserling, Thomas C

2015-01-01

This study explored the criterion-related validity and test-retest reliability of the modified RESIDential Environment physical activity questionnaire and whether the instrument's validity varied by body mass index, education, race/ethnicity, or employment status. Validation study using baseline data collected for randomized trial of a weight loss intervention. Participants recruited from health departments wore an ActiGraph accelerometer and self-reported non-occupational walking, moderate and vigorous physical activity on the modified RESIDential Environment questionnaire. We assessed validity (n=152) using Spearman correlation coefficients, and reliability (n=57) using intraclass correlation coefficients. When compared to steps, moderate physical activity, and bouts of moderate/vigorous physical activity measured by accelerometer, these questionnaire measures showed fair evidence for validity: recreational walking (Spearman correlation coefficients 0.23-0.36), total walking (Spearman correlation coefficients 0.24-0.37), and total moderate physical activity (Spearman correlation coefficients 0.18-0.36). Correlations for self-reported walking and moderate physical activity were higher among unemployed participants and women with lower body mass indices. Generally no other variability in the validity of the instrument was found. Evidence for reliability of RESIDential Environment measures of recreational walking, total walking, and total moderate physical activity was substantial (intraclass correlation coefficients 0.56-0.68). Evidence for questionnaire validity and reliability varied by activity domain and was strongest for walking measures. The questionnaire may capture physical activity less accurately among women with higher body mass indices and employed participants. Capturing occupational activity, specifically walking at work, may improve questionnaire validity. Copyright © 2014 Sports Medicine Australia. Published by Elsevier Ltd. All rights reserved.

Mathematical modeling of tetrahydroimidazole benzodiazepine-1-one derivatives as an anti HIV agent

NASA Astrophysics Data System (ADS)

Ojha, Lokendra Kumar

2017-07-01

The goal of the present work is the study of drug receptor interaction via QSAR (Quantitative Structure-Activity Relationship) analysis for 89 set of TIBO (Tetrahydroimidazole Benzodiazepine-1-one) derivatives. MLR (Multiple Linear Regression) method is utilized to generate predictive models of quantitative structure-activity relationships between a set of molecular descriptors and biological activity (IC50). The best QSAR model was selected having a correlation coefficient (r) of 0.9299 and Standard Error of Estimation (SEE) of 0.5022, Fisher Ratio (F) of 159.822 and Quality factor (Q) of 1.852. This model is statistically significant and strongly favours the substitution of sulphur atom, IS i.e. indicator parameter for -Z position of the TIBO derivatives. Two other parameter logP (octanol-water partition coefficient) and SAG (Surface Area Grid) also played a vital role in the generation of best QSAR model. All three descriptor shows very good stability towards data variation in leave-one-out (LOO).

TEMPERATURE COEFFICIENTS OF HETEROGENEOUS U-238-U-235 FUELED REACTORS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Astley, E.R.; Mansius, C.A.

1958-05-14

An analytical method of determining the effective reactivity coefficient from fundamental cross sections using the four factor formula is presented. Values of the coefficient obtained by this method compare well with experiment. (A.C.)

Improvement of non-destructive fissile mass assays in α low-level waste drums: A matrix correction method based on neutron capture gamma-rays and a neutron generator

NASA Astrophysics Data System (ADS)

Jallu, F.; Loche, F.

2008-08-01

Within the framework of radioactive waste control, non-destructive assay (NDA) methods may be employed. The active neutron interrogation (ANI) method is now well-known and effective in quantifying low α-activity fissile masses (mainly 235U, 239Pu, 241Pu) with low densities, i.e. less than about 0.4, in radioactive waste drums of volumes up to 200 l. The PROMpt Epithermal and THErmal interrogation Experiment (PROMETHEE [F. Jallu, A. Mariani, C. Passard, A.-C. Raoux, H. Toubon, Alpha low level waste control: improvement of the PROMETHEE 6 assay system performances. Nucl. Technol. 153 (January) (2006); C. Passard, A. Mariani, F. Jallu, J. Romeyer-Dherber, H. Recroix, M. Rodriguez, J. Loridon, C. Denis, PROMETHEE: an alpha low level waste assay system using passive and active neutron measurement methods. Nucl. Technol. 140 (December) (2002) 303-314]) based on ANI has been under development since 1996 to reach the incinerating α low level waste (LLW) criterion of about 50 Bq[α] per gram of crude waste (≈50 μg Pu) in 118 l drums on the date the drums are conditioned. Difficulties arise when dealing with matrices containing neutron energy moderators such as H and neutron absorbents such as Cl. These components may have a great influence on the fissile mass deduced from the neutron signal measured by ANI. For example, the calibration coefficient measured in a 118 l drum containing a cellulose matrix (density d = 0.144 g cm -3) may be 50 times higher than that obtained in a poly-vinyl-chloride matrix ( d = 0.253 g cm -3). Without any information on the matrix, the fissile mass is often overestimated due to safety procedures and by considering the most disadvantageous calibration coefficient corresponding to the most absorbing and moderating calibration matrix. The work discussed in this paper was performed at the CEA Nuclear Measurement Laboratory in France. It concerns the development of a matrix effect correction method, which consists in identifying and quantifying the matrix components by using prompt gamma-rays following neutron capture. The method aims to refine the value of the adequate calibration coefficient used for ANI analysis. This paper presents the final results obtained for 118 l waste drums with low α-activity and low density. This paper discusses the experimental and modelling studies and describes the development of correction abacuses based on gamma-ray spectrometry signals.

QSAR models for thiophene and imidazopyridine derivatives inhibitors of the Polo-Like Kinase 1.

PubMed

Comelli, Nieves C; Duchowicz, Pablo R; Castro, Eduardo A

2014-10-01

The inhibitory activity of 103 thiophene and 33 imidazopyridine derivatives against Polo-Like Kinase 1 (PLK1) expressed as pIC50 (-logIC50) was predicted by QSAR modeling. Multivariate linear regression (MLR) was employed to model the relationship between 0D and 3D molecular descriptors and biological activities of molecules using the replacement method (MR) as variable selection tool. The 136 compounds were separated into several training and test sets. Two splitting approaches, distribution of biological data and structural diversity, and the statistical experimental design procedure D-optimal distance were applied to the dataset. The significance of the training set models was confirmed by statistically higher values of the internal leave one out cross-validated coefficient of determination (Q2) and external predictive coefficient of determination for the test set (Rtest2). The model developed from a training set, obtained with the D-optimal distance protocol and using 3D descriptor space along with activity values, separated chemical features that allowed to distinguish high and low pIC50 values reasonably well. Then, we verified that such model was sufficient to reliably and accurately predict the activity of external diverse structures. The model robustness was properly characterized by means of standard procedures and their applicability domain (AD) was analyzed by leverage method. Copyright © 2014 Elsevier B.V. All rights reserved.

A classical mechanics model for the interpretation of piezoelectric property data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bell, Andrew J., E-mail: a.j.bell@leeds.ac.uk

2015-12-14

In order to provide a means of understanding, the relationship between the primary electromechanical coefficients and simple crystal chemistry parameters for piezoelectric materials, a static analysis of a 3 atom, dipolar molecule has been undertaken to derive relationships for elastic compliance s{sup E}, dielectric permittivity ε{sup X}, and piezoelectric charge coefficient d in terms of an effective ionic charge and two inter-atomic force constants. The relationships demonstrate the mutual interdependence of the three coefficients, in keeping with experimental evidence from a large dataset of commercial piezoelectric materials. It is shown that the electromechanical coupling coefficient k is purely an expressionmore » of the asymmetry in the two force constants or bond compliances. The treatment is extended to show that the quadratic electrostriction relation between strain and polarization, in both centrosymmetric and non-centrosymmetric systems, is due to the presence of a non-zero 2nd order term in the bond compliance. Comparison with experimental data explains the counter-intuitive, positive correlation of k with s{sup E} and ε{sup X} and supports the proposition that high piezoelectric activity in single crystals is dominated by large compliance coupled with asymmetry in the sub-cell force constants. However, the analysis also shows that in polycrystalline materials, the dielectric anisotropy of the constituent crystals can be more important for attaining large charge coefficients. The model provides a completely new methodology for the interpretation of piezoelectric and electrostrictive property data and suggests methods for rapid screening for high activity in candidate piezoelectric materials, both experimentally and by novel interrogation of ab initio calculations.« less

Molecular Modeling on Berberine Derivatives toward BuChE: An Integrated Study with Quantitative Structure-Activity Relationships Models, Molecular Docking, and Molecular Dynamics Simulations.

PubMed

Fang, Jiansong; Pang, Xiaocong; Wu, Ping; Yan, Rong; Gao, Li; Li, Chao; Lian, Wenwen; Wang, Qi; Liu, Ai-lin; Du, Guan-hua

2016-05-01

A dataset of 67 berberine derivatives for the inhibition of butyrylcholinesterase (BuChE) was studied based on the combination of quantitative structure-activity relationships models, molecular docking, and molecular dynamics methods. First, a series of berberine derivatives were reported, and their inhibitory activities toward butyrylcholinesterase (BuChE) were evaluated. By 2D- quantitative structure-activity relationships studies, the best model built by partial least-square had a conventional correlation coefficient of the training set (R(2)) of 0.883, a cross-validation correlation coefficient (Qcv2) of 0.777, and a conventional correlation coefficient of the test set (Rpred2) of 0.775. The model was also confirmed by Y-randomization examination. In addition, the molecular docking and molecular dynamics simulation were performed to better elucidate the inhibitory mechanism of three typical berberine derivatives (berberine, C2, and C55) toward BuChE. The predicted binding free energy results were consistent with the experimental data and showed that the van der Waals energy term (ΔEvdw) difference played the most important role in differentiating the activity among the three inhibitors (berberine, C2, and C55). The developed quantitative structure-activity relationships models provide details on the fine relationship linking structure and activity and offer clues for structural modifications, and the molecular simulation helps to understand the inhibitory mechanism of the three typical inhibitors. In conclusion, the results of this study provide useful clues for new drug design and discovery of BuChE inhibitors from berberine derivatives. © 2015 John Wiley & Sons A/S.

Evaluating linear response in active systems with no perturbing field

NASA Astrophysics Data System (ADS)

Szamel, Grzegorz

2017-03-01

We present a method for the evaluation of time-dependent linear response functions for systems of active particles propelled by a persistent (colored) noise from unperturbed simulations. The method is inspired by the Malliavin weights sampling method proposed by Warren and Allen (Phys. Rev. Lett., 109 (2012) 250601) for out-of-equilibrium systems of passive Brownian particles. We illustrate our method by evaluating two linear response functions for a single active particle in an external harmonic potential. As an application, we calculate the time-dependent mobility function and an effective temperature, defined through the Einstein relation between the self-diffusion and mobility coefficients, for a system of many active particles interacting via a screened Coulomb potential. We find that this effective temperature decreases with increasing persistence time of the self-propulsion. Initially, for not too large persistence times, it changes rather slowly, but then it decreases markedly when the persistence length of the self-propelled motion becomes comparable with the particle size.

Evaluating linear response in active systems with no perturbing field: Application to the calculation of an effective temperature

NASA Astrophysics Data System (ADS)

Szamel, Grzegorz

We present a method for the evaluation of time-dependent linear response functions for systems of active particles propelled by a persistent (colored) noise from unperturbed simulations. The method is inspired by the Malliavin weights sampling method proposed earlier for systems of (passive) Brownian particles. We illustrate our method by evaluating a linear response function for a single active particle in an external harmonic potential. As an application, we calculate the time-dependent mobility function and an effective temperature, defined through the Einstein relation between the self-diffusion and mobility coefficients, for a system of active particles interacting via a screened-Coulomb potential. We find that this effective temperature decreases with increasing persistence time of the self-propulsion. Initially, for not too large persistence times, it changes rather slowly, but then it decreases markedly when the persistence length of the self-propelled motion becomes comparable with the particle size. Supported by NSF and ERC.

Active vibration control for flexible rotor by optimal direct-output feedback control

NASA Technical Reports Server (NTRS)

Nonami, Kenzou; Dirusso, Eliseo; Fleming, David P.

1989-01-01

Experimental research tests were performed to actively control the rotor vibrations of a flexible rotor mounted on flexible bearing supports. The active control method used in the tests is called optimal direct-output feedback control. This method uses four electrodynamic actuators to apply control forces directly to the bearing housings in order to achieve effective vibration control of the rotor. The force actuators are controlled by an analog controller that accepts rotor displacement as input. The controller is programmed with experimentally determined feedback coefficients; the output is a control signal to the force actuators. The tests showed that this active control method reduced the rotor resonance peaks due to unbalance from approximately 250 micrometers down to approximately 25 micrometers (essentially runout level). The tests were conducted over a speed range from 0 to 10,000 rpm; the rotor system had nine critical speeds within this speed range. The method was effective in significantly reducing the rotor vibration for all of the vibration modes and critical speeds.

Active vibration control for flexible rotor by optimal direct-output feedback control

NASA Technical Reports Server (NTRS)

Nonami, K.; Dirusso, E.; Fleming, D. P.

1989-01-01

Experimental research tests were performed to actively control the rotor vibrations of a flexible rotor mounted on flexible bearing supports. The active control method used in the tests is called optimal direct-output feedback control. This method uses four electrodynamic actuators to apply control forces directly to the bearing housings in order to achieve effective vibration control of the rotor. The force actuators are controlled by an analog controller that accepts rotor displacement as input. The controller is programmed with experimentally determined feedback coefficients; the output is a control signal to the force actuators. The tests showed that this active control method reduced the rotor resonance peaks due to unbalance from approximately 250 microns down to approximately 25 microns (essentially runout level). The tests were conducted over a speed range from 0 to 10,000 rpm; the rotor system had nine critical speeds within this speed range. The method was effective in significantly reducing the rotor vibration for all of the vibration modes and critical speeds.

Graph characterization via Ihara coefficients.

PubMed

Ren, Peng; Wilson, Richard C; Hancock, Edwin R

2011-02-01

The novel contributions of this paper are twofold. First, we demonstrate how to characterize unweighted graphs in a permutation-invariant manner using the polynomial coefficients from the Ihara zeta function, i.e., the Ihara coefficients. Second, we generalize the definition of the Ihara coefficients to edge-weighted graphs. For an unweighted graph, the Ihara zeta function is the reciprocal of a quasi characteristic polynomial of the adjacency matrix of the associated oriented line graph. Since the Ihara zeta function has poles that give rise to infinities, the most convenient numerically stable representation is to work with the coefficients of the quasi characteristic polynomial. Moreover, the polynomial coefficients are invariant to vertex order permutations and also convey information concerning the cycle structure of the graph. To generalize the representation to edge-weighted graphs, we make use of the reduced Bartholdi zeta function. We prove that the computation of the Ihara coefficients for unweighted graphs is a special case of our proposed method for unit edge weights. We also present a spectral analysis of the Ihara coefficients and indicate their advantages over other graph spectral methods. We apply the proposed graph characterization method to capturing graph-class structure and clustering graphs. Experimental results reveal that the Ihara coefficients are more effective than methods based on Laplacian spectra.

A parameter identification method for the rotordynamic coefficients of a high Reynolds number hydrostatic bearing

NASA Technical Reports Server (NTRS)

Rouvas, C.; Childs, D. W.

1993-01-01

In identifying the rotordynamic coefficients of a high-Reynolds-number hydrostatic bearing, fluid-flow induced forces present a unique problem, in that they provide an unmeasureable and uncontrollable excitation to the bearing. An analysis method is developed that effectively eliminates the effects of fluid-flow induced excitation on the estimation of the bearing rotordynamic coefficients, by using power spectral densities. In addition to the theoretical development, the method is verified experimentally by single-frequency testing, and repeatability tests. Results obtained for a bearing are the twelve rotordynamic coefficients (stiffness, damping, and inertia coefficients) as functions of eccentricity ratio, speed, and supply pressure.

A simple method of measuring the effective SRS coefficient in single-mode optical fibres and the range of its applicability

NASA Astrophysics Data System (ADS)

Shikhaliev, I. I.; Gainov, V. V.; Dorozhkin, A. N.; Nanii, O. E.; Konyshev, V. A.; Treshchikov, V. N.

2017-11-01

This paper describes techniques for measuring the SRS coefficient in a wide spectral range, including the region of small Stokes shifts. A simple, approximate method is proposed for evaluating the SRS coefficient near a gain peak. Spectral dependences of the SRS coefficient are presented for various telecom fibres.

Electric Motor Thermal Management R&D. Annual Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bennion, Kevin

With the push to reduce component volumes, lower costs, and reduce weight without sacrificing performance or reliability, the challenges associated with thermal management increase for power electronics and electric motors. Thermal management for electric motors will become more important as the automotive industry continues the transition to more electrically dominant vehicle propulsion systems. The transition to more electrically dominant propulsion systems leads to higher-power duty cycles for electric drive systems. Thermal constraints place significant limitations on how electric motors ultimately perform, and as thermal management improves, there will be a direct trade-off between motor performance, efficiency, cost, and the sizingmore » of electric motors to operate within the thermal constraints. The goal of this research project is to support broad industry demand for data, analysis methods, and experimental techniques to improve and better understand motor thermal management. Work in FY15 focused on two areas related to motor thermal management: passive thermal performance and active convective cooling. Passive thermal performance emphasized the thermal impact of materials and thermal interfaces among materials within an assembled motor. The research tasks supported the publication of test methods and data for thermal contact resistances and direction-dependent thermal conductivity within an electric motor. Active convective cooling focused on measuring convective heat-transfer coefficients using automatic transmission fluid (ATF). Data for average convective heat transfer coefficients for direct impingement of ATF jets was published. Also, experimental hardware for mapping local-scale and stator-scale convective heat transfer coefficients for ATF jet impingement were developed.« less

Two-Photon Laser-Induced Fluorescence O and N Atoms for the Study of Heterogeneous Catalysis in a Diffusion Reactor

NASA Technical Reports Server (NTRS)

Pallix, Joan B.; Copeland, Richard A.; Arnold, James O. (Technical Monitor)

1995-01-01

Advanced laser-based diagnostics have been developed to examine catalytic effects and atom/surface interactions on thermal protection materials. This study establishes the feasibility of using laser-induced fluorescence for detection of O and N atom loss in a diffusion tube to measure surface catalytic activity. The experimental apparatus is versatile in that it allows fluorescence detection to be used for measuring species selective recombination coefficients as well as diffusion tube and microwave discharge diagnostics. Many of the potential sources of error in measuring atom recombination coefficients by this method have been identified and taken into account. These include scattered light, detector saturation, sample surface cleanliness, reactor design, gas pressure and composition, and selectivity of the laser probe. Recombination coefficients and their associated errors are reported for N and O atoms on a quartz surface at room temperature.

Lateral diffusion of proteins in the periplasm of Escherichia coli.

PubMed Central

Brass, J M; Higgins, C F; Foley, M; Rugman, P A; Birmingham, J; Garland, P B

1986-01-01

We have introduced biologically active, fluorescently labeled maltose-binding protein into the periplasmic space of Escherichia coli and measured its lateral diffusion coefficient by the fluorescence photobleaching recovery method. Diffusion of this protein in the periplasm was found to be surprisingly low (lateral diffusion coefficient, 0.9 X 10(-10) cm2 s-1), about 1,000-fold lower than would be expected for diffusion in aqueous medium and almost 100-fold lower than for an equivalent-size protein in the cytoplasm. Galactose-binding protein, myoglobin, and cytochrome c were also introduced into the periplasm and had diffusion coefficients identical to that determined for the maltose-binding protein. For all proteins nearly 100% recovery of fluorescence was obtained after photobleaching, indicating that the periplasm is a single contiguous compartment surrounding the cell. These data have considerable implications for periplasmic structure and for the role of periplasmic proteins in transport and chemotaxis. Images PMID:3005237

Fully automated contour detection of the ascending aorta in cardiac 2D phase-contrast MRI.

PubMed

Codari, Marina; Scarabello, Marco; Secchi, Francesco; Sforza, Chiarella; Baselli, Giuseppe; Sardanelli, Francesco

2018-04-01

In this study we proposed a fully automated method for localizing and segmenting the ascending aortic lumen with phase-contrast magnetic resonance imaging (PC-MRI). Twenty-five phase-contrast series were randomly selected out of a large population dataset of patients whose cardiac MRI examination, performed from September 2008 to October 2013, was unremarkable. The local Ethical Committee approved this retrospective study. The ascending aorta was automatically identified on each phase of the cardiac cycle using a priori knowledge of aortic geometry. The frame that maximized the area, eccentricity, and solidity parameters was chosen for unsupervised initialization. Aortic segmentation was performed on each frame using active contouring without edges techniques. The entire algorithm was developed using Matlab R2016b. To validate the proposed method, the manual segmentation performed by a highly experienced operator was used. Dice similarity coefficient, Bland-Altman analysis, and Pearson's correlation coefficient were used as performance metrics. Comparing automated and manual segmentation of the aortic lumen on 714 images, Bland-Altman analysis showed a bias of -6.68mm 2 , a coefficient of repeatability of 91.22mm 2 , a mean area measurement of 581.40mm 2 , and a reproducibility of 85%. Automated and manual segmentation were highly correlated (R=0.98). The Dice similarity coefficient versus the manual reference standard was 94.6±2.1% (mean±standard deviation). A fully automated and robust method for identification and segmentation of ascending aorta on PC-MRI was developed. Its application on patients with a variety of pathologic conditions is advisable. Copyright © 2017 Elsevier Inc. All rights reserved.

The thermoelectric properties of bulk crystalline n- and p-type Mg2Si prepared by the vertical Bridgman method

NASA Astrophysics Data System (ADS)

Akasaka, Masayasu; Iida, Tsutomu; Matsumoto, Atsunobu; Yamanaka, Kohei; Takanashi, Yoshifumi; Imai, Tomohiro; Hamada, Noriaki

2008-07-01

Bulk Mg2Si crystals were grown using the vertical Bridgman melt growth method. The n-type and p-type dopants, bismuth (Bi) and silver (Ag), respectively, were incorporated during the growth. X-ray powder diffraction analysis revealed clear peaks of Mg2Si with no peaks associated with the metallic Mg and Si phases. Residual impurities and process induced contaminants were investigated by using glow discharge mass spectrometry (GDMS). A comparison between the results of GDMS and Hall effect measurements indicated that electrical activation of the Bi doping in the Mg2Si was sufficient, while activation of the Ag doping was relatively smaller. It was shown that an undoped n-type specimen contained a certain amount of aluminum (Al), which was due either to residual impurities in the Mg source or the incorporation of process-induced impurities. Thermoelectric properties such as the Seebeck coefficient and the electrical and thermal conductivities were measured as a function of temperature up to 850 K. The dimensionless figures of merit for Bi-doped and Ag-doped samples were 0.65 at 840 K and 0.1 at 566 K, respectively. Temperature dependence of the observed Seebeck coefficient was fitted well by the two-carrier model. The first-principles calculations were carried out by using the all-electron band-structure calculation package (ABCAP) in which the full-potential linearized augmented-plane-wave method was employed. The ABCAP calculation adequately presents characteristics of the Seebeck coefficients for the undoped and heavily Bi-doped samples over the whole measured temperature range from room temperature to 850 K. The agreement between the theory and the experiment is poorer for the Ag-doped p-type samples.

Aerosol hygroscopic growth parameterization based on a solute specific coefficient

NASA Astrophysics Data System (ADS)

Metzger, S.; Steil, B.; Xu, L.; Penner, J. E.; Lelieveld, J.

2011-09-01

Water is a main component of atmospheric aerosols and its amount depends on the particle chemical composition. We introduce a new parameterization for the aerosol hygroscopic growth factor (HGF), based on an empirical relation between water activity (aw) and solute molality (μs) through a single solute specific coefficient νi. Three main advantages are: (1) wide applicability, (2) simplicity and (3) analytical nature. (1) Our approach considers the Kelvin effect and covers ideal solutions at large relative humidity (RH), including CCN activation, as well as concentrated solutions with high ionic strength at low RH such as the relative humidity of deliquescence (RHD). (2) A single νi coefficient suffices to parameterize the HGF for a wide range of particle sizes, from nanometer nucleation mode to micrometer coarse mode particles. (3) In contrast to previous methods, our analytical aw parameterization depends not only on a linear correction factor for the solute molality, instead νi also appears in the exponent in form x · ax. According to our findings, νi can be assumed constant for the entire aw range (0-1). Thus, the νi based method is computationally efficient. In this work we focus on single solute solutions, where νi is pre-determined with the bisection method from our analytical equations using RHD measurements and the saturation molality μssat. The computed aerosol HGF and supersaturation (Köhler-theory) compare well with the results of the thermodynamic reference model E-AIM for the key compounds NaCl and (NH4)2SO4 relevant for CCN modeling and calibration studies. The equations introduced here provide the basis of our revised gas-liquid-solid partitioning model, i.e. version 4 of the EQuilibrium Simplified Aerosol Model (EQSAM4), described in a companion paper.

Structure-activity relationships to estimate the effective Henry's law coefficients of organics of atmospheric interest

NASA Astrophysics Data System (ADS)

Raventos-Duran, Teresa; Valorso, Richard; Aumont, Bernard; Camredon, Marie

2010-05-01

The oxidation of volatile organic compounds emitted in the atmosphere involves complex reaction mechanisms which leads to the formation of oxygenated organic intermediates, usually denoted as secondary organics. The fate of these secondary organics remains poorly quantified due to a lack of information about their speciation, distribution and evolution in the gas and condensed phases. A significant fraction of secondary organics may dissolve into the tropospheric aqueous phase owing to the presence of polar moieties generated during the oxidation processes. The partitioning of organics between the gas and the aqueous atmospheric phases is usually described in the basis of Henry's law. Atmospheric models require a knowledge of the Henry's law coefficient (H) for every water soluble organic species described in the chemical mechanism. Methods that can predict reliable H values for the vast number of organic compounds are therefore required. We have compiled a data set of experimental Henry's law constants for compounds bearing functional groups of atmospheric relevance. This data set was then used to develop GROMHE, a structure activity relationship to predict H values based on a group contribution approach. We assessed its performance with two other available estimation methods. The results show that for all these methods the reliability of the estimates decreases with increasing solubility. We discuss differences between methods and found that GROMHE had greater prediction ability.

Adaption of the temporal correlation coefficient calculation for temporal networks (applied to a real-world pig trade network).

PubMed

Büttner, Kathrin; Salau, Jennifer; Krieter, Joachim

2016-01-01

The average topological overlap of two graphs of two consecutive time steps measures the amount of changes in the edge configuration between the two snapshots. This value has to be zero if the edge configuration changes completely and one if the two consecutive graphs are identical. Current methods depend on the number of nodes in the network or on the maximal number of connected nodes in the consecutive time steps. In the first case, this methodology breaks down if there are nodes with no edges. In the second case, it fails if the maximal number of active nodes is larger than the maximal number of connected nodes. In the following, an adaption of the calculation of the temporal correlation coefficient and of the topological overlap of the graph between two consecutive time steps is presented, which shows the expected behaviour mentioned above. The newly proposed adaption uses the maximal number of active nodes, i.e. the number of nodes with at least one edge, for the calculation of the topological overlap. The three methods were compared with the help of vivid example networks to reveal the differences between the proposed notations. Furthermore, these three calculation methods were applied to a real-world network of animal movements in order to detect influences of the network structure on the outcome of the different methods.

Adaptive compressed sensing of remote-sensing imaging based on the sparsity prediction

NASA Astrophysics Data System (ADS)

Yang, Senlin; Li, Xilong; Chong, Xin

2017-10-01

The conventional compressive sensing works based on the non-adaptive linear projections, and the parameter of its measurement times is usually set empirically. As a result, the quality of image reconstruction is always affected. Firstly, the block-based compressed sensing (BCS) with conventional selection for compressive measurements was given. Then an estimation method for the sparsity of image was proposed based on the two dimensional discrete cosine transform (2D DCT). With an energy threshold given beforehand, the DCT coefficients were processed with both energy normalization and sorting in descending order, and the sparsity of the image can be achieved by the proportion of dominant coefficients. And finally, the simulation result shows that, the method can estimate the sparsity of image effectively, and provides an active basis for the selection of compressive observation times. The result also shows that, since the selection of observation times is based on the sparse degree estimated with the energy threshold provided, the proposed method can ensure the quality of image reconstruction.

Adaptive compressed sensing of multi-view videos based on the sparsity estimation

NASA Astrophysics Data System (ADS)

Yang, Senlin; Li, Xilong; Chong, Xin

2017-11-01

The conventional compressive sensing for videos based on the non-adaptive linear projections, and the measurement times is usually set empirically. As a result, the quality of videos reconstruction is always affected. Firstly, the block-based compressed sensing (BCS) with conventional selection for compressive measurements was described. Then an estimation method for the sparsity of multi-view videos was proposed based on the two dimensional discrete wavelet transform (2D DWT). With an energy threshold given beforehand, the DWT coefficients were processed with both energy normalization and sorting by descending order, and the sparsity of the multi-view video can be achieved by the proportion of dominant coefficients. And finally, the simulation result shows that, the method can estimate the sparsity of video frame effectively, and provides an active basis for the selection of compressive observation times. The result also shows that, since the selection of observation times is based on the sparsity estimated with the energy threshold provided, the proposed method can ensure the reconstruction quality of multi-view videos.

Efficacy of a Community-Based Technology-Enabled Physical Activity Counseling Program for People With Knee Osteoarthritis: Proof-of-Concept Study

PubMed Central

Sayre, Eric C; Xie, Hui; Falck, Ryan S; Best, John R; Liu-Ambrose, Teresa; Grewal, Navi; Hoens, Alison M; Noonan, Greg; Feehan, Lynne M

2018-01-01

Background Current practice guidelines emphasize the use of physical activity as the first-line treatment of knee osteoarthritis; however, up to 90% of people with osteoarthritis are inactive. Objective We aimed to assess the efficacy of a technology-enabled counseling intervention for improving physical activity in people with either a physician-confirmed diagnosis of knee osteoarthritis or having passed two validated criteria for early osteoarthritis. Methods We conducted a proof-of-concept randomized controlled trial. The immediate group received a brief education session by a physical therapist, a Fitbit Flex, and four biweekly phone calls for activity counseling. The delayed group received the same intervention 2 months later. Participants were assessed at baseline (T0) and at the end of 2 months (T1), 4 months (T2), and 6 months (T3). Outcomes included (1) mean time on moderate-to-vigorous physical activity (MVPA ≥3 metabolic equivalents [METs], primary outcome), (2) mean time on MVPA ≥4 METs, (3) mean daily steps, (4) mean time on sedentary activities, (5) Knee Injury and Osteoarthritis Outcome Score (KOOS), and (6) Partners in Health scale. Mixed-effects repeated measures analysis of variance was used to assess five planned contrasts of changes in outcome measures over measurement periods. The five contrasts were (1) immediate T1-T0 vs delayed T1-T0, (2) delayed T2-T1 vs delayed T1-T0, (3) mean of contrast 1 and contrast 2, (4) immediate T1-T0 vs delayed T2-T1, and (5) mean of immediate T2-T1 and delayed T3-T2. The first three contrasts estimate the between-group effects. The latter two contrasts estimate the effect of the 2-month intervention delay on outcomes. Results We recruited 61 participants (immediate: n=30; delayed: n=31). Both groups were similar in age (immediate: mean 61.3, SD 9.4 years; delayed: mean 62.1, SD 8.5 years) and body mass index (immediate: mean 29.2, SD 5.5 kg/m2; delayed: mean 29.2, SD 4.8 kg/m2). Contrast analyses revealed significant between-group effects in MVPA ≥3 METs (contrast 1 coefficient: 26.6, 95% CI 4.0-49.1, P=.02; contrast 3 coefficient: 26.0, 95% CI 3.1-49.0, P=.03), daily steps (contrast 1 coefficient: 1699.2, 95% CI 349.0-3049.4, P=.02; contrast 2 coefficient: 1601.8, 95% CI 38.7-3164.9, P=.045; contrast 3 coefficient: 1650.5, 95% CI 332.3-2968.7; P=.02), KOOS activity of daily living subscale (contrast 1 coefficient: 6.9, 95% CI 0.1-13.7, P=.047; contrast 3 coefficient: 7.2, 95% CI 0.8-13.6, P=.03), and KOOS quality of life subscale (contrast 1 coefficient: 7.4, 95% CI 0.0-14.7, P=.049; contrast 3 coefficient: 7.3, 95% CI 0.1-14.6, P=.048). We found no significant effect in any outcome measures due to the 2-month delay of the intervention. Conclusions Our counseling program improved MVPA ≥3 METs, daily steps, activity of daily living, and quality of life in people with knee osteoarthritis. These findings are important because an active lifestyle is an important component of successful self-management. Trial Registration ClinicalTrials.gov NCT02315664; https://clinicaltrials.gov/ct2/show/NCT02315664 (Archived by WebCite at http://www.webcitation.org/6ynSgUyUC) PMID:29712630

Uncertainties in Cancer Risk Coefficients for Environmental Exposure to Radionuclides: An Uncertainty Analysis for Risk Coefficients Reported in Federal Guidance Report No. 13

EPA Pesticide Factsheets

Federal Guidance Report No.13 (FGR 13) provides cancer risk coefficients for modes of environmental exposure to each of more than 800 radionuclides (EPA 1999), including inhalation of airborne activity and ingestion of activity in food or drinking water.

Procrustes Matching by Congruence Coefficients

ERIC Educational Resources Information Center

Korth, Bruce; Tucker, L. R.

1976-01-01

Matching by Procrustes methods involves the transformation of one matrix to match with another. A special least squares criterion, the congruence coefficient, has advantages as a criterion for some factor analytic interpretations. A Procrustes method maximizing the congruence coefficient is given. (Author/JKS)

An initial investigation into methods of computing transonic aerodynamic sensitivity coefficients

NASA Technical Reports Server (NTRS)

Carlson, Leland A.

1992-01-01

Research conducted during the period from July 1991 through December 1992 is covered. A method based upon the quasi-analytical approach was developed for computing the aerodynamic sensitivity coefficients of three dimensional wings in transonic and subsonic flow. In addition, the method computes for comparison purposes the aerodynamic sensitivity coefficients using the finite difference approach. The accuracy and validity of the methods are currently under investigation.

Lipophilicity, antifungal and antioxidant properties of persilben.

PubMed

Smolarz, Helena D; Kosikowska, Urszula; Baraniak, Barbara; Malm, Anna; Persona, Andrzej

2005-01-01

The lipophilicity of persilben, an important parameter influencing the penetration of the compound through biological membranes, was determined experimentally by dynamic method and was theoretically calculated according to the fragmentation methods introduced by Crippen, Broto and Viswanadhan. The higher value of partition coefficient (log P = 3.89) obtained for persilben than that for resveratrol points to potentially higher ease of penetration of persilben into cells of living organism. Antimicrobial and antioxidant activities of persilben were tested. The obtained data suggest that this compound possesses some antioxidant activity. Persilben appears to have also some inhibitory effect against some species of dermatophytes from Tnichophyton genus but only at high concentrations.

Quantitative monitoring of an activated sludge reactor using on-line UV-visible and near-infrared spectroscopy.

PubMed

Sarraguça, Mafalda C; Paulo, Ana; Alves, Madalena M; Dias, Ana M A; Lopes, João A; Ferreira, Eugénio C

2009-10-01

The performance of an activated sludge reactor can be significantly enhanced through use of continuous and real-time process-state monitoring, which avoids the need to sample for off-line analysis and to use chemicals. Despite the complexity associated with wastewater treatment systems, spectroscopic methods coupled with chemometric tools have been shown to be powerful tools for bioprocess monitoring and control. Once implemented and optimized, these methods are fast, nondestructive, user friendly, and most importantly, they can be implemented in situ, permitting rapid inference of the process state at any moment. In this work, UV-visible and NIR spectroscopy were used to monitor an activated sludge reactor using in situ immersion probes connected to the respective analyzers by optical fibers. During the monitoring period, disturbances to the biological system were induced to test the ability of each spectroscopic method to detect the changes in the system. Calibration models based on partial least squares (PLS) regression were developed for three key process parameters, namely chemical oxygen demand (COD), nitrate concentration (N-NO(3)(-)), and total suspended solids (TSS). For NIR, the best results were achieved for TSS, with a relative error of 14.1% and a correlation coefficient of 0.91. The UV-visible technique gave similar results for the three parameters: an error of approximately 25% and correlation coefficients of approximately 0.82 for COD and TSS and 0.87 for N-NO(3)(-) . The results obtained demonstrate that both techniques are suitable for consideration as alternative methods for monitoring and controlling wastewater treatment processes, presenting clear advantages when compared with the reference methods for wastewater treatment process qualification.

Space-dependent perfusion coefficient estimation in a 2D bioheat transfer problem

NASA Astrophysics Data System (ADS)

Bazán, Fermín S. V.; Bedin, Luciano; Borges, Leonardo S.

2017-05-01

In this work, a method for estimating the space-dependent perfusion coefficient parameter in a 2D bioheat transfer model is presented. In the method, the bioheat transfer model is transformed into a time-dependent semidiscrete system of ordinary differential equations involving perfusion coefficient values as parameters, and the estimation problem is solved through a nonlinear least squares technique. In particular, the bioheat problem is solved by the method of lines based on a highly accurate pseudospectral approach, and perfusion coefficient values are estimated by the regularized Gauss-Newton method coupled with a proper regularization parameter. The performance of the method on several test problems is illustrated numerically.

Trunk muscle activation during golf swing: Baseline and threshold.

PubMed

Silva, Luís; Marta, Sérgio; Vaz, João; Fernandes, Orlando; Castro, Maria António; Pezarat-Correia, Pedro

2013-10-01

There is a lack of studies regarding EMG temporal analysis during dynamic and complex motor tasks, such as golf swing. The aim of this study is to analyze the EMG onset during the golf swing, by comparing two different threshold methods. Method A threshold was determined using the baseline activity recorded between two maximum voluntary contraction (MVC). Method B threshold was calculated using the mean EMG activity for 1000ms before the 500ms prior to the start of the Backswing. Two different clubs were also studied. Three-way repeated measures ANOVA was used to compare methods, muscles and clubs. Two-way mixed Intraclass Correlation Coefficient (ICC) with absolute agreement was used to determine the methods reliability. Club type usage showed no influence in onset detection. Rectus abdominis (RA) showed the higher agreement between methods. Erector spinae (ES), on the other hand, showed a very low agreement, that might be related to postural activity before the swing. External oblique (EO) is the first being activated, at 1295ms prior impact. There is a similar activation time between right and left muscles sides, although the right EO showed better agreement between methods than left side. Therefore, the algorithms usage is task- and muscle-dependent. Copyright © 2013 Elsevier Ltd. All rights reserved.

Simulation of adsorbed hydrogen on tungsten surface

NASA Astrophysics Data System (ADS)

Degtyarenko, N. N.; Pisarev, A. A.

2017-12-01

Calculations of the energy of the H-W system were performed using DFT method based on plane waves. Adsorption energies, equilibrium states, vibration spectra, saddle points, activation energies of jumps, and diffusion paths have been analyzed for H atom on W(100) and W(110). Diffusion coefficient for H on W(110) agrees very well with experimental data.

Friction-Testing Machine

NASA Technical Reports Server (NTRS)

Benz, F. J.; Dixon, D. S.; Shaw, R. C.

1986-01-01

Testing machine evaluates wear and ignition characteristics of materials in rubbing contact. Offers advantages over other laboratory methods of measuring wear because it simulates operating conditions under which material will actually be used. Machine used to determine wear characteristics, rank and select materials for service with such active oxidizers as oxygen, halogens, and oxides of nitrogen, measure wear characteristics, and determine coefficients of friction.

A Simple Method to Calculate the Temperature Dependence of the Gibbs Energy and Chemical Equilibrium Constants

ERIC Educational Resources Information Center

Vargas, Francisco M.

2014-01-01

The temperature dependence of the Gibbs energy and important quantities such as Henry's law constants, activity coefficients, and chemical equilibrium constants is usually calculated by using the Gibbs-Helmholtz equation. Although, this is a well-known approach and traditionally covered as part of any physical chemistry course, the required…

The Hildebrand Solubility Parameters of Ionic Liquids—Part 2

PubMed Central

Marciniak, Andrzej

2011-01-01

The Hildebrand solubility parameters have been calculated for eight ionic liquids. Retention data from the inverse gas chromatography measurements of the activity coefficients at infinite dilution were used for the calculation. From the solubility parameters, the enthalpies of vaporization of ionic liquids were estimated. Results are compared with solubility parameters estimated by different methods. PMID:21747694

Combined molecular modelling and 3D-QSAR study for understanding the inhibition of NQO1 by heterocyclic quinone derivatives.

PubMed

López-Lira, Claudia; Alzate-Morales, Jans H; Paulino, Margot; Mella-Raipán, Jaime; Salas, Cristian O; Tapia, Ricardo A; Soto-Delgado, Jorge

2018-01-01

A combination of three-dimensional quantitative structure-activity relationship (3D-QSAR), and molecular modelling methods were used to understand the potent inhibitory NAD(P)H:quinone oxidoreductase 1 (NQO1) activity of a set of 52 heterocyclic quinones. Molecular docking results indicated that some favourable interactions of key amino acid residues at the binding site of NQO1 with these quinones would be responsible for an improvement of the NQO1 activity of these compounds. The main interactions involved are hydrogen bond of the amino group of residue Tyr128, π-stacking interactions with Phe106 and Phe178, and electrostatic interactions with flavin adenine dinucleotide (FADH) cofactor. Three models were prepared by 3D-QSAR analysis. The models derived from Model I and Model III, shown leave-one-out cross-validation correlation coefficients (q 2 LOO ) of .75 and .73 as well as conventional correlation coefficients (R 2 ) of .93 and .95, respectively. In addition, the external predictive abilities of these models were evaluated using a test set, producing the predicted correlation coefficients (r 2 pred ) of .76 and .74, respectively. The good concordance between the docking results and 3D-QSAR contour maps provides helpful information about a rational modification of new molecules based in quinone scaffold, in order to design more potent NQO1 inhibitors, which would exhibit highly potent antitumor activity. © 2017 John Wiley & Sons A/S.

Measurements of the Activation Energies for Atomic Hydrogen Diffusion on Pure Solid CO

NASA Astrophysics Data System (ADS)

Kimura, Y.; Tsuge, M.; Pirronello, V.; Kouchi, A.; Watanabe, N.

2018-05-01

The diffusion of hydrogen atoms on dust grains is a key process in the formation of interstellar H2 and some hydrogenated molecules such as formaldehyde and methanol. We investigate the adsorption and diffusion of H atoms on pure solid CO as an analog of dust surfaces observed toward some cold interstellar regions. Using a combination of photostimulated desorption and resonance-enhanced multiphoton ionization methods to detect H atoms directly, the relative adsorption probabilities and diffusion coefficients of the H atoms are measured on pure solid CO at 8, 12, and 15 K. There is little difference between the diffusion coefficients of the hydrogen and deuterium atoms, indicating that the diffusion is limited by thermal hopping. The activation energies controlling the H-atom diffusion depend on the surface temperature, and values of 22, 30, and ∼37 meV were obtained for 8, 12, and 15 K, respectively.

PHYSICAL EFFECTS OCCURRING DURING GENERATION AND AMPLIFICATION OF LASER RADIATION: Ultimate values of the gain of solid-state rod amplifiers operating under inversion storage conditions

NASA Astrophysics Data System (ADS)

Bayanov, V. I.; Vinokurov, G. N.; Zhulin, V. I.; Yashin, V. E.

1989-02-01

A numerical calculation is reported of an inversion conservation coefficient of cylindrical rod solid-state amplifiers with the active element diameter from 1.5 to 15 cm operated under continuous pumping conditions. It is shown that the ultimate gain, limited only by superluminescence, exceeds considerably the value usually obtained in experiments. Various methods of eliminating parasitic effects, which limit the gain of real amplifiers, are considered. The degree of influence of these effects on the inversion conservation coefficient is discussed. The results are given of an experimental determination of the gain close to the ultimate value (0.18 cm- 1 for an active element 3 cm in diameter). Calculations are reported of the angular distributions of superluminescence and parasitic modes demonstrating that the latter can be suppressed by spatial filtering.

Upgrading CCIR's fo F 2 maps using available ionosondes and genetic algorithms

NASA Astrophysics Data System (ADS)

Gularte, Erika; Carpintero, Daniel D.; Jaen, Juliana

2018-04-01

We have developed a new approach towards a new database of the ionospheric parameter fo F 2 . This parameter, being the frequency of the maximum of the ionospheric electronic density profile and its main modeller, is of great interest not only in atmospheric studies but also in the realm of radio propagation. The current databases, generated by CCIR (Committee Consultative for Ionospheric Radiowave propagation) and URSI (International Union of Radio Science), and used by the IRI (International Reference Ionosphere) model, are based on Fourier expansions and have been built in the 60s from the available ionosondes at that time. The main goal of this work is to upgrade the databases by using new available ionosonde data. To this end we used the IRI diurnal/spherical expansions to represent the fo F 2 variability, and computed its coefficients by means of a genetic algorithm (GA). In order to test the performance of the proposed methodology, we applied it to the South American region with data obtained by RAPEAS (Red Argentina para el Estudio de la Atmósfera Superior, i.e. Argentine Network for the Study of the Upper Atmosphere) during the years 1958-2009. The new GA coefficients provide a global better fit of the IRI model to the observed fo F 2 than the CCIR coefficients. Since the same formulae and the same number of coefficients were used, the overall integrity of IRI's typical ionospheric feature representation was preserved. The best improvements with respect to CCIR are obtained at low solar activities, at large (in absolute value) modip latitudes, and at night-time. The new method is flexible in the sense that can be applied either globally or regionally. It is also very easy to recompute the coefficients when new data is available. The computation of a third set of coefficients corresponding to days of medium solar activity in order to avoid the interpolation between low and high activities is suggested. The same procedure as for fo F 2 can be perfomed to obtain the ionospheric parameter M(3000)F2.

An operational method for the real-time monitoring of E. coli numbers in bathing waters.

PubMed

Lebaron, Philippe; Henry, A; Lepeuple, A-S; Pena, G; Servais, P

2005-06-01

The aim of this study was to investigate the potential application of the beta-d-glucuronidase (GLUase) activity measurement for the routine detection and quantification of E. coli in marine bathing waters. GLUase activity was measured as the rate of hydrolysis of 4-methylumbelliferyl-beta-d-glucuronide. Culturable E. coli were quantified by the most probable number (MPN) microplate method. Both methods were applied to a large set of seawater samples. Significant correlation was found between the log of GLUase activity and the log of culturable E. coli. The mean coefficient of variation (CV) of the GLUase activity was less than 15% at concentrations around the current standards of International regulations whereas the CV of the microplate method was around 30%. When samples were stored at 4 degrees C and 20 degrees C, the mean CV of the GLUase activity remained below 15% up to 6 hours after sample collection whereas the range of variation of the microplate method varied between 10 and 50%. We concluded that the GLUase activity is an operational, reproducible, simple, very rapid and low cost method for the real-time enumeration of E. coli in bathing waters and should be preferred to the microplate method. The GLUase activity method should be routinely applied to the rapid enumeration of E. coli in recreational waters and recommendations for its application were suggested to water quality managers.

Measuring dynamic oil film coefficients of sliding bearing

NASA Technical Reports Server (NTRS)

Feng, G.; Tang, X.

1985-01-01

A method is presented for determining the dynamic coefficients of bearing oil film. By varying the support stiffness and damping, eight dynamic coefficients of the bearing were determined. Simple and easy to apply, the method can be used in solving practical machine problems.

Mean ionic activity coefficients in aqueous NaCl solutions from molecular dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mester, Zoltan; Panagiotopoulos, Athanassios Z., E-mail: azp@princeton.edu

The mean ionic activity coefficients of aqueous NaCl solutions of varying concentrations at 298.15 K and 1 bar have been obtained from molecular dynamics simulations by gradually turning on the interactions of an ion pair inserted into the solution. Several common non-polarizable water and ion models have been used in the simulations. Gibbs-Duhem equation calculations of the thermodynamic activity of water are used to confirm the thermodynamic consistency of the mean ionic activity coefficients. While the majority of model combinations predict the correct trends in mean ionic activity coefficients, they overestimate their values at high salt concentrations. The solubility predictionsmore » also suffer from inaccuracies, with all models underpredicting the experimental values, some by large factors. These results point to the need for further ion and water model development.« less

Survey and analysis of multiresolution methods for turbulence data

DOE PAGES

Pulido, Jesus; Livescu, Daniel; Woodring, Jonathan; ...

2015-11-10

This paper compares the effectiveness of various multi-resolution geometric representation methods, such as B-spline, Daubechies, Coiflet and Dual-tree wavelets, curvelets and surfacelets, to capture the structure of fully developed turbulence using a truncated set of coefficients. The turbulence dataset is obtained from a Direct Numerical Simulation of buoyancy driven turbulence on a 512 3 mesh size, with an Atwood number, A = 0.05, and turbulent Reynolds number, Re t = 1800, and the methods are tested against quantities pertaining to both velocities and active scalar (density) fields and their derivatives, spectra, and the properties of constant density surfaces. The comparisonsmore » between the algorithms are given in terms of performance, accuracy, and compression properties. The results should provide useful information for multi-resolution analysis of turbulence, coherent feature extraction, compression for large datasets handling, as well as simulations algorithms based on multi-resolution methods. In conclusion, the final section provides recommendations for best decomposition algorithms based on several metrics related to computational efficiency and preservation of turbulence properties using a reduced set of coefficients.« less

Listening to light scattering in turbid media: quantitative optical scattering imaging using photoacoustic measurements with one-wavelength illumination

NASA Astrophysics Data System (ADS)

Yuan, Zhen; Li, Xiaoqi; Xi, Lei

2014-06-01

Biomedical photoacoustic tomography (PAT), as a potential imaging modality, can visualize tissue structure and function with high spatial resolution and excellent optical contrast. It is widely recognized that the ability of quantitatively imaging optical absorption and scattering coefficients from photoacoustic measurements is essential before PAT can become a powerful imaging modality. Existing quantitative PAT (qPAT), while successful, has been focused on recovering absorption coefficient only by assuming scattering coefficient a constant. An effective method for photoacoustically recovering optical scattering coefficient is presently not available. Here we propose and experimentally validate such a method for quantitative scattering coefficient imaging using photoacoustic data from one-wavelength illumination. The reconstruction method developed combines conventional PAT with the photon diffusion equation in a novel way to realize the recovery of scattering coefficient. We demonstrate the method using various objects having scattering contrast only or both absorption and scattering contrasts embedded in turbid media. The listening-to-light-scattering method described will be able to provide high resolution scattering imaging for various biomedical applications ranging from breast to brain imaging.

A fluid-solid coupling simulation method for convection heat transfer coefficient considering the under-vehicle condition

NASA Astrophysics Data System (ADS)

Tian, C.; Weng, J.; Liu, Y.

2017-11-01

The convection heat transfer coefficient is one of the evaluation indexes of the brake disc performance. The method used in this paper to calculate the convection heat transfer coefficient is a fluid-solid coupling simulation method, because the calculation results through the empirical formula method have great differences. The model, including a brake disc, a car body, a bogie and flow field, was built, meshed and simulated in the software FLUENT. The calculation models were K-epsilon Standard model and Energy model. The working condition of the brake disc was considered. The coefficient of various parts can be obtained through the method in this paper. The simulation result shows that, under 160 km/h speed, the radiating ribs have the maximum convection heat transfer coefficient and the value is 129.6W/(m2·K), the average coefficient of the whole disc is 100.4W/(m2·K), the windward of ribs is positive-pressure area and the leeward of ribs is negative-pressure area, the maximum pressure is 2663.53Pa.

Transport Coefficients from Large Deviation Functions

NASA Astrophysics Data System (ADS)

Gao, Chloe; Limmer, David

2017-10-01

We describe a method for computing transport coefficients from the direct evaluation of large deviation function. This method is general, relying on only equilibrium fluctuations, and is statistically efficient, employing trajectory based importance sampling. Equilibrium fluctuations of molecular currents are characterized by their large deviation functions, which is a scaled cumulant generating function analogous to the free energy. A diffusion Monte Carlo algorithm is used to evaluate the large deviation functions, from which arbitrary transport coefficients are derivable. We find significant statistical improvement over traditional Green-Kubo based calculations. The systematic and statistical errors of this method are analyzed in the context of specific transport coefficient calculations, including the shear viscosity, interfacial friction coefficient, and thermal conductivity.

Prediction of distribution coefficient from structure. 1. Estimation method.

PubMed

Csizmadia, F; Tsantili-Kakoulidou, A; Panderi, I; Darvas, F

1997-07-01

A method has been developed for the estimation of the distribution coefficient (D), which considers the microspecies of a compound. D is calculated from the microscopic dissociation constants (microconstants), the partition coefficients of the microspecies, and the counterion concentration. A general equation for the calculation of D at a given pH is presented. The microconstants are calculated from the structure using Hammett and Taft equations. The partition coefficients of the ionic microspecies are predicted by empirical equations using the dissociation constants and the partition coefficient of the uncharged species, which are estimated from the structure by a Linear Free Energy Relationship method. The algorithm is implemented in a program module called PrologD.

SU-D-201-05: Phantom Study to Determine Optimal PET Reconstruction Parameters for PET/MR Imaging of Y-90 Microspheres Following Radioembolization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maughan, N; Conti, M; Parikh, P

2015-06-15

Purpose: Imaging Y-90 microspheres with PET/MRI following hepatic radioembolization has the potential for predicting treatment outcome and, in turn, improving patient care. The positron decay branching ratio, however, is very small (32 ppm), yielding images with poor statistics even when therapy doses are used. Our purpose is to find PET reconstruction parameters that maximize the PET recovery coefficients and minimize noise. Methods: An initial 7.5 GBq of Y-90 chloride solution was used to fill an ACR phantom for measurements with a PET/MRI scanner (Siemens Biograph mMR). Four hot cylinders and a warm background activity volume of the phantom were filledmore » with a 10:1 ratio. Phantom attenuation maps were derived from scaled CT images of the phantom and included the MR phased array coil. The phantom was imaged at six time points between 7.5–1.0 GBq total activity over a period of eight days. PET images were reconstructed via OP-OSEM with 21 subsets and varying iteration number (1–5), post-reconstruction filter size (5–10 mm), and either absolute or relative scatter correction. Recovery coefficients, SNR, and noise were measured as well as total activity in the phantom. Results: For the 120 different reconstructions, recovery coefficients ranged from 0.1–0.6 and improved with increasing iteration number and reduced post-reconstruction filter size. SNR, however, improved substantially with lower iteration numbers and larger post-reconstruction filters. From the phantom data, we found that performing 2 iterations, 21 subsets, and applying a 5 mm Gaussian post-reconstruction filter provided optimal recovery coefficients at a moderate noise level for a wide range of activity levels. Conclusion: The choice of reconstruction parameters for Y-90 PET images greatly influences both the accuracy of measurements and image quality. We have found reconstruction parameters that provide optimal recovery coefficients with minimized noise. Future work will include the effects of the body matrix coil and off-center measurements.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Qingtao; Li, Liyu; Nie, Zimin

We will show a new method to differentiate the vanadium transport from concentration gradient and that from electric field. Flow batteries with vanadium and iron redox couples as the electro-active species were employed to investigate the transport behavior of vanadium ions in the presence of electric field. It was shown that electric field accelerated the positive-to-negative and reduced the negative-to-positive vanadium ions transport in charge process and affected the vanadium ions transport in an opposite way in discharge process. In addition, a method was designed to differentiate the concentration gradient-driven vanadium ions diffusion and electric field-driven vanadium ions migration. Simplifiedmore » mathematical model was established to simulate the vanadium ions transport in real charge-discharge operation of flow battery. The concentration gradient diffusion coefficients and electric-migration coefficients of V2+, V3+, VO2+, and VO2+ across Nafion membrane were obtained by fitting the experimental data.« less

Water-enhanced solvation of organics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Jane H.

1993-07-01

Water-enhanced solvation (WES) was explored for Lewis acid solutes in Lewis base organic solvents, to develop cheap extract regeneration processes. WES for solid solutes was determined from ratios of solubilities of solutes in water-sat. and low-water solvent; both were determined from solid-liquid equilibrium. Vapor-headspace analysis was used to determine solute activity coefficients as function of organic phase water concentration. WES magnitudes of volatile solutes were normalized, set equal to slope of log γ s vs x w/x s curve. From graph shape Δ(log γ s) represents relative change in solute activity coefficient. Solutes investigated by vapor-headspace analysis were acetic acid,more » propionic acid, ethanol, 1,2-propylene glycol, 2,3-butylene glycol. Monocarboxylic acids had largest decrease in activity coefficient with water addition followed by glycols and alcohols. Propionic acid in cyclohexanone showed greatest water-enhancement Δ(log γ acid)/Δ(x w/x acid) = -0.25. In methylcyclohexanone, the decrease of the activity coefficient of propionic acid was -0.19. Activity coefficient of propionic acid in methylcyclohexanone stopped decreasing once the water reached a 2:1 water to acid mole ratio, implying a stoichiometric relation between water, ketone, and acid. Except for 2,3-butanediol, activity coefficients of the solutes studied decreased monotonically with water content. Activity coefficient curves of ethanol, 1,2-propanediol and 2,3-butanediol did not level off at large water/solute mole ratio. Solutes investigated by solid-liquid equilibrium were citric acid, gallic acid, phenol, xylenols, 2-naphthol. Saturation concentration of citric acid in anhydrous butyl acetate increased from 0.0009 to 0.087 mol/L after 1.3 % (g/g) water co-dissolved into organic phase. Effect of water-enhanced solvation for citric acid is very large but very small for phenol and its derivatives.« less

A robust method of computing finite difference coefficients based on Vandermonde matrix

NASA Astrophysics Data System (ADS)

Zhang, Yijie; Gao, Jinghuai; Peng, Jigen; Han, Weimin

2018-05-01

When the finite difference (FD) method is employed to simulate the wave propagation, high-order FD method is preferred in order to achieve better accuracy. However, if the order of FD scheme is high enough, the coefficient matrix of the formula for calculating finite difference coefficients is close to be singular. In this case, when the FD coefficients are computed by matrix inverse operator of MATLAB, inaccuracy can be produced. In order to overcome this problem, we have suggested an algorithm based on Vandermonde matrix in this paper. After specified mathematical transformation, the coefficient matrix is transformed into a Vandermonde matrix. Then the FD coefficients of high-order FD method can be computed by the algorithm of Vandermonde matrix, which prevents the inverse of the singular matrix. The dispersion analysis and numerical results of a homogeneous elastic model and a geophysical model of oil and gas reservoir demonstrate that the algorithm based on Vandermonde matrix has better accuracy compared with matrix inverse operator of MATLAB.

Optical coefficient measurements using bulk living tissue by an optical fiber puncture with FOV change

NASA Astrophysics Data System (ADS)

Nakazawa, Haruna; Doi, Marika; Ogawa, Emiyu; Arai, Tsunenori

2018-02-01

To avoid an instability of the optical coefficient measurement using sliced tissue preparation, we proposed the combination of light intensity measurement through an optical fiber puncturing into a bulk tissue varying field of view (FOV) and ray tracing calculation using Monte-Carlo method. The optical coefficients of myocardium such as absorption coefficient μa, scattering coefficient μs, and anisotropic parameter g are used in the myocardium optical propagation. Since optical coefficients obtained using thin sliced tissue could be instable because they are affected by dehydration and intracellular fluid effusion on the sample surface, variety of coefficients have been reported over individual optical differences of living samples. The proposed method which combined the experiment using the bulk tissue with ray tracing calculation were performed. In this method, a 200 μmΦ high-NA silica fiber installed in a 21G needle was punctured up to the bottom of the myocardial bulk tissue over 3 cm in thickness to measure light intensity changing the fiber-tip depth and FOV. We found that the measured attenuation coefficients decreased as the FOV increased. The ray trace calculation represented the same FOV dependence in above mentioned experimental result. We think our particular fiber punctured measurement using bulk tissue varying FOV with Inverse Monte-Carlo method might be useful to obtain the optical coefficients to avoid sample preparation instabilities.

Solar cells based on particulate structure of active layer: Investigation of light absorption by an ordered system of spherical submicron silicon particles

NASA Astrophysics Data System (ADS)

Miskevich, Alexander A.; Loiko, Valery A.

2015-12-01

Enhancement of the performance of photovoltaic cells through increasing light absorption due to optimization of an active layer is considered. The optimization consists in creation of particulate structure of active layer. The ordered monolayers and multilayers of submicron crystalline silicon (c-Si) spherical particles are examined. The quasicrystalline approximation (QCA) and the transfer matrix method (TMM) are used to calculate light absorption in the wavelength range from 0.28 μm to 1.12 μm. The integrated over the terrestial solar spectral irradiance "Global tilt" ASTM G173-03 absorption coefficient is calculated. In the wavelength range of small absorption index of c-Si (0.8-1.12 μm) the integral absorption coefficient of monolayer can be more than 20 times higher than the one of the plane-parallel plate of the equivalent volume of material. In the overall considered range (0.28-1.12 μm) the enhancement factor up to ~1.45 for individual monolayer is observed. Maximum value of the spectral absorption coefficient approaches unity for multilayers consisting of large amount of sparse monolayers of small particles. Multilayers with variable concentration and size of particles in the monolayer sequences are considered. Absorption increasing by such gradient multilayers as compared to the non-gradient ones is illustrated. The considered structures are promising for creation of high efficiency thin-film solar cells.

Multi-Focus Image Fusion Based on NSCT and NSST

NASA Astrophysics Data System (ADS)

Moonon, Altan-Ulzii; Hu, Jianwen

2015-12-01

In this paper, a multi-focus image fusion algorithm based on the nonsubsampled contourlet transform (NSCT) and the nonsubsampled shearlet transform (NSST) is proposed. The source images are first decomposed by the NSCT and NSST into low frequency coefficients and high frequency coefficients. Then, the average method is used to fuse low frequency coefficient of the NSCT. To obtain more accurate salience measurement, the high frequency coefficients of the NSST and NSCT are combined to measure salience. The high frequency coefficients of the NSCT with larger salience are selected as fused high frequency coefficients. Finally, the fused image is reconstructed by the inverse NSCT. We adopt three metrics (Q AB/F , Q e and Q w ) to evaluate the quality of fused images. The experimental results demonstrate that the proposed method outperforms other methods. It retains highly detailed edges and contours.

A comparison of confidence interval methods for the intraclass correlation coefficient in community-based cluster randomization trials with a binary outcome.

PubMed

Braschel, Melissa C; Svec, Ivana; Darlington, Gerarda A; Donner, Allan

2016-04-01

Many investigators rely on previously published point estimates of the intraclass correlation coefficient rather than on their associated confidence intervals to determine the required size of a newly planned cluster randomized trial. Although confidence interval methods for the intraclass correlation coefficient that can be applied to community-based trials have been developed for a continuous outcome variable, fewer methods exist for a binary outcome variable. The aim of this study is to evaluate confidence interval methods for the intraclass correlation coefficient applied to binary outcomes in community intervention trials enrolling a small number of large clusters. Existing methods for confidence interval construction are examined and compared to a new ad hoc approach based on dividing clusters into a large number of smaller sub-clusters and subsequently applying existing methods to the resulting data. Monte Carlo simulation is used to assess the width and coverage of confidence intervals for the intraclass correlation coefficient based on Smith's large sample approximation of the standard error of the one-way analysis of variance estimator, an inverted modified Wald test for the Fleiss-Cuzick estimator, and intervals constructed using a bootstrap-t applied to a variance-stabilizing transformation of the intraclass correlation coefficient estimate. In addition, a new approach is applied in which clusters are randomly divided into a large number of smaller sub-clusters with the same methods applied to these data (with the exception of the bootstrap-t interval, which assumes large cluster sizes). These methods are also applied to a cluster randomized trial on adolescent tobacco use for illustration. When applied to a binary outcome variable in a small number of large clusters, existing confidence interval methods for the intraclass correlation coefficient provide poor coverage. However, confidence intervals constructed using the new approach combined with Smith's method provide nominal or close to nominal coverage when the intraclass correlation coefficient is small (<0.05), as is the case in most community intervention trials. This study concludes that when a binary outcome variable is measured in a small number of large clusters, confidence intervals for the intraclass correlation coefficient may be constructed by dividing existing clusters into sub-clusters (e.g. groups of 5) and using Smith's method. The resulting confidence intervals provide nominal or close to nominal coverage across a wide range of parameters when the intraclass correlation coefficient is small (<0.05). Application of this method should provide investigators with a better understanding of the uncertainty associated with a point estimator of the intraclass correlation coefficient used for determining the sample size needed for a newly designed community-based trial. © The Author(s) 2015.

Absolute Coefficients and the Graphical Representation of Airfoil Characteristics

NASA Technical Reports Server (NTRS)

Munk, Max

1921-01-01

It is argued that there should be an agreement as to what conventions to use in determining absolute coefficients used in aeronautics and in how to plot those coefficients. Of particular importance are the absolute coefficients of lift and drag. The author argues for the use of the German method over the kind in common use in the United States and England, and for the Continental over the usual American and British method of graphically representing the characteristics of an airfoil. The author notes that, on the whole, it appears that the use of natural absolute coefficients in a polar diagram is the logical method for presentation of airfoil characteristics, and that serious consideration should be given to the advisability of adopting this method in all countries, in order to advance uniformity and accuracy in the science of aeronautics.

Determination of optical absorption coefficient with focusing photoacoustic imaging.

PubMed

Li, Zhifang; Li, Hui; Zeng, Zhiping; Xie, Wenming; Chen, Wei R

2012-06-01

Absorption coefficient of biological tissue is an important factor for photothermal therapy and photoacoustic imaging. However, its determination remains a challenge. In this paper, we propose a method using focusing photoacoustic imaging technique to quantify the target optical absorption coefficient. It utilizes the ratio of the amplitude of the peak signal from the top boundary of the target to that from the bottom boundary based on wavelet transform. This method is self-calibrating. Factors, such as absolute optical fluence, ultrasound parameters, and Grüneisen parameter, can be canceled by dividing the amplitudes of the two peaks. To demonstrate this method, we quantified the optical absorption coefficient of a target with various concentrations of an absorbing dye. This method is particularly useful to provide accurate absorption coefficient for predicting the outcomes of photothermal interaction for cancer treatment with absorption enhancement.

Physical activity in climacteric women: comparison between self-reporting and pedometer.

PubMed

Colpani, Verônica; Spritzer, Poli Mara; Lodi, Ana Paula; Dorigo, Guilherme Gustavo; Miranda, Isabela Albuquerque Severo de; Hahn, Laiza Beck; Palludo, Luana Pedroso; Pietroski, Rafaela Lazzari; Oppermann, Karen

2014-04-01

To compare two methods of assessing physical activity in pre-, peri- and postmenopausal women. Cross-sectional study nested in a cohort of pre-, peri- and postmenopausal women in a city in Southern Brazil. The participants completed a questionnaire that included sociodemographic and clinical data. Physical activity was assessed using a digital pedometer and the International Physical Activity Questionnaire, short version. The participants were classified into strata of physical activity according to the instrument used. For statistical analysis, the Spearman correlation test, Kappa index, concordance coefficient and Bland-Altman plots were used. The concordance (k = 0110; p = 0.007) and the correlation (rho = 0.136, p = 0.02) between the International Physical Activity Questionnaire, short version, and pedometer were weak. In Bland-Altman plots, it was observed that differences deviate from zero value whether the physical activity is minimal or more intense. Comparing the two methods, the frequency of inactive women is higher when assessed by pedometer than by the International Physical Activity Questionnaire--short version, and the opposite occurs in active women. Agreement between the methods was weak. Although easy to use, Physical Activity Questionnaire--short version overestimates physical activity compared with assessment by pedometer.

Quantification of 11-Nor-9-Carboxy-Δ9-Tetrahydrocannabinol in Human Oral Fluid by Gas Chromatography–Tandem Mass Spectrometry

PubMed Central

Barnes, Allan J.; Scheidweiler, Karl B.; Huestis, Marilyn A.

2015-01-01

A sensitive and specific method for the quantification of 11-nor-9-carboxy-Δ9-tetrahydrocannabinol (THCCOOH) in oral fluid collected with the Quantisal and Oral-Eze devices was developed and fully validated. Extracted analytes were derivatized with hexafluoroisopropanol and trifluoroacetic anhydride and quantified by gas chromatography–tandem mass spectrometry with negative chemical ionization. Standard curves, using linear least-squares regression with 1/x2 weighting were linear from 10 to 1000 ng/L with coefficients of determination >0.998 for both collection devices. Bias was 89.2%–112.6%, total imprecision 4.0%–5.1% coefficient of variation, and extraction efficiency >79.8% across the linear range for Quantisal-collected specimens. Bias was 84.6%–109.3%, total imprecision 3.6%–7.3% coefficient of variation, and extraction efficiency >92.6% for specimens collected with the Oral-Eze device at all 3 quality control concentrations (10, 120, and 750 ng/L). This effective high-throughput method reduces analysis time by 9 minutes per sample compared with our current 2-dimensional gas chromatography–mass spectrometry method and extends the capability of quantifying this important oral fluid analyte to gas chromatography–tandem mass spectrometry. This method was applied to the analysis of oral fluid specimens collected from individuals participating in controlled cannabis studies and will be effective for distinguishing passive environmental contamination from active cannabis smoking. PMID:24622724

Electric Power Consumption Coefficients for U.S. Industries: Regional Estimation and Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boero, Riccardo

Economic activity relies on electric power provided by electrical generation, transmission, and distribution systems. This paper presents a method developed at Los Alamos National Laboratory to estimate electric power consumption by different industries in the United States. Results are validated through comparisons with existing literature and benchmarking data sources. We also discuss the limitations and applications of the presented method, such as estimating indirect electric power consumption and assessing the economic impact of power outages based on input-output economic models.

Direct quantitation of thoracic gallium-67 uptake in sarcoidosis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bourguet, P.; Delaval, P.; Herry, J.Y.

1986-10-01

A method of direct quantitation of /sup 67/Ga uptake in the lung is described. The attenuation coefficient requires calculation and is obtained simply for each patient by transmission using a planar radionuclide source. The validity of the method was tested with a phantom (error less than 10%). Forty-three patients with pulmonary and/or mediastinal sarcoidosis were classified. The different groups of patients as defined clinically and radiographically (controls, nonactive, and active sarcoidosis) were well-differentiated (p less than 0.001).

Internal dosimetry of inhaled iodine-131.

PubMed

Kiani Nasab, Mitra; Rafat Motavalli, Laleh; Miri Hakimabad, Hashem

2018-01-01

In this paper, the dose assessment for the iodine inhalation exposure in 19 aerosol sizes and three gas/vapor forms at three levels of thyroid uptake, was performed. Two different modes of work (light vs. heavy) and breathing (nose vs. mouth) for aerosol inhalation were investigated. In order to calculate the cumulated activities per unit of inhaled activity, a combined model which included the latest models of both human respiratory and alimentary tract was developed. The S values for 131 I were computed based on the ICRP adult male and female reference voxel phantoms by the Monte Carlo method. Then, the committed equivalent and committed effective dose coefficients were obtained (The data are available at http://www.um.ac.ir/∼mirihakim). In general, for the nonzero thyroid uptakes, the maximum cumulated activity was found in the thyroid. When the thyroid is blocked, however, the maximum depends on the work and breathing mode and radioisotope form. Overall, the maximum CED coefficient was evaluated for the inhalation of elemental iodine at thyroid uptake of ∼27% (2.8 × 10 -8 Sv/Bq). As for the particle inhalation per se, mouth breathing of 0.6 nm and 0.2 μm AMTD particles showed to have the maximum (2.8 × 10 -8 Sv/Bq) and minimum (6.4 × 10 -9 Sv/Bq) CED coefficients, respectively. Compared to the reference CED coefficients, the authors found an increase of about 58% for inhalation of the aerosols with AMAD of 1 μm and 70% for 5 μm. Copyright © 2017 Elsevier Ltd. All rights reserved.

Calculation of activities of ions in molten salts with potential application to the pyroprocessing of nuclear waste.

PubMed

Salanne, Mathieu; Simon, Christian; Turq, Pierre; Madden, Paul A

2008-01-31

The ability to separate fission products by electrodeposition from molten salts depends, in part, on differences between the interactions of the different fission product cations with the ions present in the molten salt "solvent". These differences may be expressed as ratios of activity coefficients, which depend on the identity of the solvent and other factors. Here, we demonstrate the ability to calculate these activity coefficient ratios using molecular dynamics simulations with sufficient precision to guide the choice of suitable solvent systems in practical applications. We use polarizable ion interaction potentials which have previously been shown to give excellent agreement with structural, transport, and spectroscopic information of the molten salts, and the activity coefficients calculated in this work agree well with experimental data. The activity coefficients are shown to vary systematically with cation size for a set of trivalent cations.

Translation, Cross-Cultural Adaptation, and Validation of the Activity Rating Scale for Disorders of the Knee

PubMed Central

Flosadottir, Vala; Roos, Ewa M.; Ageberg, Eva

2017-01-01

Background: The Activity Rating Scale (ARS) for disorders of the knee evaluates the level of activity by the frequency of participation in 4 separate activities with high demands on knee function, with a score ranging from 0 (none) to 16 (pivoting activities 4 times/wk). Purpose: To translate and cross-culturally adapt the ARS into Swedish and to assess measurement properties of the Swedish version of the ARS. Study Design: Cohort study (diagnosis); Level of evidence, 2. Methods: The COSMIN guidelines were followed. Participants (N = 100 [55 women]; mean age, 27 years) who were undergoing rehabilitation for a knee injury completed the ARS twice for test-retest reliability. The Knee injury and Osteoarthritis Outcome Score (KOOS), Tegner Activity Scale (TAS), and modernized Saltin-Grimby Physical Activity Level Scale (SGPALS) were administered at baseline to validate the ARS. Construct validity and responsiveness of the ARS were evaluated by testing predefined hypotheses regarding correlations between the ARS, KOOS, TAS, and SGPALS. The Cronbach alpha, intraclass correlation coefficients, absolute reliability, standard error of measurement, smallest detectable change, and Spearman rank-order correlation coefficients were calculated. Results: The ARS showed good internal consistency (α ≈ 0.96), good test-retest reliability (intraclass correlation coefficient >0.9), and no systematic bias between measurements. The standard error of measurement was less than 2 points, and the smallest detectable change was less than 1 point at the group level and less than 5 points at the individual level. More than 75% of the hypotheses were confirmed, indicating good construct validity and good responsiveness of the ARS. Conclusion: The Swedish version of the ARS is valid, reliable, and responsive for evaluating the level of activity based on the frequency of participation in high-demand knee sports activities in young adults with a knee injury. PMID:28979920

Efficient computation of kinship and identity coefficients on large pedigrees.

PubMed

Cheng, En; Elliott, Brendan; Ozsoyoglu, Z Meral

2009-06-01

With the rapidly expanding field of medical genetics and genetic counseling, genealogy information is becoming increasingly abundant. An important computation on pedigree data is the calculation of identity coefficients, which provide a complete description of the degree of relatedness of a pair of individuals. The areas of application of identity coefficients are numerous and diverse, from genetic counseling to disease tracking, and thus, the computation of identity coefficients merits special attention. However, the computation of identity coefficients is not done directly, but rather as the final step after computing a set of generalized kinship coefficients. In this paper, we first propose a novel Path-Counting Formula for calculating generalized kinship coefficients, which is motivated by Wright's path-counting method for computing inbreeding coefficient. We then present an efficient and scalable scheme for calculating generalized kinship coefficients on large pedigrees using NodeCodes, a special encoding scheme for expediting the evaluation of queries on pedigree graph structures. Furthermore, we propose an improved scheme using Family NodeCodes for the computation of generalized kinship coefficients, which is motivated by the significant improvement of using Family NodeCodes for inbreeding coefficient over the use of NodeCodes. We also perform experiments for evaluating the efficiency of our method, and compare it with the performance of the traditional recursive algorithm for three individuals. Experimental results demonstrate that the resulting scheme is more scalable and efficient than the traditional recursive methods for computing generalized kinship coefficients.

Testing the Difference of Correlated Agreement Coefficients for Statistical Significance

ERIC Educational Resources Information Center

Gwet, Kilem L.

2016-01-01

This article addresses the problem of testing the difference between two correlated agreement coefficients for statistical significance. A number of authors have proposed methods for testing the difference between two correlated kappa coefficients, which require either the use of resampling methods or the use of advanced statistical modeling…

Modeling of adipose/blood partition coefficient for environmental chemicals.

PubMed

Papadaki, K C; Karakitsios, S P; Sarigiannis, D A

2017-12-01

A Quantitative Structure Activity Relationship (QSAR) model was developed in order to predict the adipose/blood partition coefficient of environmental chemical compounds. The first step of QSAR modeling was the collection of inputs. Input data included the experimental values of adipose/blood partition coefficient and two sets of molecular descriptors for 67 organic chemical compounds; a) the descriptors from Linear Free Energy Relationship (LFER) and b) the PaDEL descriptors. The datasets were split to training and prediction set and were analysed using two statistical methods; Genetic Algorithm based Multiple Linear Regression (GA-MLR) and Artificial Neural Networks (ANN). The models with LFER and PaDEL descriptors, coupled with ANN, produced satisfying performance results. The fitting performance (R 2 ) of the models, using LFER and PaDEL descriptors, was 0.94 and 0.96, respectively. The Applicability Domain (AD) of the models was assessed and then the models were applied to a large number of chemical compounds with unknown values of adipose/blood partition coefficient. In conclusion, the proposed models were checked for fitting, validity and applicability. It was demonstrated that they are stable, reliable and capable to predict the values of adipose/blood partition coefficient of "data poor" chemical compounds that fall within the applicability domain. Copyright © 2017. Published by Elsevier Ltd.

Theory and simulation of electrolyte mixtures

NASA Astrophysics Data System (ADS)

Lee, B. Hribar; Vlachy, V.; Bhuiyan, L. B.; Outhwaite, C. W.; Molero, M.

Monte Carlo simulation and theoretical results on some aspects of thermodynamics of mixtures of electrolytes with a common species are presented. Both charge symmetric mixtures, where ions differ only in size, and charge asymmetric but size symmetric mixtures at ionic strength ranging generally from I = 10-4 to 1.0 M, and in a few cases up to I = M, are examined. The theoretical methods explored are: (i) the symmetric Poisson-Boltzmann theory, (ii) the modified Poisson-Boltzmann theory and (iii) the hypernetted-chain integral equation. The first two electrolyte mixing coefficients w0 and w1 of the various mixtures are calculated from an accurate determination of their osmotic pressure data. The theories are seen to be consistent among themselves, and with certain limiting laws in the literature, in predicting the trends of the mixing coefficients with respect to ionic strength. Some selected relevant experimental data have been analysed and compared with the theoretical and simulation trends. In addition the mean activity coefficients for a model mimicking the mixture of KCl and KF electrolytes are calculated and hence the Harned coefficients obtained for this system. These calculations are compared with the experimental data and Monte Carlo results available in the literature. The theoretically predicted Harned coefficients are in good agreement with the simulation results for the model KCl-KF mixture.

Determination of lateral-stability derivatives and transfer-function coefficients from frequency-response data for lateral motions

NASA Technical Reports Server (NTRS)

Donegan, James J; Robinson, Samuel W , Jr; Gates, Ordway, B , jr

1955-01-01

A method is presented for determining the lateral-stability derivatives, transfer-function coefficients, and the modes for lateral motion from frequency-response data for a rigid aircraft. The method is based on the application of the vector technique to the equations of lateral motion, so that the three equations of lateral motion can be separated into six equations. The method of least squares is then applied to the data for each of these equations to yield the coefficients of the equations of lateral motion from which the lateral-stability derivatives and lateral transfer-function coefficients are computed. Two numerical examples are given to demonstrate the use of the method.

The Split Coefficient Matrix method for hyperbolic systems of gasdynamic equations

NASA Technical Reports Server (NTRS)

Chakravarthy, S. R.; Anderson, D. A.; Salas, M. D.

1980-01-01

The Split Coefficient Matrix (SCM) finite difference method for solving hyperbolic systems of equations is presented. This new method is based on the mathematical theory of characteristics. The development of the method from characteristic theory is presented. Boundary point calculation procedures consistent with the SCM method used at interior points are explained. The split coefficient matrices that define the method for steady supersonic and unsteady inviscid flows are given for several examples. The SCM method is used to compute several flow fields to demonstrate its accuracy and versatility. The similarities and differences between the SCM method and the lambda-scheme are discussed.

Research on fusion algorithm of polarization image in tetrolet domain

NASA Astrophysics Data System (ADS)

Zhang, Dexiang; Yuan, BaoHong; Zhang, Jingjing

2015-12-01

Tetrolets are Haar-type wavelets whose supports are tetrominoes which are shapes made by connecting four equal-sized squares. A fusion method for polarization images based on tetrolet transform is proposed. Firstly, the magnitude of polarization image and angle of polarization image can be decomposed into low-frequency coefficients and high-frequency coefficients with multi-scales and multi-directions using tetrolet transform. For the low-frequency coefficients, the average fusion method is used. According to edge distribution differences in high frequency sub-band images, for the directional high-frequency coefficients are used to select the better coefficients by region spectrum entropy algorithm for fusion. At last the fused image can be obtained by utilizing inverse transform for fused tetrolet coefficients. Experimental results show that the proposed method can detect image features more effectively and the fused image has better subjective visual effect

Non-destructive testing method for determining the solvent diffusion coefficient in the porous materials products

NASA Astrophysics Data System (ADS)

Belyaev, V. P.; Mishchenko, S. V.; Belyaev, P. S.

2018-01-01

Ensuring non-destructive testing of products in industry is an urgent task. Most of the modern methods for determining the diffusion coefficient in porous materials have been developed for bodies of a given configuration and size. This leads to the need for finished products destruction to make experimental samples from them. The purpose of this study is the development of a dynamic method that allows operatively determine the diffusion coefficient in finished products from porous materials without destroying them. The method is designed to investigate the solvents diffusion coefficient in building constructions from materials having a porous structure: brick, concrete and aerated concrete, gypsum, cement, gypsum or silicate solutions, gas silicate blocks, heat insulators, etc. A mathematical model of the method is constructed. The influence of the design and measuring device operating parameters on the method accuracy is studied. The application results of the developed method for structural porous products are presented.

An Improved Method of Predicting Extinction Coefficients for the Determination of Protein Concentration.

PubMed

Hilario, Eric C; Stern, Alan; Wang, Charlie H; Vargas, Yenny W; Morgan, Charles J; Swartz, Trevor E; Patapoff, Thomas W

2017-01-01

Concentration determination is an important method of protein characterization required in the development of protein therapeutics. There are many known methods for determining the concentration of a protein solution, but the easiest to implement in a manufacturing setting is absorption spectroscopy in the ultraviolet region. For typical proteins composed of the standard amino acids, absorption at wavelengths near 280 nm is due to the three amino acid chromophores tryptophan, tyrosine, and phenylalanine in addition to a contribution from disulfide bonds. According to the Beer-Lambert law, absorbance is proportional to concentration and path length, with the proportionality constant being the extinction coefficient. Typically the extinction coefficient of proteins is experimentally determined by measuring a solution absorbance then experimentally determining the concentration, a measurement with some inherent variability depending on the method used. In this study, extinction coefficients were calculated based on the measured absorbance of model compounds of the four amino acid chromophores. These calculated values for an unfolded protein were then compared with an experimental concentration determination based on enzymatic digestion of proteins. The experimentally determined extinction coefficient for the native proteins was consistently found to be 1.05 times the calculated value for the unfolded proteins for a wide range of proteins with good accuracy and precision under well-controlled experimental conditions. The value of 1.05 times the calculated value was termed the predicted extinction coefficient. Statistical analysis shows that the differences between predicted and experimentally determined coefficients are scattered randomly, indicating no systematic bias between the values among the proteins measured. The predicted extinction coefficient was found to be accurate and not subject to the inherent variability of experimental methods. We propose the use of a predicted extinction coefficient for determining the protein concentration of therapeutic proteins starting from early development through the lifecycle of the product. LAY ABSTRACT: Knowing the concentration of a protein in a pharmaceutical solution is important to the drug's development and posology. There are many ways to determine the concentration, but the easiest one to use in a testing lab employs absorption spectroscopy. Absorbance of ultraviolet light by a protein solution is proportional to its concentration and path length; the proportionality constant is the extinction coefficient. The extinction coefficient of a protein therapeutic is usually determined experimentally during early product development and has some inherent method variability. In this study, extinction coefficients of several proteins were calculated based on the measured absorbance of model compounds. These calculated values for an unfolded protein were then compared with experimental concentration determinations based on enzymatic digestion of the proteins. The experimentally determined extinction coefficient for the native protein was 1.05 times the calculated value for the unfolded protein with good accuracy and precision under controlled experimental conditions, so the value of 1.05 times the calculated coefficient was called the predicted extinction coefficient. Comparison of predicted and measured extinction coefficients indicated that the predicted value was very close to the experimentally determined values for the proteins. The predicted extinction coefficient was accurate and removed the variability inherent in experimental methods. © PDA, Inc. 2017.

Study of the influence of surfactants on the activity coefficients and mass transfer coefficients of methanol in aqueous mixtures by reversed-flow gas chromatography.

PubMed

Kotsalos, Efthimios; Brezovska, Boryana; Sevastos, Dimitrios; Vagena, Artemis; Koliadima, Athanasia; Kapolos, John; Karaiskakis, George

2017-11-17

This work focuses on the influences of surfactants on the activity coefficients, γ, of methanol in binary mixtures with water, as well as on the mass transfer coefficients, k c , for the evaporation of methanol, which is a ubiquitous component in the troposphere, from mixtures of methanol with water at various surfactant's and methanol's concentrations. The technique used is the Reversed-Flow Gas Chromatography (R.F.G.C.), a version of Inverse Gas Chromatography, which allows determining both parameters by performing only one experiment for the k c parameter and two experiments for the γ parameter. The k c and γ values decrease in the presence of the three surfactants used (CTAB, SDS, TRITON X-100) at all methanol's and surfactant's concentrations. The decrease in the methanol's molar fraction, at constant number of surfactant films leads to a decrease in the k c and γ values, while the decrease in the surfactant's concentration, at constant methanol's molar fraction leads to an increase in both the k c and γ parameters. Mass transfer coefficients for the evaporation of methanol at the surfactant films, are also calculated which are approximately between 4 and 5 orders of magnitude larger than the corresponding mass transfer coefficients at the liquid films. Finally, thicknesses of the boundary layer of methanol in the mixtures of methanol with water were determined. The quantities found are compared with those given in the literature or calculated theoretically using various empirical equations. The precision of the R.F.G.C. method for measuring γ and k c parameters is approximately high (94.3-98.0%), showing that R.F.G.C. can be used with success not only for the thermodynamic study of solutions, but also for the interphase transport. Copyright © 2017 Elsevier B.V. All rights reserved.

Repeatable noninvasive measurement of mouse myocardial glucose uptake with 18F-FDG: evaluation of tracer kinetics in a type 1 diabetes model.

PubMed

Thorn, Stephanie L; deKemp, Robert A; Dumouchel, Tyler; Klein, Ran; Renaud, Jennifer M; Wells, R Glenn; Gollob, Michael H; Beanlands, Rob S; DaSilva, Jean N

2013-09-01

A noninvasive and repeatable method for assessing mouse myocardial glucose uptake with (18)F-FDG PET and Patlak kinetic analysis was systematically assessed using the vena cava image-derived blood input function (IDIF). Contrast CT and computer modeling was used to determine the vena cava recovery coefficient. Vena cava IDIF (n = 7) was compared with the left ventricular cavity IDIF, with blood and liver activity measured ex vivo at 60 min. The test-retest repeatability (n = 9) of Patlak influx constant K(i) at 10-40 min was assessed quantitatively using Bland-Altman analysis. Myocardial glucose uptake rates (rMGU) using the vena cava IDIF were calculated at baseline (n = 8), after induction of type 1 diabetes (streptozotocin [50 mg/kg] intraperitoneally, 5 d), and after acute insulin stimulation (0.08 mU/kg of body weight intraperitoneally). These changes were analyzed with a standardized uptake value calculation at 20 and 40 min after injection to correlate to the Patlak time interval. The proximal mouse vena cava diameter was 2.54 ± 0.30 mm. The estimated recovery coefficient, calculated using nonlinear image reconstruction, decreased from 0.76 initially (time 0 to peak activity) to 0.61 for the duration of the scan. There was a 17% difference in the image-derived vena cava blood activity at 60 min, compared with the ex vivo blood activity measured in the γ-counter. The coefficient of variability for Patlak K(i) values between mice was found to be 23% with the proposed method, compared with 51% when using the left ventricular cavity IDIF (P < 0.05). No significant bias in K(i) was found between repeated scans with a coefficient of repeatability of 0.16 mL/min/g. Calculated rMGU values were reduced by 60% in type 1 diabetic mice from baseline scans (P < 0.03, ANOVA), with a subsequent increase of 40% to a level not significantly different from baseline after acute insulin treatment. These results were confirmed with a standardized uptake value measured at 20 and 40 min. The mouse vena cava IDIF provides repeatable assessment of the blood time-activity curve for Patlak kinetic modeling of rMGU. An expected significant reduction in myocardial glucose uptake was demonstrated in a type 1 diabetic mouse model, with significant recovery after acute insulin treatment, using a mouse vena cava IDIF approach.

[Fractal dimension--a new EEG-based method of assessing the depth of anaesthesia].

PubMed

Willand, Monika; Rudner, Robert; Olejarczyk, Elzbieta; Wartak, Magdalena; Marciniak, Radosław; Stasiowski, Michał; Byrczek, Tomasz; Jałowiecki, Przemysław

2008-01-01

It has been suggested that analysis of the EEG signal using the fractal dimension method may be useful for assessment of depth of anaesthesia. Thirty ASA I and II patients, scheduled for elective surgery under general anaesthesia were induced with midazolam, fentanyl and propofol and paralyzed with rocuronium or cis-atracurium. Clinical signs of the depth of anaesthesia were classified to one of five OAA/S levels. Standard vital parameters were observed and brain electrical activity was measured using the bispectral index (BIS) and burst suppression ratio (BSR). The EEG signal was recorded and processed postoperatively to calculate Higuchi's fractal dimension (FD). The latter was presented as a derivative: (D(F)-1) x 100. Mean correlation coefficients between OAA/S scale levels, and BIS and (D(F)-1) x 100 values, were respectively: 0.749+/-0.172 and 0.753+/-0.220. In 28 (93.3%) patients, BIS correlated well with FD (r=0.63+/-0.33). In twenty cases, burst suppression occurred and the correlation coefficient between BIS and DF was much lower (r=0.5860+/-3650), when compared to the group of 10 patients in which no burst suppression was detected (r=0.711+/-0.251). Appropriate correction was made using the following formula: D(FK)=D(F)-(D(F) x BSR). The mean correlation coefficient between BIS values and D(FK) in the BS group was r=0.629+/-0.331. In all cases, the mean correlation coefficient between (D(F)-1) x 100 and BIS was r=0.661+/-0.307 (p<0.001). The fractal dimension method can be regarded as equal to BIS for assessment of depth of anaesthesia.

Experimental determination of the partitioning coefficient of β-pinene oxidation products in SOAs.

PubMed

Hohaus, Thorsten; Gensch, Iulia; Kimmel, Joel; Worsnop, Douglas R; Kiendler-Scharr, Astrid

2015-06-14

The composition of secondary organic aerosols (SOAs) formed by β-pinene ozonolysis was experimentally investigated in the Juelich aerosol chamber. Partitioning of oxidation products between gas and particles was measured through concurrent concentration measurements in both phases. Partitioning coefficients (Kp) of 2.23 × 10(-5) ± 3.20 × 10(-6) m(3) μg(-1) for nopinone, 4.86 × 10(-4) ± 1.80 × 10(-4) m(3) μg(-1) for apoverbenone, 6.84 × 10(-4) ± 1.52 × 10(-4) m(3) μg(-1) for oxonopinone and 2.00 × 10(-3) ± 1.13 × 10(-3) m(3) μg(-1) for hydroxynopinone were derived, showing higher values for more oxygenated species. The observed Kp values were compared with values predicted using two different semi-empirical approaches. Both methods led to an underestimation of the partitioning coefficients with systematic differences between the methods. Assuming that the deviation between the experiment and the model is due to non-ideality of the mixed solution in particles, activity coefficients of 4.82 × 10(-2) for nopinone, 2.17 × 10(-3) for apoverbenone, 3.09 × 10(-1) for oxonopinone and 7.74 × 10(-1) for hydroxynopinone would result using the vapour pressure estimation technique that leads to higher Kp. We discuss that such large non-ideality for nopinone could arise due to particle phase processes lowering the effective nopinone vapour pressure such as diol- or dimer formation. The observed high partitioning coefficients compared to modelled results imply an underestimation of SOA mass by applying equilibrium conditions.

Activity coefficients of NiO and CoO in CaO-Al2O3-SiO2 slag and their application to the recycling of Ni-Co-Fe-based end-of-life superalloys via remelting

NASA Astrophysics Data System (ADS)

Lu, Xin; Miki, Takahiro; Nagasaka, Tetsuya

2017-01-01

To design optimal pyrometallurgical processes for nickel and cobalt recycling, and more particularly for the end-of-life process of Ni-Co-Fe-based end-of-life (EoL) superalloys, knowledge of their activity coefficients in slags is essential. In this study, the activity coefficients of NiO and CoO in CaO-Al2O3-SiO2 slag, a candidate slag used for the EoL superalloy remelting process, were measured using gas/slag/metal equilibrium experiments. These activity coefficients were then used to consider the recycling efficiency of nickel and cobalt by remelting EoL superalloys using CaO-Al2O3-SiO2 slag. The activity coefficients of NiO and CoO in CaO-Al2O3-SiO2 slag both show a positive deviation from Raoult's law, with values that vary from 1 to 5 depending on the change in basicity. The activity coefficients of NiO and CoO peak in the slag with a composition near B = (%CaO)/(%SiO2) = 1, where B is the basicity. We observed that controlling the slag composition at approximately B = 1 effectively reduces the cobalt and nickel oxidation losses and promotes the oxidation removal of iron during the remelting process of EoL superalloys.

Comparing Chemistry to Outcome: The Development of a Chemical Distance Metric, Coupled with Clustering and Hierarchal Visualization Applied to Macromolecular Crystallography

PubMed Central

Bruno, Andrew E.; Ruby, Amanda M.; Luft, Joseph R.; Grant, Thomas D.; Seetharaman, Jayaraman; Montelione, Gaetano T.; Hunt, John F.; Snell, Edward H.

2014-01-01

Many bioscience fields employ high-throughput methods to screen multiple biochemical conditions. The analysis of these becomes tedious without a degree of automation. Crystallization, a rate limiting step in biological X-ray crystallography, is one of these fields. Screening of multiple potential crystallization conditions (cocktails) is the most effective method of probing a proteins phase diagram and guiding crystallization but the interpretation of results can be time-consuming. To aid this empirical approach a cocktail distance coefficient was developed to quantitatively compare macromolecule crystallization conditions and outcome. These coefficients were evaluated against an existing similarity metric developed for crystallization, the C6 metric, using both virtual crystallization screens and by comparison of two related 1,536-cocktail high-throughput crystallization screens. Hierarchical clustering was employed to visualize one of these screens and the crystallization results from an exopolyphosphatase-related protein from Bacteroides fragilis, (BfR192) overlaid on this clustering. This demonstrated a strong correlation between certain chemically related clusters and crystal lead conditions. While this analysis was not used to guide the initial crystallization optimization, it led to the re-evaluation of unexplained peaks in the electron density map of the protein and to the insertion and correct placement of sodium, potassium and phosphate atoms in the structure. With these in place, the resulting structure of the putative active site demonstrated features consistent with active sites of other phosphatases which are involved in binding the phosphoryl moieties of nucleotide triphosphates. The new distance coefficient, CDcoeff, appears to be robust in this application, and coupled with hierarchical clustering and the overlay of crystallization outcome, reveals information of biological relevance. While tested with a single example the potential applications related to crystallography appear promising and the distance coefficient, clustering, and hierarchal visualization of results undoubtedly have applications in wider fields. PMID:24971458

Predicting the activity of drugs for a group of imidazopyridine anticoccidial compounds.

PubMed

Si, Hongzong; Lian, Ning; Yuan, Shuping; Fu, Aiping; Duan, Yun-Bo; Zhang, Kejun; Yao, Xiaojun

2009-10-01

Gene expression programming (GEP) is a novel machine learning technique. The GEP is used to build nonlinear quantitative structure-activity relationship model for the prediction of the IC(50) for the imidazopyridine anticoccidial compounds. This model is based on descriptors which are calculated from the molecular structure. Four descriptors are selected from the descriptors' pool by heuristic method (HM) to build multivariable linear model. The GEP method produced a nonlinear quantitative model with a correlation coefficient and a mean error of 0.96 and 0.24 for the training set, 0.91 and 0.52 for the test set, respectively. It is shown that the GEP predicted results are in good agreement with experimental ones.

Optimization of preparation of antioxidative peptides from pumpkin seeds using response surface method.

PubMed

Fan, Sanhong; Hu, Yanan; Li, Chen; Liu, Yanrong

2014-01-01

Protein isolates of pumpkin (Cucurbita pepo L) seeds were hydrolyzed by acid protease to prepare antioxidative peptides. The hydrolysis conditions were optimized through Box-Behnken experimental design combined with response surface method (RSM). The second-order model, developed for the DPPH radical scavenging activity of pumpkin seed hydrolysates, showed good fit with the experiment data with a high value of coefficient of determination (0.9918). The optimal hydrolysis conditions were determined as follows: hydrolyzing temperature 50°C, pH 2.5, enzyme amount 6000 U/g, substrate concentration 0.05 g/ml and hydrolyzing time 5 h. Under the above conditions, the scavenging activity of DPPH radical was as high as 92.82%.

A triaxial accelerometer-based physical-activity recognition via augmented-signal features and a hierarchical recognizer.

PubMed

Khan, Adil Mehmood; Lee, Young-Koo; Lee, Sungyoung Y; Kim, Tae-Seong

2010-09-01

Physical-activity recognition via wearable sensors can provide valuable information regarding an individual's degree of functional ability and lifestyle. In this paper, we present an accelerometer sensor-based approach for human-activity recognition. Our proposed recognition method uses a hierarchical scheme. At the lower level, the state to which an activity belongs, i.e., static, transition, or dynamic, is recognized by means of statistical signal features and artificial-neural nets (ANNs). The upper level recognition uses the autoregressive (AR) modeling of the acceleration signals, thus, incorporating the derived AR-coefficients along with the signal-magnitude area and tilt angle to form an augmented-feature vector. The resulting feature vector is further processed by the linear-discriminant analysis and ANNs to recognize a particular human activity. Our proposed activity-recognition method recognizes three states and 15 activities with an average accuracy of 97.9% using only a single triaxial accelerometer attached to the subject's chest.

HPLC determination of four active saponins from Panax notoginseng in rat serum and its application to pharmacokinetic studies.

PubMed

Li, Lie; Sheng, Yuxin; Zhang, Jinlan; Wang, Chuanshe; Guo, Dean

2004-12-01

Four main active saponins (ginsenosides Rg1, Rb1, Rd and notoginsenoside R1) in Panax notoginseng in rat serum after oral and intravenous administration of total saponins of P. notoginseng (PNS) to rats were determined using a simple and sensitive high-performance chromatographic method. The serum samples were pretreated with solid-phase extraction before analysis. The calibration curves for the four saponins were linear in the given concentration ranges. The intra-day and inter-day assay coefficients in serum were less than 10.0% and the recoveries of the method were higher than 80.0% in the high, middle and low concentrations. This method was applied to study the pharmacokinetics following oral and intravenous administration of PNS. Copyright 2004 John Wiley & Sons, Ltd.

Sensitivity evaluation of dynamic speckle activity measurements using clustering methods.

PubMed

Etchepareborda, Pablo; Federico, Alejandro; Kaufmann, Guillermo H

2010-07-01

We evaluate and compare the use of competitive neural networks, self-organizing maps, the expectation-maximization algorithm, K-means, and fuzzy C-means techniques as partitional clustering methods, when the sensitivity of the activity measurement of dynamic speckle images needs to be improved. The temporal history of the acquired intensity generated by each pixel is analyzed in a wavelet decomposition framework, and it is shown that the mean energy of its corresponding wavelet coefficients provides a suited feature space for clustering purposes. The sensitivity obtained by using the evaluated clustering techniques is also compared with the well-known methods of Konishi-Fujii, weighted generalized differences, and wavelet entropy. The performance of the partitional clustering approach is evaluated using simulated dynamic speckle patterns and also experimental data.

Electrochemical studies and analysis of 1-10 wt% UCl3 concentrations in molten LiCl-KCl eutectic

NASA Astrophysics Data System (ADS)

Hoover, Robert O.; Shaltry, Michael R.; Martin, Sean; Sridharan, Kumar; Phongikaroon, Supathorn

2014-09-01

Three electrochemical methods - cyclic voltammetry (CV), chronopotentiometry (CP), and anodic stripping voltammetry (ASV) - were applied to solutions of up to 10 wt% UCl3 in the molten LiCl-KCl eutectic salt at 500 °C to determine electrochemical properties and behaviors and to help provide a scientific basis for the development of an in situ electrochemical probe for determining the concentration of uranium in a used nuclear fuel electrorefiner. Diffusion coefficients of UCl4 and UCl3 were calculated to be (6.72 ± 0.360) × 10-6 cm2/s and (1.04 ± 0.17) × 10-5 cm2/s, respectively. Apparent standard reduction potentials were determined to be (-0.381 ± 0.013) V and (-1.502 ± 0.076) V vs. 5 mol% Ag/AgCl or (-1.448 ± 0.013) V and (-2.568 ± 0.076) V vs. Cl2/Cl- for the U(IV)/U(III) and U(III)/U redox couples, respectively. In comparing this data with supercooled thermodynamic data to determine activity coefficients, the thermodynamic database used was important with resulting activity coefficients ranging from 2.34 × 10-3 to 1.08 × 10-2 for UCl4 and 4.94 × 10-5 to 4.50 × 10-4 for UCl3. Of anodic stripping voltammetry and cyclic voltammetry anodic or cathodic peaks, the CV cathodic peak height divided by square root of scan rate was shown to be the most reliable method of determining UCl3 concentration in the molten salt.

Bootstrap Methods: A Very Leisurely Look.

ERIC Educational Resources Information Center

Hinkle, Dennis E.; Winstead, Wayland H.

The Bootstrap method, a computer-intensive statistical method of estimation, is illustrated using a simple and efficient Statistical Analysis System (SAS) routine. The utility of the method for generating unknown parameters, including standard errors for simple statistics, regression coefficients, discriminant function coefficients, and factor…

On determination of sign of the piezo-optic coefficients using torsion method.

PubMed

Vasylkiv, Yurij; Savaryn, Viktoriya; Smaga, Ihor; Skab, Ihor; Vlokh, Rostyslav

2011-06-10

We have shown that a high-accuracy torsion method recently developed by the authors for measuring piezo-optic coefficients allows determining not only the absolute value of the coefficients but also their sign. The techniques and experimental procedures used for determination of the sign are described in detail and proven based on studies of α-BaB2O4 and LiNbO3 crystals. The piezo-optic coefficients are determined for both crystals, and a combination of the corresponding photoelastic coefficients is determined for the case of α-BaB2O4 crystals.

2D-QSAR and 3D-QSAR Analyses for EGFR Inhibitors

PubMed Central

Zhao, Manman; Zheng, Linfeng; Qiu, Chun

2017-01-01

Epidermal growth factor receptor (EGFR) is an important target for cancer therapy. In this study, EGFR inhibitors were investigated to build a two-dimensional quantitative structure-activity relationship (2D-QSAR) model and a three-dimensional quantitative structure-activity relationship (3D-QSAR) model. In the 2D-QSAR model, the support vector machine (SVM) classifier combined with the feature selection method was applied to predict whether a compound was an EGFR inhibitor. As a result, the prediction accuracy of the 2D-QSAR model was 98.99% by using tenfold cross-validation test and 97.67% by using independent set test. Then, in the 3D-QSAR model, the model with q2 = 0.565 (cross-validated correlation coefficient) and r2 = 0.888 (non-cross-validated correlation coefficient) was built to predict the activity of EGFR inhibitors. The mean absolute error (MAE) of the training set and test set was 0.308 log units and 0.526 log units, respectively. In addition, molecular docking was also employed to investigate the interaction between EGFR inhibitors and EGFR. PMID:28630865

Calibration test of the temperature and strain sensitivity coefficient in regional reference grating method

NASA Astrophysics Data System (ADS)

Wu, Jing; Huang, Junbing; Wu, Hanping; Gu, Hongcan; Tang, Bo

2014-12-01

In order to verify the validity of the regional reference grating method in solve the strain/temperature cross sensitive problem in the actual ship structural health monitoring system, and to meet the requirements of engineering, for the sensitivity coefficients of regional reference grating method, national standard measurement equipment is used to calibrate the temperature sensitivity coefficient of selected FBG temperature sensor and strain sensitivity coefficient of FBG strain sensor in this modal. And the thermal expansion sensitivity coefficient of the steel for ships is calibrated with water bath method. The calibration results show that the temperature sensitivity coefficient of FBG temperature sensor is 28.16pm/°C within -10~30°C, and its linearity is greater than 0.999, the strain sensitivity coefficient of FBG strain sensor is 1.32pm/μɛ within -2900~2900μɛ whose linearity is almost to 1, the thermal expansion sensitivity coefficient of the steel for ships is 23.438pm/°C within 30~90°C, and its linearity is greater than 0.998. Finally, the calibration parameters are used in the actual ship structure health monitoring system for temperature compensation. The results show that the effect of temperature compensation is good, and the calibration parameters meet the engineering requirements, which provide an important reference for fiber Bragg grating sensor is widely used in engineering.

Evaluating fMRI methods for assessing hemispheric language dominance in healthy subjects.

PubMed

Baciu, Monica; Juphard, Alexandra; Cousin, Emilie; Bas, Jean François Le

2005-08-01

We evaluated two methods for quantifying the hemispheric language dominance in healthy subjects, by using a rhyme detection (deciding whether couple of words rhyme) and a word fluency (generating words starting with a given letter) task. One of methods called "flip method" (FM) was based on the direct statistical comparison between hemispheres' activity. The second one, the classical lateralization indices method (LIM), was based on calculating lateralization indices by taking into account the number of activated pixels within hemispheres. The main difference between methods is the statistical assessment of the inter-hemispheric difference: while FM shows if the difference between hemispheres' activity is statistically significant, LIM shows only that if there is a difference between hemispheres. The robustness of LIM and FM was assessed by calculating correlation coefficients between LIs obtained with each of these methods and manual lateralization indices MLI obtained with Edinburgh inventory. Our results showed significant correlation between LIs provided by each method and the MIL, suggesting that both methods are robust for quantifying hemispheric dominance for language in healthy subjects. In the present study we also evaluated the effect of spatial normalization, smoothing and "clustering" (NSC) on the intra-hemispheric location of activated regions and inter-hemispheric asymmetry of the activation. Our results have shown that NSC did not affect the hemispheric specialization but increased the value of the inter-hemispheric difference.

Ileal Crohn disease: mural microvascularity quantified with contrast-enhanced US correlates with disease activity.

PubMed

De Franco, Antonio; Di Veronica, Alessandra; Armuzzi, Alessandro; Roberto, Italia; Marzo, Manuela; De Pascalis, Barbara; De Vitis, Italo; Papa, Alfredo; Bock, Enrico; Danza, Francesco M; Bonomo, Lorenzo; Guidi, Luisa

2012-02-01

To quantitatively assess microvascular activation in the thickened ileal walls of patients with Crohn disease (CD) by using contrast-enhanced ultrasonography (US) and evaluate its correlation with widely used indexes of CD activity. This prospective study was approved by the ethics committee, and written informed consent was obtained from all patients. The authors examined 54 consecutively enrolled patients (mean age, 35.29 years; age range, 18-69 years; 39 men, 15 women) with endoscopically confirmed CD of the terminal ileum. Ileal wall segments thicker than 3 mm were examined with low-mechanical-index contrast-enhanced US and a second-generation US contrast agent. The authors analyzed software-plotted time-enhancement intensity curves to determine the maximum peak intensity (MPI) and wash-in slope coefficient (β) and evaluated their correlation with (a) the composite index of CD activity (CICDA), (b) the CD activity index (CDAI), and (c) the simplified endoscopic score for CD (SES-CD, evaluated in 37 patients) for the terminal ileum. Statistical analysis was performed with the Mann-Whitney test, Spearman rank test, and receiver operating characteristic (ROC) analysis. MPI and β coefficients were significantly increased in the 36 patients with a CICDA indicative of active disease (P<.0001 for both), the 33 patients with a CDAI of at least 150 (P<.032 and P<.0074, respectively), and the 26 patients with an SES-CD of at least 1 (P<.0001 and P<.002, respectively). ROC analysis revealed accurate identification (compared with CICDA) of active CD with an MPI threshold of 24 video intensity (VI) (sensitivity, 97%; specificity, 83%) and a β coefficient of 4.5 VI/sec (sensitivity, 86%; specificity, 83%). Contrast-enhanced US of the ileal wall is a promising method for objective, reproducible assessment of disease activity in patients with ileal CD. © RSNA, 2011

Quantitative digital image analysis of chromogenic assays for high throughput screening of alpha-amylase mutant libraries.

PubMed

Shankar, Manoharan; Priyadharshini, Ramachandran; Gunasekaran, Paramasamy

2009-08-01

An image analysis-based method for high throughput screening of an alpha-amylase mutant library using chromogenic assays was developed. Assays were performed in microplates and high resolution images of the assay plates were read using the Virtual Microplate Reader (VMR) script to quantify the concentration of the chromogen. This method is fast and sensitive in quantifying 0.025-0.3 mg starch/ml as well as 0.05-0.75 mg glucose/ml. It was also an effective screening method for improved alpha-amylase activity with a coefficient of variance of 18%.

Estimation of excess energies and activity coefficients for the penternary Ni-Cr-Co-Al-Mo system and its subsystems

NASA Astrophysics Data System (ADS)

Dogan, A.; Arslan, H.; Dogan, T.

2015-06-01

Using different prediction methods, such as the General Solution Model of Kohler and Muggianu, the excess energy and activities of molybdenum for the sections of the phase diagram for the penternary Ni-Cr-Co-Al-Mo system with mole ratios xNi/ xMo = 1, xCr/ xMo = 1, xCo/ xMo = 1, and xAl/ xMo = r = 0.5 and 1, were thermodynamically investigated at a temperature of 2000 K, whereas the excess energy and activities of Bi for the section corresponding to the ternary Bi-Ga-Sb system with mole ratio xGa/ xSb = 1/9 were thermodynamically investigated at a temperature of 1073 K. In the case of r = 0.5 and 1 in the alloys Ni-Cr-Co-Al-Mo, a positive deviation in the activity coefficient was revealed, as molybdenum content increased. Moreover, in the calculations performed in Chou's GSM model, the obtained values for excess Gibbs energies are negative in the whole concentration range of bismuth at 1073 K and exhibit the minimum of about -2.2 kJ/mol at the mole ratio xGa/ xSb = 1/9 in the alloy Bi-Ga-Sb.

Network community structure and loop coefficient method

NASA Astrophysics Data System (ADS)

Vragović, I.; Louis, E.

2006-07-01

A modular structure, in which groups of tightly connected nodes could be resolved as separate entities, is a property that can be found in many complex networks. In this paper, we propose a algorithm for identifying communities in networks. It is based on a local measure, so-called loop coefficient that is a generalization of the clustering coefficient. Nodes with a large loop coefficient tend to be core inner community nodes, while other vertices are usually peripheral sites at the borders of communities. Our method gives satisfactory results for both artificial and real-world graphs, if they have a relatively pronounced modular structure. This type of algorithm could open a way of interpreting the role of nodes in communities in terms of the local loop coefficient, and could be used as a complement to other methods.

Quantitative structure-activity relationship study of antioxidative peptide by using different sets of amino acids descriptors

NASA Astrophysics Data System (ADS)

Li, Yao-Wang; Li, Bo; He, Jiguo; Qian, Ping

2011-07-01

A database consisting of 214 tripeptides which contain either His or Tyr residue was applied to study quantitative structure-activity relationships (QSAR) of antioxidative tripeptides. Partial Least-Squares Regression analysis (PLSR) was conducted using parameters individually of each amino acid descriptor, including Divided Physico-chemical Property Scores (DPPS), Hydrophobic, Electronic, Steric, and Hydrogen (HESH), Vectors of Hydrophobic, Steric, and Electronic properties (VHSE), Molecular Surface-Weighted Holistic Invariant Molecular (MS-WHIM), isotropic surface area-electronic charge index (ISA-ECI) and Z-scale, to describe antioxidative tripeptides as X-variables and antioxidant activities measured with ferric thiocyanate methods were as Y-variable. After elimination of outliers by Hotelling's T 2 method and residual analysis, six significant models were obtained describing the entire data set. According to cumulative squared multiple correlation coefficients ( R2), cumulative cross-validation coefficients ( Q2) and relative standard deviation for calibration set (RSD c), the qualities of models using DPPS, HESH, ISA-ECI, and VHSE descriptors are better ( R2 > 0.6, Q2 > 0.5, RSD c < 0.39) than that of models using MS-WHIM and Z-scale descriptors ( R2 < 0.6, Q2 < 0.5, RSD c > 0.44). Furthermore, the predictive ability of models using DPPS descriptor is best among the six descriptors systems (cumulative multiple correlation coefficient for predict set ( Rext2) > 0.7). It was concluded that the DPPS is better to describe the amino acid of antioxidative tripeptides. The results of DPPS descriptor reveal that the importance of the center amino acid and the N-terminal amino acid are far more than the importance of the C-terminal amino acid for antioxidative tripeptides. The hydrophobic (positively to activity) and electronic (negatively to activity) properties of the N-terminal amino acid are suggested to play the most important significance to activity, followed by the hydrogen bond (positively to activity) of the center amino acid. The N-terminal amino acid should be a high hydrophobic and low electronic amino acid (such as Ala, Gly, Val, and Leu); the center amino acid would be an amino acid that possesses high hydrogen bond property (such as base amino acid Arg, Lys, and His). The structural characteristics of antioxidative peptide be found in this paper may contribute to the further research of antioxidative mechanism.

Diffusion coefficients of organic molecules in sucrose-water solutions and comparison with Stokes-Einstein predictions

NASA Astrophysics Data System (ADS)

Chenyakin, Yuri; Ullmann, Dagny A.; Evoy, Erin; Renbaum-Wolff, Lindsay; Kamal, Saeid; Bertram, Allan K.

2017-02-01

The diffusion coefficients of organic species in secondary organic aerosol (SOA) particles are needed to predict the growth and reactivity of these particles in the atmosphere. Previously, viscosity measurements, along with the Stokes-Einstein relation, have been used to estimate the diffusion rates of organics within SOA particles or proxies of SOA particles. To test the Stokes-Einstein relation, we have measured the diffusion coefficients of three fluorescent organic dyes (fluorescein, rhodamine 6G and calcein) within sucrose-water solutions with varying water activity. Sucrose-water solutions were used as a proxy for SOA material found in the atmosphere. Diffusion coefficients were measured using fluorescence recovery after photobleaching. For the three dyes studied, the diffusion coefficients vary by 4-5 orders of magnitude as the water activity varied from 0.38 to 0.80, illustrating the sensitivity of the diffusion coefficients to the water content in the matrix. At the lowest water activity studied (0.38), the average diffusion coefficients were 1.9 × 10-13, 1.5 × 10-14 and 7.7 × 10-14 cm2 s-1 for fluorescein, rhodamine 6G and calcein, respectively. The measured diffusion coefficients were compared with predictions made using literature viscosities and the Stokes-Einstein relation. We found that at water activity ≥ 0.6 (which corresponds to a viscosity of ≤ 360 Pa s and Tg/T ≤ 0.81), predicted diffusion rates agreed with measured diffusion rates within the experimental uncertainty (Tg represents the glass transition temperature and T is the temperature of the measurements). When the water activity was 0.38 (which corresponds to a viscosity of 3.3 × 106 Pa s and a Tg/T of 0.94), the Stokes-Einstein relation underpredicted the diffusion coefficients of fluorescein, rhodamine 6G and calcein by a factor of 118 (minimum of 10 and maximum of 977), a factor of 17 (minimum of 3 and maximum of 104) and a factor of 70 (minimum of 8 and maximum of 494), respectively. This disagreement is significantly smaller than the disagreement observed when comparing measured and predicted diffusion coefficients of water in sucrose-water mixtures.

Characterizations of the radioactive waste by the remotely-controlled collimated spectrometric system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stepanov, Vyacheslav E.; Potapov, Victor N.; Smirnov, Sergey V.

Decontamination and decommissioning of the research reactors MR (Testing Reactor) and RFT (Reactor of Physics and Technology) has recently been initiated in the National Research Center (NRC) 'Kurchatov institute', Moscow. In the building, neighboring to the reactor, the storage of HLRW is located. The storage is made of monolithic concrete in which steel cells depth 4 m are located. In cells of storage the HLRW packed into cases are placed. These the radioactive waste are also subject to export on long storage in the specialized organization. For characterization of the radioactive waste in cases the remote-controlled collimated spectrometer system wasmore » used. The system consists of a spectrometric collimated gamma-ray detector, a color video camera and a control unit, mounted on a rotator, which are mounted on a tripod with the host computer. For determination of specific activity of radionuclides in cases, it is developed programs of calculation of coefficients of proportionality of specific activity to the corresponding speeds of the account in peaks of full absorption at single specific activity of radionuclides in cases. For determination of these coefficients the mathematical model of spectrometer system based on the Monte-Carlo method was used. Dependences of calibration coefficients for various radionuclides from distance between the detector and a case at various values of the radioactive waste density in cases are given. Measurements of specific activity in cases are taken and are discussed. By results of measurements decisions on the appeal of the radioactive waste being in cases are made. (authors)« less

Validation of the Regicor Short Physical Activity Questionnaire for the Adult Population

PubMed Central

Molina, Luis; Sarmiento, Manuel; Peñafiel, Judith; Donaire, David; Garcia-Aymerich, Judith; Gomez, Miquel; Ble, Mireia; Ruiz, Sonia; Frances, Albert; Schröder, Helmut; Marrugat, Jaume; Elosua, Roberto

2017-01-01

Objective To develop and validate a short questionnaire to estimate physical activity (PA) practice and sedentary behavior for the adult population. Methods The short questionnaire was developed using data from a cross-sectional population-based survey (n = 6352) that included the Minnesota leisure-time PA questionnaire. Activities that explained a significant proportion of the variability of population PA practice were identified. Validation of the short questionnaire included a cross-sectional component to assess validity with respect to the data collected by accelerometers and a longitudinal component to assess reliability and sensitivity to detect changes (n = 114, aged 35 to 74 years). Results Six types of activities that accounted for 87% of population variability in PA estimated with the Minnesota questionnaire were selected. The short questionnaire estimates energy expenditure in total PA and by intensity (light, moderate, vigorous), and includes 2 questions about sedentary behavior and a question about occupational PA. The short questionnaire showed high reliability, with intraclass correlation coefficients ranging between 0.79 to 0.95. The Spearman correlation coefficients between estimated energy expenditure obtained with the questionnaire and the number of steps detected by the accelerometer were as follows: 0.36 for total PA, 0.40 for moderate intensity, and 0.26 for vigorous intensity. The questionnaire was sensitive to detect changes in moderate and vigorous PA (correlation coefficients ranging from 0.26 to 0.34). Conclusion The REGICOR short questionnaire is reliable, valid, and sensitive to detect changes in moderate and vigorous PA. This questionnaire could be used in daily clinical practice and epidemiological studies. PMID:28085886

Estimation of the biserial correlation and its sampling variance for use in meta-analysis.

PubMed

Jacobs, Perke; Viechtbauer, Wolfgang

2017-06-01

Meta-analyses are often used to synthesize the findings of studies examining the correlational relationship between two continuous variables. When only dichotomous measurements are available for one of the two variables, the biserial correlation coefficient can be used to estimate the product-moment correlation between the two underlying continuous variables. Unlike the point-biserial correlation coefficient, biserial correlation coefficients can therefore be integrated with product-moment correlation coefficients in the same meta-analysis. The present article describes the estimation of the biserial correlation coefficient for meta-analytic purposes and reports simulation results comparing different methods for estimating the coefficient's sampling variance. The findings indicate that commonly employed methods yield inconsistent estimates of the sampling variance across a broad range of research situations. In contrast, consistent estimates can be obtained using two methods that appear to be unknown in the meta-analytic literature. A variance-stabilizing transformation for the biserial correlation coefficient is described that allows for the construction of confidence intervals for individual coefficients with close to nominal coverage probabilities in most of the examined conditions. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Analysis of charge transport in gels containing polyoxometallates using methods of different sensitivity to migration.

PubMed

Caban, Karolina; Lewera, Adam; Zukowska, Grazyna Z; Kulesza, Pawel J; Stojek, Zbigniew; Jeffrey, Kenneth R

2006-08-04

Two methods have been used for examination of transport of charge in gels soaked with DMF and containing dissolved polyoxometallates. The first method is based on the analysis of both Cottrellian and steady-state currents and therefore is capable of giving the concentration of the electroactive redox centres and their transport (diffusion-type) coefficient. The second method provides the real diffusion coefficients, i.e. transport coefficients free of migrational influence, for both the substrate and the product of the electrode reaction. Several gels based on poly(methyl methacrylate), with charged (addition of 1-acrylamido-2-methyl-2-propanesulphonic acid to the polymerization mixture) and uncharged chains, have been used in the investigation. The ratio obtained for the diffusion coefficient (second method) and transport coefficient (first method) was smaller for the gels containing charged polymer chains than for the gels with uncharged chains. In part these changes could be explained by the contribution of migration to the transport of polyoxomatallates in the gels. However, the impact of the changes in the polymer-channel capacity at the electrode surface while the electrode process proceeds was also considered. These structural changes should affect differently the methods based on different time domains.

Simplified methods for calculating photodissociation rates

NASA Technical Reports Server (NTRS)

Shimazaki, T.; Ogawa, T.; Farrell, B. C.

1977-01-01

Simplified methods for calculating the transmission of solar UV radiation and the dissociation coefficients of various molecules are compared. A significant difference sometimes appears in calculations of the individual band, but the total transmission and the total dissociation coefficients integrated over the entire SR (solar radiation) band region agree well between the methods. The ambiguities in the solar flux data affect the calculated dissociation coefficients more strongly than does the method. A simpler method is developed for the purpose of reducing the computation time and computer memory size necessary for storing coefficients of the equations. The new method can reduce the computation time by a factor of more than 3 and the memory size by a factor of more than 50 compared with the Hudson-Mahle method, and yet the result agrees within 10 percent (in most cases much less) with the original Hudson-Mahle results, except for H2O and CO2. A revised method is necessary for these two molecules, whose absorption cross sections change very rapidly over the SR band spectral range.

Partial F-tests with multiply imputed data in the linear regression framework via coefficient of determination.

PubMed

Chaurasia, Ashok; Harel, Ofer

2015-02-10

Tests for regression coefficients such as global, local, and partial F-tests are common in applied research. In the framework of multiple imputation, there are several papers addressing tests for regression coefficients. However, for simultaneous hypothesis testing, the existing methods are computationally intensive because they involve calculation with vectors and (inversion of) matrices. In this paper, we propose a simple method based on the scalar entity, coefficient of determination, to perform (global, local, and partial) F-tests with multiply imputed data. The proposed method is evaluated using simulated data and applied to suicide prevention data. Copyright © 2014 John Wiley & Sons, Ltd.

Analytical validation of bovine plasma ceruloplasmin measurement by p-phenylenediamine oxidation and effect of storage time and freezing temperature.

PubMed

Hussein, Hussein Awad; Staufenbiel, Rudolf

2017-10-04

Determination of ceruloplasmin (Cp) activity in plasma can provide an objective measure of the health of dairy cows as well as it can be used for various diagnostic purposes. The current study was designed to perform an analytical validation of a method for the determination of plasma Cp activity in dairy cows and to evaluate the influences of plasma storage times and temperatures as well as freeze-thaw cycles on the activity of this enzyme. This cohort was carried out on ten cows. For each cow, 24 aliquots of plasma, which were stored at different temperature regimes, were prepared. Both intra- and interassay coefficients of variation (CVs) were determined. The linearity was evaluated using bovine plasma Cp standard. The mean values of intra- and interassay CVs were 1.08 and 2.12%, respectively. Results of linearity testing showed a high correlation coefficient (r = 0.998, P < 0.001). After 3 days of storage at room temperature and refrigeration, the plasma activity of Cp was significantly lowered (P < 0.05). Plasma samples kept at freezing for 3 months revealed insignificant changes in the activity of Cp. Repeated freeze-thaw cycles for three times had no significant influence on the activity of Cp. The method is easy and may be valid at values of Cp ranging from 100 to 1000 mg/L. It seems that keeping of plasma samples at room temperature and refrigeration longer than 3 days is unsuitable for Cp measurement. In addition, Cp remains stable in plasma samples stored at freezing as well as repeat freeze-thaw cycles.

The Adams formulas for numerical integration of differential equations from 1st to 20th order

NASA Technical Reports Server (NTRS)

Kirkpatrick, J. C.

1976-01-01

The Adams Bashforth predictor coefficients and the Adams Moulton corrector coefficients for the integration of differential equations are presented for methods of 1st to 20th order. The order of the method as presented refers to the highest order difference formula used in Newton's backward difference interpolation formula, on which the Adams method is based. The Adams method is a polynomial approximation method derived from Newton's backward difference interpolation formula. The Newton formula is derived and expanded to 20th order. The Adams predictor and corrector formulas are derived and expressed in terms of differences of the derivatives, as well as in terms of the derivatives themselves. All coefficients are given to 18 significant digits. For the difference formula only, the ratio coefficients are given to 10th order.

Estimating endogenous changes in task performance from EEG

PubMed Central

Touryan, Jon; Apker, Gregory; Lance, Brent J.; Kerick, Scott E.; Ries, Anthony J.; McDowell, Kaleb

2014-01-01

Brain wave activity is known to correlate with decrements in behavioral performance as individuals enter states of fatigue, boredom, or low alertness.Many BCI technologies are adversely affected by these changes in user state, limiting their application and constraining their use to relatively short temporal epochs where behavioral performance is likely to be stable. Incorporating a passive BCI that detects when the user is performing poorly at a primary task, and adapts accordingly may prove to increase overall user performance. Here, we explore the potential for extending an established method to generate continuous estimates of behavioral performance from ongoing neural activity; evaluating the extended method by applying it to the original task domain, simulated driving; and generalizing the method by applying it to a BCI-relevant perceptual discrimination task. Specifically, we used EEG log power spectra and sequential forward floating selection (SFFS) to estimate endogenous changes in behavior in both a simulated driving task and a perceptual discrimination task. For the driving task the average correlation coefficient between the actual and estimated lane deviation was 0.37 ± 0.22 (μ ± σ). For the perceptual discrimination task we generated estimates of accuracy, reaction time, and button press duration for each participant. The correlation coefficients between the actual and estimated behavior were similar for these three metrics (accuracy = 0.25 ± 0.37, reaction time = 0.33 ± 0.23, button press duration = 0.36 ± 0.30). These findings illustrate the potential for modeling time-on-task decrements in performance from concurrent measures of neural activity. PMID:24994968

Chromatographic and spectroscopic methods for the determination of solvent properties of room temperature ionic liquids.

PubMed

Poole, Colin F

2004-05-28

Room temperature ionic liquids are novel solvents with favorable environmental and technical features. Synthetic routes to over 200 room temperature ionic liquids are known but for most ionic liquids physicochemical data are generally lacking or incomplete. Chromatographic and spectroscopic methods afford suitable tools for the study of solvation properties under conditions that approximate infinite dilution. Gas-liquid chromatography is suitable for the determination of gas-liquid partition coefficients and activity coefficients as well as thermodynamic constants derived from either of these parameters and their variation with temperature. The solvation parameter model can be used to define the contribution from individual intermolecular interactions to the gas-liquid partition coefficient. Application of chemometric procedures to a large database of system constants for ionic liquids indicates their unique solvent properties: low cohesion for ionic liquids with weakly associated ions compared with non-ionic liquids of similar polarity; greater hydrogen-bond basicity than typical polar non-ionic solvents; and a range of dipolarity/polarizability that encompasses the same range as occupied by the most polar non-ionic liquids. These properties can be crudely related to ion structures but further work is required to develop a comprehensive approach for the design of ionic liquids for specific applications. Data for liquid-liquid partition coefficients is scarce by comparison with gas-liquid partition coefficients. Preliminary studies indicate the possibility of using the solvation parameter model for interpretation of liquid-liquid partition coefficients determined by shake-flask procedures as well as the feasibility of using liquid-liquid chromatography for the convenient and rapid determination of liquid-liquid partition coefficients. Spectroscopic measurements of solvatochromic and fluorescent probe molecules in room temperature ionic liquids provide insights into solvent intermolecular interactions although interpretation of the different and generally uncorrelated "polarity" scales is sometimes ambiguous. All evidence points to the ionic liquids as a unique class of polar solvents suitable for technical development. In terms of designer solvents, however, further work is needed to fill the gaps in our knowledge of the relationship between ion structures and physicochemical properties.

The psychometric properties of exercise benefits/barriers scale among women

PubMed Central

Farahani, Leila Amiri; Parvizy, Soroor; Mohammadi, Eesa; Asadi-Lari, Mohsen; Kazemnejad, Anoshiravan; Hasanpoor-Azgahdy, Seyede Batool; Taghizadeh, Ziba

2017-01-01

Background and objective Despite the numerous health benefits of regular physical activity (PA), physical inactivity is a major health issue among women. The goal of the current study was to measure the validity and reliability assessment of the exercise benefits/barriers scale among women between the ages of 18 and 65 years. This study was carried out among women residing in Khoramroudi neighborhood in Tehran between December 2013 and February 2014. Methods In this descriptive, methodological study, 278 women residing in Khoramroudi neighborhood in Tehran between December 2013 and February 2014 completed three questionnaires: the demographic data form, the Exercise Benefits/Barriers Scale. The construct validity, internal consistency, and stability of the study were measured by confirmatory factor analyses, Cronbach’s alpha, and Spearman Brown correlation coefficient by using SPSS 21 and LISREL 8.80, respectively. Results The confirmatory factor analysis showed the Persian version of EBBS was structured well. The Cronbach’s alpha coefficients for the total scale and its subscales were 0.927, 0.94 and 0.82, respectively. Spearman Brown correlation coefficient also showed good test-retest reliability. Conclusion The results of this study verified the reliability and validity of the applied instrument and introduced it as a tool to measure the benefits and barriers of physical activity among Iranian women. PMID:28894535

School related factors and 1yr change in physical activity amongst 9-11 year old English schoolchildren.

PubMed

Mantjes, Joyce A; Jones, Andrew P; Corder, Kirsten; Jones, Natalia R; Harrison, Flo; Griffin, Simon J; van Sluijs, Esther M F

2012-12-31

Activity levels are known to decline with age and there is growing evidence of associations between the school environment and physical activity. In this study we investigated how objectively measured one-year changes in physical activity may be associated with school-related factors in 9- to 10-year-old British children. Data were analysed from 839 children attending 89 schools in the SPEEDY (Sport, Physical Activity, and Eating behaviours: Environmental Determinants in Young People) study. Outcomes variables were one year changes in objectively measured sedentary, moderate, and vigorous physical activity, with baseline measures taken when the children were 9-10 years old. School characteristics hypothesised to be associated with change in physical activity were identified from questionnaires, grounds audits, and computer mapping. Associations were examined using simple and multivariable multilevel regression models for both school (9 am - 3 pm) and travel (8-9 am and 3-4 pm) time. Significant associations during school time included the length of the morning break which was found to be supportive of moderate (β coefficient: 0.68 [p: 0.003]) and vigorous (β coefficient: 0.52 [p: 0.002]) activities and helps to prevent adverse changes in sedentary time (β coefficient: -2.52 [p: 0.001]). During travel time, positive associations were found between the presence of safe places to cross roads around the school and changes in moderate (β coefficient: 0.83 [p:0.022]) and vigorous (β coefficient: 0.56 [p:0.001]) activity, as well as sedentary time (β coefficient: -1.61 [p:0.005]). This study suggests that having longer morning school breaks and providing road safety features such as cycling infrastructure, a crossing guard, and safe places for children to cross the road may have a role to play in supporting the maintenance of moderate and vigorous activity behaviours, and preventing the development of sedentary behaviours in children.

QSPR models for predicting generator-column-derived octanol/water and octanol/air partition coefficients of polychlorinated biphenyls.

PubMed

Yuan, Jintao; Yu, Shuling; Zhang, Ting; Yuan, Xuejie; Cao, Yunyuan; Yu, Xingchen; Yang, Xuan; Yao, Wu

2016-06-01

Octanol/water (K(OW)) and octanol/air (K(OA)) partition coefficients are two important physicochemical properties of organic substances. In current practice, K(OW) and K(OA) values of some polychlorinated biphenyls (PCBs) are measured using generator column method. Quantitative structure-property relationship (QSPR) models can serve as a valuable alternative method of replacing or reducing experimental steps in the determination of K(OW) and K(OA). In this paper, two different methods, i.e., multiple linear regression based on dragon descriptors and hologram quantitative structure-activity relationship, were used to predict generator-column-derived log K(OW) and log K(OA) values of PCBs. The predictive ability of the developed models was validated using a test set, and the performances of all generated models were compared with those of three previously reported models. All results indicated that the proposed models were robust and satisfactory and can thus be used as alternative models for the rapid assessment of the K(OW) and K(OA) of PCBs. Copyright © 2016 Elsevier Inc. All rights reserved.

Electrochemical Behavior of Sulfur in Aqueous Alkaline Solutions

NASA Astrophysics Data System (ADS)

Mamyrbekova, Aigul; Mamitova, A. D.; Mamyrbekova, Aizhan

2018-03-01

The kinetics and mechanism of the electrode oxidation-reduction of sulfur on an electrically conductive sulfur-graphite electrode in an alkaline solution was studied by the potentiodynamic method. To examine the mechanism of electrode processes occurring during AC polarization on a sulfur-graphite electrode, the cyclic polarization in both directions and anodic polarization curves were recorded. The kinetic parameters: charge transfer coefficients (α), diffusion coefficients ( D), heterogeneous rate constants of electrode process ( k s), and effective activation energies of the process ( E a) were calculated from the results of polarization measurements. An analysis of the results and calculated kinetic parameters of electrode processes showed that discharge ionization of sulfur in alkaline solutions occurs as a sequence of two stages and is a quasireversible process.

Inter- and Intrasubject Similarity of Muscle Synergies During Bench Press With Slow and Fast Velocity.

PubMed

Samani, Afshin; Kristiansen, Mathias

2018-01-01

We investigated the effect of low and high bar velocity on inter- and intrasubject similarity of muscle synergies during bench press. A total of 13 trained male subjects underwent two exercise conditions: a slow- and a fast-velocity bench press. Surface electromyography was recorded from 13 muscles, and muscle synergies were extracted using a nonnegative matrix factorization algorithm. The intrasubject similarity across conditions and intersubject similarity within conditions were computed for muscle synergy vectors and activation coefficients. Two muscle synergies were sufficient to describe the dataset variability. For the second synergy activation coefficient, the intersubject similarity within the fast-velocity condition was greater than the intrasubject similarity of the activation coefficient across the conditions. An opposite pattern was observed for the first muscle synergy vector. We concluded that the activation coefficients are robust within conditions, indicating a robust temporal pattern of muscular activity across individuals, but the muscle synergy vector seemed to be individually assigned.

Detecting Pairwise Correlations in Spike Trains: An Objective Comparison of Methods and Application to the Study of Retinal Waves

PubMed Central

Eglen, Stephen J.

2014-01-01

Correlations in neuronal spike times are thought to be key to processing in many neural systems. Many measures have been proposed to summarize these correlations and of these the correlation index is widely used and is the standard in studies of spontaneous retinal activity. We show that this measure has two undesirable properties: it is unbounded above and confounded by firing rate. We list properties needed for a measure to fairly quantify and compare correlations and we propose a novel measure of correlation—the spike time tiling coefficient. This coefficient, the correlation index, and 33 other measures of correlation of spike times are blindly tested for the required properties on synthetic and experimental data. Based on this, we propose a measure (the spike time tiling coefficient) to replace the correlation index. To demonstrate the benefits of this measure, we reanalyze data from seven key studies, which previously used the correlation index to investigate the nature of spontaneous activity. We reanalyze data from β2(KO) and β2(TG) mutants, mutants lacking connexin isoforms, and also the age-dependent changes in wild-type and β2(KO) correlations. Reanalysis of the data using the proposed measure can significantly change the conclusions. It leads to better quantification of correlations and therefore better inference from the data. We hope that the proposed measure will have wide applications, and will help clarify the role of activity in retinotopic map formation. PMID:25339742

Insight into the Structural Determinants of Imidazole Scaffold-Based Derivatives as TNF-α Release Inhibitors by in Silico Explorations

PubMed Central

Wang, Yuan; Wu, Mingwei; Ai, Chunzhi; Wang, Yonghua

2015-01-01

Presently, 151 widely-diverse pyridinylimidazole-based compounds that show inhibitory activities at the TNF-α release were investigated. By using the distance comparison technique (DISCOtech), comparative molecular field analysis (CoMFA), and comparative molecular similarity index analysis (CoMSIA) methods, the pharmacophore models and the three-dimensional quantitative structure-activity relationships (3D-QSAR) of the compounds were explored. The proposed pharmacophore model, including two hydrophobic sites, two aromatic centers, two H-bond donor atoms, two H-bond acceptor atoms, and two H-bond donor sites characterizes the necessary structural features of TNF-α release inhibitors. Both the resultant CoMFA and CoMSIA models exhibited satisfactory predictability (with Q2 (cross-validated correlation coefficient) = 0.557, R2ncv (non-cross-validated correlation coefficient) = 0.740, R2pre (predicted correlation coefficient) = 0.749 and Q2 = 0.598, R2ncv = 0.767, R2pre = 0.860, respectively). Good consistency was observed between the 3D-QSAR models and the pharmacophore model that the hydrophobic interaction and hydrogen bonds play crucial roles in the mechanism of actions. The corresponding contour maps generated by these models provide more diverse information about the key intermolecular interactions of inhibitors with the surrounding environment. All these models have extended the understanding of imidazole-based compounds in the structure-activity relationship, and are useful for rational design and screening of novel 2-thioimidazole-based TNF-α release inhibitors. PMID:26307982

Insight into the Structural Determinants of Imidazole Scaffold-Based Derivatives as TNF-α Release Inhibitors by in Silico Explorations.

PubMed

Wang, Yuan; Wu, Mingwei; Ai, Chunzhi; Wang, Yonghua

2015-08-25

Presently, 151 widely-diverse pyridinylimidazole-based compounds that show inhibitory activities at the TNF-α release were investigated. By using the distance comparison technique (DISCOtech), comparative molecular field analysis (CoMFA), and comparative molecular similarity index analysis (CoMSIA) methods, the pharmacophore models and the three-dimensional quantitative structure-activity relationships (3D-QSAR) of the compounds were explored. The proposed pharmacophore model, including two hydrophobic sites, two aromatic centers, two H-bond donor atoms, two H-bond acceptor atoms, and two H-bond donor sites characterizes the necessary structural features of TNF-α release inhibitors. Both the resultant CoMFA and CoMSIA models exhibited satisfactory predictability (with Q(2) (cross-validated correlation coefficient) = 0.557, R(2)ncv (non-cross-validated correlation coefficient) = 0.740, R(2)pre (predicted correlation coefficient) = 0.749 and Q(2) = 0.598, R(2)ncv = 0.767, R(2)pre = 0.860, respectively). Good consistency was observed between the 3D-QSAR models and the pharmacophore model that the hydrophobic interaction and hydrogen bonds play crucial roles in the mechanism of actions. The corresponding contour maps generated by these models provide more diverse information about the key intermolecular interactions of inhibitors with the surrounding environment. All these models have extended the understanding of imidazole-based compounds in the structure-activity relationship, and are useful for rational design and screening of novel 2-thioimidazole-based TNF-α release inhibitors.

Backscattering and absorption coefficients for electrons: Solutions of invariant embedding transport equations using a method of convergence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Figueroa, C.; Brizuela, H.; Heluani, S. P.

2014-05-21

The backscattering coefficient is a magnitude whose measurement is fundamental for the characterization of materials with techniques that make use of particle beams and particularly when performing microanalysis. In this work, we report the results of an analytic method to calculate the backscattering and absorption coefficients of electrons in similar conditions to those of electron probe microanalysis. Starting on a five level states ladder model in 3D, we deduced a set of integro-differential coupled equations of the coefficients with a method know as invariant embedding. By means of a procedure proposed by authors, called method of convergence, two types ofmore » approximate solutions for the set of equations, namely complete and simple solutions, can be obtained. Although the simple solutions were initially proposed as auxiliary forms to solve higher rank equations, they turned out to be also useful for the estimation of the aforementioned coefficients. In previous reports, we have presented results obtained with the complete solutions. In this paper, we present results obtained with the simple solutions of the coefficients, which exhibit a good degree of fit with the experimental data. Both the model and the calculation method presented here can be generalized to other techniques that make use of different sorts of particle beams.« less

Estimating varying coefficients for partial differential equation models.

PubMed

Zhang, Xinyu; Cao, Jiguo; Carroll, Raymond J

2017-09-01

Partial differential equations (PDEs) are used to model complex dynamical systems in multiple dimensions, and their parameters often have important scientific interpretations. In some applications, PDE parameters are not constant but can change depending on the values of covariates, a feature that we call varying coefficients. We propose a parameter cascading method to estimate varying coefficients in PDE models from noisy data. Our estimates of the varying coefficients are shown to be consistent and asymptotically normally distributed. The performance of our method is evaluated by a simulation study and by an empirical study estimating three varying coefficients in a PDE model arising from LIDAR data. © 2017, The International Biometric Society.

Variance approach for multi-objective linear programming with fuzzy random of objective function coefficients

NASA Astrophysics Data System (ADS)

Indarsih, Indrati, Ch. Rini

2016-02-01

In this paper, we define variance of the fuzzy random variables through alpha level. We have a theorem that can be used to know that the variance of fuzzy random variables is a fuzzy number. We have a multi-objective linear programming (MOLP) with fuzzy random of objective function coefficients. We will solve the problem by variance approach. The approach transform the MOLP with fuzzy random of objective function coefficients into MOLP with fuzzy of objective function coefficients. By weighted methods, we have linear programming with fuzzy coefficients and we solve by simplex method for fuzzy linear programming.

Diffusion and solubility coefficients determined by permeation and immersion experiments for organic solvents in HDPE geomembrane.

PubMed

Chao, Keh-Ping; Wang, Ping; Wang, Ya-Ting

2007-04-02

The chemical resistance of eight organic solvents in high density polyethylene (HDPE) geomembrane has been investigated using the ASTM F739 permeation method and the immersion test at different temperatures. The diffusion of the experimental organic solvents in HDPE geomembrane was non-Fickian kinetic, and the solubility coefficients can be consistent with the solubility parameter theory. The diffusion coefficients and solubility coefficients determined by the ASTM F739 method were significantly correlated to the immersion tests (p<0.001). The steady state permeation rates also showed a good agreement between ASTM F739 and immersion experiments (r(2)=0.973, p<0.001). Using a one-dimensional diffusion equation based on Fick's second law, the diffusion and solubility coefficients obtained by immersion test resulted in over estimates of the ASTM F739 permeation results. The modeling results indicated that the diffusion and solubility coefficients should be obtained using ASTM F739 method which closely simulates the practical application of HDPE as barriers in the field.

An efficient deterministic-probabilistic approach to modeling regional groundwater flow: 1. Theory

USGS Publications Warehouse

Yen, Chung-Cheng; Guymon, Gary L.

1990-01-01

An efficient probabilistic model is developed and cascaded with a deterministic model for predicting water table elevations in regional aquifers. The objective is to quantify model uncertainty where precise estimates of water table elevations may be required. The probabilistic model is based on the two-point probability method which only requires prior knowledge of uncertain variables mean and coefficient of variation. The two-point estimate method is theoretically developed and compared with the Monte Carlo simulation method. The results of comparisons using hypothetical determinisitic problems indicate that the two-point estimate method is only generally valid for linear problems where the coefficients of variation of uncertain parameters (for example, storage coefficient and hydraulic conductivity) is small. The two-point estimate method may be applied to slightly nonlinear problems with good results, provided coefficients of variation are small. In such cases, the two-point estimate method is much more efficient than the Monte Carlo method provided the number of uncertain variables is less than eight.

An Efficient Deterministic-Probabilistic Approach to Modeling Regional Groundwater Flow: 1. Theory

NASA Astrophysics Data System (ADS)

Yen, Chung-Cheng; Guymon, Gary L.

1990-07-01

An efficient probabilistic model is developed and cascaded with a deterministic model for predicting water table elevations in regional aquifers. The objective is to quantify model uncertainty where precise estimates of water table elevations may be required. The probabilistic model is based on the two-point probability method which only requires prior knowledge of uncertain variables mean and coefficient of variation. The two-point estimate method is theoretically developed and compared with the Monte Carlo simulation method. The results of comparisons using hypothetical determinisitic problems indicate that the two-point estimate method is only generally valid for linear problems where the coefficients of variation of uncertain parameters (for example, storage coefficient and hydraulic conductivity) is small. The two-point estimate method may be applied to slightly nonlinear problems with good results, provided coefficients of variation are small. In such cases, the two-point estimate method is much more efficient than the Monte Carlo method provided the number of uncertain variables is less than eight.

The response of the temperature of cold-point mesopause to solar activity based on SABER data set

NASA Astrophysics Data System (ADS)

Tang, Chaoli; Liu, Dong; Wei, Heli; Wang, Yingjian; Dai, Congming; Wu, Pengfei; Zhu, Wenyue; Rao, Ruizhong

2016-07-01

The thermal structure and energy balance of upper atmosphere are dominated by solar activity. The response of cold-point mesopause (CPM) to solar activity is an important form. This article presents the response of the temperature of CPM (T-CPM) to solar activity using 14 year Sounding of the Atmosphere using Broadband Emission Radiometry data series over 80°S-80°N regions. These regions are divided into 16 latitude zones with 10° interval, and the spatial areas of 80°S-80°N, 180°W-180°E are divided into 96 lattices with 10°(latitude) × 60°(longitude) grid. The annual-mean values of T-CPM and F10.7 are calculated. The least squares regression method and correlation analysis are applied to these annual-mean series. First, the results show that the global T-CPM is significantly correlated to solar activity at the 0.05 level of significance with correlation coefficient of 0.90. The global solar response of T-CPM is 4.89 ± 0.67 K/100 solar flux unit. Then, for each latitude zone, the solar response of T-CPM and its fluctuation are obtained. The solar response of T-CPM becomes stronger with increasing latitude. The fluctuation ranges of solar response at middle-latitude regions are smaller than those of the equator and high-latitude regions, and the global distribution takes on W shape. The corelationship analysis shows that the T-CPM is significantly correlated to solar activity at the 0.05 level of significance for each latitude zone. The correlation coefficients at middle-latitude regions are higher than those of the equator and high-latitude regions, and the global distribution takes on M shape. At last, for each grid cell, the response of T-CPM to solar activity and their correlation coefficient are presented.

The Unilateral Below Elbow Test: a function test for children with unilateral congenital below elbow deficiency.

PubMed

Bagley, Anita M; Molitor, Fred; Wagner, Lisa V; Tomhave, Wendy; James, Michelle A

2006-07-01

The Unilateral Below Elbow Test (UBET) was developed to evaluate function in bimanual activities for both the prosthesis wearer and non-wearer. Nine tasks were chosen for each of four age-specific categories defined by development stages of hand function (2-4y, 5-7y, 8-10y, and 11-21y). Two scales, Completion of Task and Method of Use, were designed to rate performance. To measure reliability, four occupational therapists scored samples of videotaped UBET performances. For Completion of Task, an interval scale, agreement in scoring was measured with interclass correlation coefficients (ICC; n=9; five females, four males). For Method of Use, a nominal scale, chance-adjusted association was calculated with Cohen's kappa coefficients (interobserver n=198; 111 females, 87 males; intraobserver n=93; 56 females, 37 males). For Completion of Task, the average ICC was 0.87 for the prosthesis-on condition, and 0.85 for the prosthesis-off condition. ICCs exceeded 0.80 for eight out of nine tasks for the two older age groups, but for only five out of nine tasks in the younger age groups. Higher inter- and intraobserver kappa coefficients for Method of Use resulted when scoring children with their prostheses on versus off. The oldest age group had lower kappa values than the other three groups. The UBET is recommended for the functional evaluation of Completion of Task in children with unilateral congenital below elbow deficiency with and without their prostheses. Method of Use scoring can evaluate individuals for directed therapy interventions or prosthetic training.

Development and Validation of a New Fallout Transport Method Using Variable Spectral Winds

NASA Astrophysics Data System (ADS)

Hopkins, Arthur Thomas

A new method has been developed to incorporate variable winds into fallout transport calculations. The method uses spectral coefficients derived by the National Meteorological Center. Wind vector components are computed with the coefficients along the trajectories of falling particles. Spectral winds are used in the two-step method to compute dose rate on the ground, downwind of a nuclear cloud. First, the hotline is located by computing trajectories of particles from an initial, stabilized cloud, through spectral winds, to the ground. The connection of particle landing points is the hotline. Second, dose rate on and around the hotline is computed by analytically smearing the falling cloud's activity along the ground. The feasibility of using specgtral winds for fallout particle transport was validated by computing Mount St. Helens ashfall locations and comparing calculations to fallout data. In addition, an ashfall equation was derived for computing volcanic ash mass/area on the ground. Ashfall data and the ashfall equation were used to back-calculate an aggregated particle size distribution for the Mount St. Helens eruption cloud. Further validation was performed by comparing computed and actual trajectories of a high explosive dust cloud (DIRECT COURSE). Using an error propagation formula, it was determined that uncertainties in spectral wind components produce less than four percent of the total dose rate variance. In summary, this research demonstrated the feasibility of using spectral coefficients for fallout transport calculations, developed a two-step smearing model to treat variable winds, and showed that uncertainties in spectral winds do not contribute significantly to the error in computed dose rate.

Non-parametric wall model and methods of identifying boundary conditions for moments in gas flow equations

NASA Astrophysics Data System (ADS)

Liao, Meng; To, Quy-Dong; Léonard, Céline; Monchiet, Vincent

2018-03-01

In this paper, we use the molecular dynamics simulation method to study gas-wall boundary conditions. Discrete scattering information of gas molecules at the wall surface is obtained from collision simulations. The collision data can be used to identify the accommodation coefficients for parametric wall models such as Maxwell and Cercignani-Lampis scattering kernels. Since these scattering kernels are based on a limited number of accommodation coefficients, we adopt non-parametric statistical methods to construct the kernel to overcome these issues. Different from parametric kernels, the non-parametric kernels require no parameter (i.e. accommodation coefficients) and no predefined distribution. We also propose approaches to derive directly the Navier friction and Kapitza thermal resistance coefficients as well as other interface coefficients associated with moment equations from the non-parametric kernels. The methods are applied successfully to systems composed of CH4 or CO2 and graphite, which are of interest to the petroleum industry.

A method for determination mass absorption coefficient of gamma rays by Compton scattering.

PubMed

El Abd, A

2014-12-01

A method was proposed for determination mass absorption coefficient of gamma rays for compounds, alloys and mixtures. It is based on simulating interaction processes of gamma rays with target elements having atomic numbers from Z=1 to Z=92 using the MCSHAPE software. Intensities of Compton scattered gamma rays at saturation thicknesses and at a scattering angle of 90° were calculated for incident gamma rays of different energies. The obtained results showed that the intensity of Compton scattered gamma rays at saturations and mass absorption coefficients can be described by mathematical formulas. These were used to determine mass absorption coefficients for compound, alloys and mixtures with the knowledge of their Compton scattered intensities. The method was tested by calculating mass absorption coefficients for some compounds, alloys and mixtures. There is a good agreement between obtained results and calculated ones using WinXom software. The advantages and limitations of the method were discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.

A novel multiple headspace extraction gas chromatographic method for measuring the diffusion coefficient of methanol in water and in olive oil.

PubMed

Zhang, Chun-Yun; Chai, Xin-Sheng

2015-03-13

A novel method for the determination of the diffusion coefficient (D) of methanol in water and olive oil has been developed. Based on multiple headspace extraction gas chromatography (MHE-GC), the methanol released from the liquid sample of interest in a closed sample vial was determined in a stepwise fashion. A theoretical model was derived to establish the relationship between the diffusion coefficient and the GC signals from MHE-GC measurements. The results showed that the present method has an excellent precision (RSD<1%) in the linear fitting procedure and good accuracy for the diffusion coefficients of methanol in both water and olive oil, when compared with data reported in the literature. The present method is simple and practical and can be a valuable tool for the determination of the diffusion coefficient of volatile analyte(s) into food simulants from food and beverage packaging material, both in research studies and in actual applications. Copyright © 2015 Elsevier B.V. All rights reserved.

On the methods for determining the transverse dispersion coefficient in river mixing

NASA Astrophysics Data System (ADS)

Baek, Kyong Oh; Seo, Il Won

2016-04-01

In this study, the strengths and weaknesses of existing methods for determining the dispersion coefficient in the two-dimensional river mixing model were assessed based on hydraulic and tracer data sets acquired from experiments conducted on either laboratory channels or natural rivers. From the results of this study, it can be concluded that, when the longitudinal dispersion coefficient as well as the transverse dispersion coefficients must be determined in the transient concentration situation, the two-dimensional routing procedures, 2D RP and 2D STRP, can be employed to calculate dispersion coefficients among the observation methods. For the steady concentration situation, the STRP can be applied to calculate the transverse dispersion coefficient. When the tracer data are not available, either theoretical or empirical equations by the estimation method can be used to calculate the dispersion coefficient using the geometric and hydraulic data sets. Application of the theoretical and empirical equations to the laboratory channel showed that equations by Baek and Seo [[3], 2011] predicted reasonable values while equations by Fischer [23] and Boxwall and Guymer (2003) overestimated by factors of ten to one hundred. Among existing empirical equations, those by Jeon et al. [28] and Baek and Seo [6] gave the agreeable values of the transverse dispersion coefficient for most cases of natural rivers. Further, the theoretical equation by Baek and Seo [5] has the potential to be broadly applied to both laboratory and natural channels.

Distance correlation methods for discovering associations in large astrophysical databases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martínez-Gómez, Elizabeth; Richards, Mercedes T.; Richards, Donald St. P., E-mail: elizabeth.martinez@itam.mx, E-mail: mrichards@astro.psu.edu, E-mail: richards@stat.psu.edu

2014-01-20

High-dimensional, large-sample astrophysical databases of galaxy clusters, such as the Chandra Deep Field South COMBO-17 database, provide measurements on many variables for thousands of galaxies and a range of redshifts. Current understanding of galaxy formation and evolution rests sensitively on relationships between different astrophysical variables; hence an ability to detect and verify associations or correlations between variables is important in astrophysical research. In this paper, we apply a recently defined statistical measure called the distance correlation coefficient, which can be used to identify new associations and correlations between astrophysical variables. The distance correlation coefficient applies to variables of any dimension,more » can be used to determine smaller sets of variables that provide equivalent astrophysical information, is zero only when variables are independent, and is capable of detecting nonlinear associations that are undetectable by the classical Pearson correlation coefficient. Hence, the distance correlation coefficient provides more information than the Pearson coefficient. We analyze numerous pairs of variables in the COMBO-17 database with the distance correlation method and with the maximal information coefficient. We show that the Pearson coefficient can be estimated with higher accuracy from the corresponding distance correlation coefficient than from the maximal information coefficient. For given values of the Pearson coefficient, the distance correlation method has a greater ability than the maximal information coefficient to resolve astrophysical data into highly concentrated horseshoe- or V-shapes, which enhances classification and pattern identification. These results are observed over a range of redshifts beyond the local universe and for galaxies from elliptical to spiral.« less

Intra-retinal segmentation of optical coherence tomography images using active contours with a dynamic programming initialization and an adaptive weighting strategy

NASA Astrophysics Data System (ADS)

Gholami, Peyman; Roy, Priyanka; Kuppuswamy Parthasarathy, Mohana; Ommani, Abbas; Zelek, John; Lakshminarayanan, Vasudevan

2018-02-01

Retinal layer shape and thickness are one of the main indicators in the diagnosis of ocular diseases. We present an active contour approach to localize intra-retinal boundaries of eight retinal layers from OCT images. The initial locations of the active contour curves are determined using a Viterbi dynamic programming method. The main energy function is a Chan-Vese active contour model without edges. A boundary term is added to the energy function using an adaptive weighting method to help curves converge to the retinal layer edges more precisely, after evolving of curves towards boundaries, in final iterations. A wavelet-based denoising method is used to remove speckle from OCT images while preserving important details and edges. The performance of the proposed method was tested on a set of healthy and diseased eye SD-OCT images. The experimental results, compared between the proposed method and the manual segmentation, which was determined by an optometrist, indicate that our method has obtained an average of 95.29%, 92.78%, 95.86%, 87.93%, 82.67%, and 90.25% respectively, for accuracy, sensitivity, specificity, precision, Jaccard Index, and Dice Similarity Coefficient over all segmented layers. These results justify the robustness of the proposed method in determining the location of different retinal layers.

Influences of the chemical structure of entrainers on the activity coefficients in presence of biodiesel

NASA Astrophysics Data System (ADS)

Mäder, A.; Fleischmann, A.; Fang, Ye; Ruck, W.; Krahl, J.

2012-05-01

In this work we analyzed the strength of the intermolecular forces between biodiesel and the entrainer and their influence on the entrainer's ability to interact with biodiesel. Furthermore we investigated the influence of the chemical structure of an entrainer to the interaction with biodiesel. For this purpose the activity coefficients γ∞ at infinite dilution of acids, aldehydes, ketones and alcohols in biodiesel were measured with the method of headspace gas chromatography (HSGC). Short-chained acids showed the highest interaction of the analyzed entrainers caused by their ability to build hydrogen bonds with biodiesel. Increased chain length of the acids cause reduced interaction with biodiesel, which is mainly due to the higher obstruction of the acid molecule and therefore the reduced ability to build hydrogen bonds with biodiesel. Aldehydes, ketones and alcohols showed lower interaction with biodiesel compared to the acids. Longer-chained alcohols showed increased interaction with biodiesel due to the raised London Forces and an inductive +I effect of the molecule chain.

Resolved shear stress intensity coefficient and fatigue crack growth in large crystals

NASA Technical Reports Server (NTRS)

Chen, Q.; Liu, H. W.

1988-01-01

Fatigue crack growth tests were carried out on large-grain Al 7029 aluminum alloy and the finite element method was used to calculate the stress field near the tip of a zigzag crack. The resolved shear stresses on all 12 slip systems were computed, and the resolved shear stress intensity coefficient (RSSIC) was defined. The RSSIC was used to analyze the irregular crack path and was correlated with the rate of single-slip-plane shear crack growth. Fatigue crack growth was found to be caused primarily by shear decohesion at a crack tip. When the RSSIC on a single-slip system was much larger than all the others, the crack followed a single-slip plane. When the RSSICs on two conjugate slip systems were comparable, a crack grew in a zigzag manner on these planes and the macrocrack-plane bisected the two active slip planes. The maximum RSSIC on the most active slip system is proposed as a parameter to correlate with the shear fatigue crack growth rate in large crystals.

High-resolution global grids of revised Priestley-Taylor and Hargreaves-Samani coefficients for assessing ASCE-standardized reference crop evapotranspiration and solar radiation

NASA Astrophysics Data System (ADS)

Aschonitis, Vassilis G.; Papamichail, Dimitris; Demertzi, Kleoniki; Colombani, Nicolo; Mastrocicco, Micol; Ghirardini, Andrea; Castaldelli, Giuseppe; Fano, Elisa-Anna

2017-08-01

The objective of the study is to provide global grids (0.5°) of revised annual coefficients for the Priestley-Taylor (P-T) and Hargreaves-Samani (H-S) evapotranspiration methods after calibration based on the ASCE (American Society of Civil Engineers)-standardized Penman-Monteith method (the ASCE method includes two reference crops: short-clipped grass and tall alfalfa). The analysis also includes the development of a global grid of revised annual coefficients for solar radiation (Rs) estimations using the respective Rs formula of H-S. The analysis was based on global gridded climatic data of the period 1950-2000. The method for deriving annual coefficients of the P-T and H-S methods was based on partial weighted averages (PWAs) of their mean monthly values. This method estimates the annual values considering the amplitude of the parameter under investigation (ETo and Rs) giving more weight to the monthly coefficients of the months with higher ETo values (or Rs values for the case of the H-S radiation formula). The method also eliminates the effect of unreasonably high or low monthly coefficients that may occur during periods where ETo and Rs fall below a specific threshold. The new coefficients were validated based on data from 140 stations located in various climatic zones of the USA and Australia with expanded observations up to 2016. The validation procedure for ETo estimations of the short reference crop showed that the P-T and H-S methods with the new revised coefficients outperformed the standard methods reducing the estimated root mean square error (RMSE) in ETo values by 40 and 25 %, respectively. The estimations of Rs using the H-S formula with revised coefficients reduced the RMSE by 28 % in comparison to the standard H-S formula. Finally, a raster database was built consisting of (a) global maps for the mean monthly ETo values estimated by ASCE-standardized method for both reference crops, (b) global maps for the revised annual coefficients of the P-T and H-S evapotranspiration methods for both reference crops and a global map for the revised annual coefficient of the H-S radiation formula and (c) global maps that indicate the optimum locations for using the standard P-T and H-S methods and their possible annual errors based on reference values. The database can support estimations of ETo and solar radiation for locations where climatic data are limited and it can support studies which require such estimations on larger scales (e.g. country, continent, world). The datasets produced in this study are archived in the PANGAEA database (https://doi.org/10.1594/PANGAEA.868808) and in the ESRN database (http://www.esrn-database.org or http://esrn-database.weebly.com).

QSAR, docking and ADMET studies of artemisinin derivatives for antimalarial activity targeting plasmepsin II, a hemoglobin-degrading enzyme from P. falciparum.

PubMed

Qidwai, Tabish; Yadav, Dharmendra K; Khan, Feroz; Dhawan, Sangeeta; Bhakuni, R S

2012-01-01

This work presents the development of quantitative structure activity relationship (QSAR) model to predict the antimalarial activity of artemisinin derivatives. The structures of the molecules are represented by chemical descriptors that encode topological, geometric, and electronic structure features. Screening through QSAR model suggested that compounds A24, A24a, A53, A54, A62 and A64 possess significant antimalarial activity. Linear model is developed by the multiple linear regression method to link structures to their reported antimalarial activity. The correlation in terms of regression coefficient (r(2)) was 0.90 and prediction accuracy of model in terms of cross validation regression coefficient (rCV(2)) was 0.82. This study indicates that chemical properties viz., atom count (all atoms), connectivity index (order 1, standard), ring count (all rings), shape index (basic kappa, order 2), and solvent accessibility surface area are well correlated with antimalarial activity. The docking study showed high binding affinity of predicted active compounds against antimalarial target Plasmepsins (Plm-II). Further studies for oral bioavailability, ADMET and toxicity risk assessment suggest that compound A24, A24a, A53, A54, A62 and A64 exhibits marked antimalarial activity comparable to standard antimalarial drugs. Later one of the predicted active compound A64 was chemically synthesized, structure elucidated by NMR and in vivo tested in multidrug resistant strain of Plasmodium yoelii nigeriensis infected mice. The experimental results obtained agreed well with the predicted values.

Kinetics of dodecanoic acid adsorption from caustic solution by activated carbon.

PubMed

Pendleton, Phillip; Wu, Sophie Hua

2003-10-15

This study examines the influences of adsorbent porosity and surface chemistry and of carbon dosage on dodecanoic acid adsorption kinetics from aqueous and 2 M NaOH solutions as batch adsorption processes. Both adsorbents are steam-activated carbons prepared from either coconut or coal precursors. Prior to use the adsorbents were washed in deionized water or 2 M NaOH. Mass transfer coefficients and effective overall diffusion coefficients indicate a minor contribution from adsorbent porosity. In contrast, high surface oxygen content impedes transport to and into the adsorbent structure. Carbon dosage shows a proportional increase in transport coefficients with increasing mass; these coefficients are constant when normalized per unit mass. Neither water nor NaOH treatment of the adsorbents has a significant influence on dodecanoic acid adsorption kinetics. Molecular and Knudsen diffusion coefficients are defined to demonstrate that the overall effective diffusion coefficient values and the diffusion process are controlled by surface diffusion.

Slip and Slide Method of Factoring Trinomials with Integer Coefficients over the Integers

ERIC Educational Resources Information Center

Donnell, William A.

2012-01-01

In intermediate and college algebra courses there are a number of methods for factoring quadratic trinomials with integer coefficients over the integers. Some of these methods have been given names, such as trial and error, reversing FOIL, AC method, middle term splitting method and slip and slide method. The purpose of this article is to discuss…

Improved definition of crustal anomalies for Magsat data

NASA Technical Reports Server (NTRS)

1981-01-01

A scheme was developed for separating the portions of the magnetic field measured by the Magsat 1 satellite that arise from internal and external sources. To test this method, a set of sample coefficients were used to compute the field values along a simulated satellite orbit. This data was then used to try to recover the original coefficients. Matrix inversion and recursive least squares methods were used to solve for the input coefficients. The accuracy of the two methods are compared.

Note on coefficient matrices from stochastic Galerkin methods for random diffusion equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou Tao, E-mail: tzhou@lsec.cc.ac.c; Tang Tao, E-mail: ttang@hkbu.edu.h

2010-11-01

In a recent work by Xiu and Shen [D. Xiu, J. Shen, Efficient stochastic Galerkin methods for random diffusion equations, J. Comput. Phys. 228 (2009) 266-281], the Galerkin methods are used to solve stochastic diffusion equations in random media, where some properties for the coefficient matrix of the resulting system are provided. They also posed an open question on the properties of the coefficient matrix. In this work, we will provide some results related to the open question.

Use of the Teager-Kaiser Energy Operator for Muscle Activity Detection in Children

PubMed Central

Lauer, Richard T.; Prosser, Laura A.

2009-01-01

The purpose of this study was to demonstrate the usefulness of the Teager-Kaiser Energy (TKE) operator to assess surface electromyographic (sEMG) activity from the hip and trunk muscles during pediatric gait in children with and without cerebral palsy (CP). Muscle activity was recorded from the trapezius, erector spinae, rectus abdominus, external oblique, gluteus maximus and medius, rectus femoris, and semitendinosus bilaterally in ten children with typical development (TD) and five children with CP ages 44.4 ± 18.6 months. Duration of muscle activity was calculated as a percentage of the gait cycle, and compared to two common onset detection methods, a standard deviation (SD) amplitude threshold method, and the visual inspection from two raters (R1, R2). Relative and absolute agreement was determined using intraclass correlation coefficients (ICCs) and Bland-Altman plots. Of the two automated methods, the TKE method demonstrated better agreement with visual inspection (0.45–0.89) than the SD (0.11–0.76) method. The Bland-Altman plots indicated a smaller bias and 95% confidence interval for the TKE method in comparison to the raters (TKE to R1: −5, 113%; TKE to R2: 4, 95%; SD to R1: −24, 170%; SD to R2: −15, 151%). The use of the TKE operator may better detect sEMG activity in children than the standard amplitude method. PMID:19484385

Factor Scores, Structure Coefficients, and Communality Coefficients

ERIC Educational Resources Information Center

Goodwyn, Fara

2012-01-01

This paper presents heuristic explanations of factor scores, structure coefficients, and communality coefficients. Common misconceptions regarding these topics are clarified. In addition, (a) the regression (b) Bartlett, (c) Anderson-Rubin, and (d) Thompson methods for calculating factor scores are reviewed. Syntax necessary to execute all four…

Extending the Constant Coefficient Solution Technique to Variable Coefficient Ordinary Differential Equations

ERIC Educational Resources Information Center

Mohammed, Ahmed; Zeleke, Aklilu

2015-01-01

We introduce a class of second-order ordinary differential equations (ODEs) with variable coefficients whose closed-form solutions can be obtained by the same method used to solve ODEs with constant coefficients. General solutions for the homogeneous case are discussed.

CONTINUOUS-ENERGY MONTE CARLO METHODS FOR CALCULATING GENERALIZED RESPONSE SENSITIVITIES USING TSUNAMI-3D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perfetti, Christopher M; Rearden, Bradley T

2014-01-01

This work introduces a new approach for calculating sensitivity coefficients for generalized neutronic responses to nuclear data uncertainties using continuous-energy Monte Carlo methods. The approach presented in this paper, known as the GEAR-MC method, allows for the calculation of generalized sensitivity coefficients for multiple responses in a single Monte Carlo calculation with no nuclear data perturbations or knowledge of nuclear covariance data. The theory behind the GEAR-MC method is presented here, and proof of principle is demonstrated by using the GEAR-MC method to calculate sensitivity coefficients for responses in several 3D, continuous-energy Monte Carlo applications.

Comparison of Experimental Methods for Estimating Matrix Diffusion Coefficients for Contaminant Transport Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Telfeyan, Katherine Christina; Ware, Stuart Douglas; Reimus, Paul William

Diffusion cell and diffusion wafer experiments were conducted to compare methods for estimating matrix diffusion coefficients in rock core samples from Pahute Mesa at the Nevada Nuclear Security Site (NNSS). A diffusion wafer method, in which a solute diffuses out of a rock matrix that is pre-saturated with water containing the solute, is presented as a simpler alternative to the traditional through-diffusion (diffusion cell) method. Both methods yielded estimates of matrix diffusion coefficients that were within the range of values previously reported for NNSS volcanic rocks. The difference between the estimates of the two methods ranged from 14 to 30%,more » and there was no systematic high or low bias of one method relative to the other. From a transport modeling perspective, these differences are relatively minor when one considers that other variables (e.g., fracture apertures, fracture spacings) influence matrix diffusion to a greater degree and tend to have greater uncertainty than diffusion coefficients. For the same relative random errors in concentration measurements, the diffusion cell method yields diffusion coefficient estimates that have less uncertainty than the wafer method. However, the wafer method is easier and less costly to implement and yields estimates more quickly, thus allowing a greater number of samples to be analyzed for the same cost and time. Given the relatively good agreement between the methods, and the lack of any apparent bias between the methods, the diffusion wafer method appears to offer advantages over the diffusion cell method if better statistical representation of a given set of rock samples is desired.« less

Comparison of experimental methods for estimating matrix diffusion coefficients for contaminant transport modeling

NASA Astrophysics Data System (ADS)

Telfeyan, Katherine; Ware, S. Doug; Reimus, Paul W.; Birdsell, Kay H.

2018-02-01

Diffusion cell and diffusion wafer experiments were conducted to compare methods for estimating effective matrix diffusion coefficients in rock core samples from Pahute Mesa at the Nevada Nuclear Security Site (NNSS). A diffusion wafer method, in which a solute diffuses out of a rock matrix that is pre-saturated with water containing the solute, is presented as a simpler alternative to the traditional through-diffusion (diffusion cell) method. Both methods yielded estimates of effective matrix diffusion coefficients that were within the range of values previously reported for NNSS volcanic rocks. The difference between the estimates of the two methods ranged from 14 to 30%, and there was no systematic high or low bias of one method relative to the other. From a transport modeling perspective, these differences are relatively minor when one considers that other variables (e.g., fracture apertures, fracture spacings) influence matrix diffusion to a greater degree and tend to have greater uncertainty than effective matrix diffusion coefficients. For the same relative random errors in concentration measurements, the diffusion cell method yields effective matrix diffusion coefficient estimates that have less uncertainty than the wafer method. However, the wafer method is easier and less costly to implement and yields estimates more quickly, thus allowing a greater number of samples to be analyzed for the same cost and time. Given the relatively good agreement between the methods, and the lack of any apparent bias between the methods, the diffusion wafer method appears to offer advantages over the diffusion cell method if better statistical representation of a given set of rock samples is desired.

A Method for Approximating the Bivariate Normal Correlation Coefficient.

ERIC Educational Resources Information Center

Kirk, David B.

Improvements of the Gaussian quadrature in conjunction with the Newton-Raphson iteration technique (TM 000 789) are discussed as effective methods of calculating the bivariate normal correlation coefficient. (CK)

Fifty-fifth Christmas Bird Count. 159. Ocean City, Md

USGS Publications Warehouse

Robbins, C.S.

1955-01-01

The distribution of dynamic pressure behind a Harris' hawk's wing was sampled using a wake rake consisting of 15 pitot tubes and one static tube. The hawk was holding on to a perch, but at an air speed and gliding angle at which it was capable of gliding. The perch was instrumented, so that the lift developed by the wing was known and the lift coefficient could be calculated. The mean of 92 estimates of profile drag coefficient was 0.0207, with standard deviation 0.0079. Lift coefficients ranged from 0.51 to 1.08. Reynolds numbers were nearly all in the range 143000-194000. The estimates of profile drag coefficient were reconcilable with previous estimates of the wing profile drag of the same bird, obtained by the subtractive method, and also with values predicted by the ?Airfoil-ii? program for designing aerofoils, based on a digitized wing profile from the ulnar region of the wing. The thickness of the wake suggested that the boundary layer was mostly or fully turbulent in most observations and separated in some, possibly as an active means of creating drag for control purposes. It appears that the bird could momentarily either increase or decrease the profile drag of specific parts of the wing, by active changes of shape, and it appeared to use the carpo-metacarpal region especially for such control movements. Further investigation in a low turbulence wind tunnel would help to resolve doubts about the possible influence of airstream turbulence on the behaviour of the boundary layer.

Fifty-fifth Christmas Bird Count. 159. Ocean City, Md

USGS Publications Warehouse

Pennycuick, C.J.; Heine, C.E.; Kirkpatrick, S.J.; Fuller, M.R.

1992-01-01

The distribution of dynamic pressure behind a Harris' hawk's wing was sampled using a wake rake consisting of 15 pitot tubes and one static tube. The hawk was holding on to a perch, but at an air speed and gliding angle at which it was capable of gliding. The perch was instrumented, so that the lift developed by the wing was known and the lift coefficient could be calculated. The mean of 92 estimates of profile drag coefficient was 0.0207, with standard deviation 0.0079. Lift coefficients ranged from 0.51 to 1.08. Reynolds numbers were nearly all in the range 143000-194000. The estimates of profile drag coefficient were reconcilable with previous estimates of the wing profile drag of the same bird, obtained by the subtractive method, and also with values predicted by the `Airfoil-ii? program for designing aerofoils, based on a digitized wing profile from the ulnar region of the wing. The thickness of the wake suggested that the boundary layer was mostly or fully turbulent in most observations and separated in some, possibly as an active means of creating drag for control purposes. It appears that the bird could momentarily either increase or decrease the profile drag of specific parts of the wing, by active changes of shape, and it appeared to use the carpo-metacarpal region especially for such control movements. Further investigation in a low turbulence wind tunnel would help to resolve doubts about the possible influence of airstream turbulence on the behaviour of the boundary layer.

GASS-WEB: a web server for identifying enzyme active sites based on genetic algorithms.

PubMed

Moraes, João P A; Pappa, Gisele L; Pires, Douglas E V; Izidoro, Sandro C

2017-07-03

Enzyme active sites are important and conserved functional regions of proteins whose identification can be an invaluable step toward protein function prediction. Most of the existing methods for this task are based on active site similarity and present limitations including performing only exact matches on template residues, template size restraints, despite not being capable of finding inter-domain active sites. To fill this gap, we proposed GASS-WEB, a user-friendly web server that uses GASS (Genetic Active Site Search), a method based on an evolutionary algorithm to search for similar active sites in proteins. GASS-WEB can be used under two different scenarios: (i) given a protein of interest, to match a set of specific active site templates; or (ii) given an active site template, looking for it in a database of protein structures. The method has shown to be very effective on a range of experiments and was able to correctly identify >90% of the catalogued active sites from the Catalytic Site Atlas. It also managed to achieve a Matthew correlation coefficient of 0.63 using the Critical Assessment of protein Structure Prediction (CASP 10) dataset. In our analysis, GASS was ranking fourth among 18 methods. GASS-WEB is freely available at http://gass.unifei.edu.br/. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

The KSS 2011 reflects symptoms, physical activities, and radiographic grades in a Japanese population.

PubMed

Taniguchi, Naoya; Matsuda, Shuichi; Kawaguchi, Takahisa; Tabara, Yasuharu; Ikezoe, Tome; Tsuboyama, Tadao; Ichihashi, Noriaki; Nakayama, Takeo; Matsuda, Fumihiko; Ito, Hiromu

2015-01-01

Cultural and ethnic differences are present both in subjective and objective measures of patient health, but scoring systems do not always reflect these differences, and so validation of outcomes tools in different cultural settings is important. Recently, a revised version of The Knee Society Score® (KSS 2011) was developed, but to our knowledge, the degree that this tool evaluates clinical symptoms, physical activities, and radiographic grades in the general Japanese population is not known. We therefore asked: (1) how KSS 2011 reflects knee conditions and function in the general Japanese population, in particular evaluating changes with increasing patient age; (2) can objective measures of physical function be correlated with KSS 2011; and (3) does radiographic osteoarthritis (OA) grade correlate with KSS 2011? Two hundred twenty-six people in the general Japanese population, aged 35 to 92 years, with and without knee arthritis, voluntarily participated in this cross-sectional study. Residents who had no serious disease or symptoms based on a self-assessment were recruited. This study consisted of a questionnaire including self-administered KSS 2011, physical examination, and weightbearing radiographs of the knee. Leg muscle strength, Timed Up and Go test, and body mass index (BMI) were examined in all the participants. Radiographs were graded according to the Kellgren and Lawrence scale (KL grade). Multivariable linear regression analysis showed that KSS 2011 correlated with age (coefficient: -0.30±0.12, p=0.011), BMI (coefficient: -1.47±0.42, p<0.001), leg muscle strength (coefficient: 0.41±0.13, p=0.002), and Timed Up and Go Test (coefficient: -1.96±0.92, p=0.034), but not sex, as independent variables by a stepwise method. KSS 2011 was also correlated with radiographic OA evaluated by KL grade (coefficient: -12.2±2.9, p<0.001). KSS 2011 reflects symptoms, physical activities, and radiographic OA grades of the knee in an age-dependent manner in the general Japanese population. Level IV, diagnostic study. See Guidelines for Authors for a complete description of levels of evidence.

Change in active travel and changes in recreational and total physical activity in adults: longitudinal findings from the iConnect study

PubMed Central

2013-01-01

Background To better understand the health benefits of promoting active travel, it is important to understand the relationship between a change in active travel and changes in recreational and total physical activity. Methods These analyses, carried out in April 2012, use longitudinal data from 1628 adult respondents (mean age 54 years; 47% male) in the UK-based iConnect study. Travel and recreational physical activity were measured using detailed seven-day recall instruments. Adjusted linear regression models were fitted with change in active travel defined as ‘decreased’ (<−15 min/week), ‘maintained’ (±15 min/week) or ‘increased’ (>15 min/week) as the primary exposure variable and changes in (a) recreational and (b) total physical activity (min/week) as the primary outcome variables. Results Active travel increased in 32% (n=529), was maintained in 33% (n=534) and decreased in 35% (n=565) of respondents. Recreational physical activity decreased in all groups but this decrease was not greater in those whose active travel increased. Conversely, changes in active travel were associated with commensurate changes in total physical activity. Compared with those whose active travel remained unchanged, total physical activity decreased by 176.9 min/week in those whose active travel had decreased (adjusted regression coefficient −154.9, 95% CI −195.3 to −114.5) and was 112.2 min/week greater among those whose active travel had increased (adjusted regression coefficient 135.1, 95% CI 94.3 to 175.9). Conclusion An increase in active travel was associated with a commensurate increase in total physical activity and not a decrease in recreational physical activity. PMID:23445724

The Extent and Prediction of Heavy Metal Pollution in Soils of Shahrood and Damghan, Iran.

PubMed

Sakizadeh, Mohamad; Mirzaei, Rouhollah; Ghorbani, Hadi

2015-12-01

The levels of 12 heavy metals (Ag, Ba, Be, Cd, Co, Cr, Cu, Ni, Pb, Tl, V, Zn) were considered in 229 soil samples in Semnan Province, Iran. To discriminate between natural and anthropogenic inputs of heavy metals, factor analysis was used. Seven factors accounting for 90.5 % of the total variance were extracted. The mining and agricultural activities along with geogenic sources have been attributed as the main causes of the levels of heavy metals in the study area. The partial least squares regression was utilized to predict the level of soil pollution index (SPI) considering the concentrations of 12 heavy metals. The eigenvectors from the first three PLS represented more than 98 % of the overall variance. The correlation coefficient between the observed and predicted SPI was 0.99 indicating the high efficiency of this method. The resultant coefficient of determination for three PLS components was 0.984 confirming the predictive ability of this method.

A method for estimating the incident PAR on inclined surfaces

NASA Astrophysics Data System (ADS)

Xie, Xiaoping; Gao, Wei; Gao, Zhiqiang

2008-08-01

A new simple model has been developed that incorporates Digital Elevation Model (DEM) and Moderate Resolution Imaging Spectroradiometer (MODIS) products to produce incident photosynthetically active radiation (PAR) for tilted surface. The method is based on a simplification of the general radiative transfer equation, which considers five major processes of attenuation of solar radiation: 1) Rayleigh scattering, 2) absorption by ozone and water vapor, 3) aerosol scattering, 4) multiple reflectance between surface and atmosphere, and 5) three terrain factors: slope and aspect, isotropic sky view factor, and additional radiation by neighbor reflectance. A comparison of the model results with observational data from the Yucheng and Changbai Mountain sites of the Chinese Ecosystem Research Network (CERN) shows the correlation coefficient as 0.929 and 0.904, respectively. A comparison of the model results with the 2006 filed measured PAR in the Yucheng and Changbai sites shows the correlation coefficient as 0.929 and 0.904, respectively, and the average percent error as 10% and 15%, respectively.

Method of preparing corrosion resistant composite materials

DOEpatents

Kaun, Thomas D.

1993-01-01

Method of manufacture of ceramic materials which require stability in severely-corrosive environment having high alkali-metal activity, high sulfur/sulfide activity and/or molten halides at temperatures of 200.degree.-550.degree. C. or organic salt (including SO.sub.2 and SO.sub.2 Cl.sub.2) at temperatures of 25.degree.-200.degree. C. These surfide ceramics form stoichiometric (single-phase) compounds with sulfides of Ca, Li, Na, K, Al, Mg, Si, Y, La, Ce, Ga, Ba, Zr and Sr and show melting-points that are sufficiently low and have excellent wettability with many metals (Fe, Ni, Mo) to easily form metal/ceramic seals. Ceramic compositions are also formulated to adequately match thermal expansion coefficient of adjacent metal components.

Optimization of Preparation of Antioxidative Peptides from Pumpkin Seeds Using Response Surface Method

PubMed Central

Fan, Sanhong; Hu, Yanan; Li, Chen; Liu, Yanrong

2014-01-01

Protein isolates of pumpkin (Cucurbita pepo L) seeds were hydrolyzed by acid protease to prepare antioxidative peptides. The hydrolysis conditions were optimized through Box-Behnken experimental design combined with response surface method (RSM). The second-order model, developed for the DPPH radical scavenging activity of pumpkin seed hydrolysates, showed good fit with the experiment data with a high value of coefficient of determination (0.9918). The optimal hydrolysis conditions were determined as follows: hydrolyzing temperature 50°C, pH 2.5, enzyme amount 6000 U/g, substrate concentration 0.05 g/ml and hydrolyzing time 5 h. Under the above conditions, the scavenging activity of DPPH radical was as high as 92.82%. PMID:24637721

Evaluation of a novel canine activity monitor for at-home physical activity analysis.

PubMed

Yashari, Jonathan M; Duncan, Colleen G; Duerr, Felix M

2015-07-04

Accelerometers are motion-sensing devices that have been used to assess physical activity in dogs. However, the lack of a user-friendly, inexpensive accelerometer has hindered the widespread use of this objective outcome measure in veterinary research. Recently, a smartphone-based, affordable activity monitor (Whistle) has become available for measurement of at-home physical activity in dogs. The aim of this research was to evaluate this novel accelerometer. Eleven large breed, privately owned dogs wore a collar fitted with both the Whistle device and a previously validated accelerometer-based activity monitor (Actical) for a 24-h time period. Owners were asked to have their dogs resume normal daily activities. Total activity time obtained from the Whistle device in minutes was compared to the total activity count from the Actical device. Activity intensity from the Whistle device was calculated manually from screenshots of the activity bars displayed in the smartphone-application and compared to the activity count recorded by the Actical in the same 3-min time period. A total of 3740 time points were compared. There was a strong correlation between activity intensity of both devices for individual time points (Pearson's correlation coefficient 0.81, p < 0.0001). An even stronger correlation was observed between the total activity data between the two devices (Pearson's correlation coefficient 0.925, p < 0.0001). Activity data provided by the Whistle activity monitor may be used as an objective outcome measurement in dogs. The total activity time provided by the Whistle application offers an inexpensive method for obtaining at-home, canine, real-time physical activity data. Limitations of the Whistle device include the limited battery life, the need for manual derivation of activity intensity data and data transfer, and the requirement of Wi-Fi and Bluetooth availability for data transmission.

Mutual influence of molecular diffusion in gas and surface phases

NASA Astrophysics Data System (ADS)

Hori, Takuma; Kamino, Takafumi; Yoshimoto, Yuta; Takagi, Shu; Kinefuchi, Ikuya

2018-01-01

We develop molecular transport simulation methods that simultaneously deal with gas- and surface-phase diffusions to determine the effect of surface diffusion on the overall diffusion coefficients. The phenomenon of surface diffusion is incorporated into the test particle method and the mean square displacement method, which are typically employed only for gas-phase transport. It is found that for a simple cylindrical pore, the diffusion coefficients in the presence of surface diffusion calculated by these two methods show good agreement. We also confirm that both methods reproduce the analytical solution. Then, the diffusion coefficients for ink-bottle-shaped pores are calculated using the developed method. Our results show that surface diffusion assists molecular transport in the gas phase. Moreover, the surface tortuosity factor, which is known to be uniquely determined by physical structure, is influenced by the presence of gas-phase diffusion. This mutual influence of gas-phase diffusion and surface diffusion indicates that their simultaneous calculation is necessary for an accurate evaluation of the diffusion coefficients.

Particle tracking by using single coefficient of Wigner-Ville distribution

NASA Astrophysics Data System (ADS)

Widjaja, J.; Dawprateep, S.; Chuamchaitrakool, P.; Meemon, P.

2016-11-01

A new method for extracting information from particle holograms by using a single coefficient of Wigner-Ville distribution (WVD) is proposed to obviate drawbacks of conventional numerical reconstructions. Our previous study found that analysis of the holograms by using the WVD gives output coefficients which are mainly confined along a diagonal direction intercepted at the origin of the WVD plane. The slope of this diagonal direction is inversely proportional to the particle position. One of these coefficients always has minimum amplitude, regardless of the particle position. By detecting position of the coefficient with minimum amplitude in the WVD plane, the particle position can be accurately measured. The proposed method is verified through computer simulations.

Entropy-scaling laws for diffusion coefficients in liquid metals under high pressures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cao, Qi-Long, E-mail: qlcao@mail.ustc.edu.cn; Shao, Ju-Xiang; Wang, Fan-Hou, E-mail: eatonch@gmail.com

2015-04-07

Molecular dynamic simulations on the liquid copper and tungsten are used to investigate the empirical entropy-scaling laws D{sup *}=A exp(BS{sub ex}), proposed independently by Rosenfeld and Dzugutov for diffusion coefficient, under high pressure conditions. We show that the scaling laws hold rather well for them under high pressure conditions. Furthermore, both the original diffusion coefficients and the reduced diffusion coefficients exhibit an Arrhenius relationship D{sub M}=D{sub M}{sup 0} exp(−E{sub M}/K{sub B}T), (M=un,R,D) and the activation energy E{sub M} increases with increasing pressure, the diffusion pre-exponential factors (D{sub R}{sup 0} and D{sub D}{sup 0}) are nearly independent of the pressure and element. Themore » pair correlation entropy, S{sub 2}, depends linearly on the reciprocal temperature S{sub 2}=−E{sub S}/T, and the activation energy, E{sub S}, increases with increasing pressure. In particular, the ratios of the activation energies (E{sub un}, E{sub R}, and E{sub D}) obtained from diffusion coefficients to the activation energy, E{sub S}, obtained from the entropy keep constants in the whole pressure range. Therefore, the entropy-scaling laws for the diffusion coefficients and the Arrhenius law are linked via the temperature dependence of entropy.« less

Semi-analytical Model for Estimating Absorption Coefficients of Optically Active Constituents in Coastal Waters

NASA Astrophysics Data System (ADS)

Wang, D.; Cui, Y.

2015-12-01

The objectives of this paper are to validate the applicability of a multi-band quasi-analytical algorithm (QAA) in retrieval absorption coefficients of optically active constituents in turbid coastal waters, and to further improve the model using a proposed semi-analytical model (SAA). The ap(531) and ag(531) semi-analytically derived using SAA model are quite different from the retrievals procedures of QAA model that ap(531) and ag(531) are semi-analytically derived from the empirical retrievals results of a(531) and a(551). The two models are calibrated and evaluated against datasets taken from 19 independent cruises in West Florida Shelf in 1999-2003, provided by SeaBASS. The results indicate that the SAA model produces a superior performance to QAA model in absorption retrieval. Using of the SAA model in retrieving absorption coefficients of optically active constituents from West Florida Shelf decreases the random uncertainty of estimation by >23.05% from the QAA model. This study demonstrates the potential of the SAA model in absorption coefficients of optically active constituents estimating even in turbid coastal waters. Keywords: Remote sensing; Coastal Water; Absorption Coefficient; Semi-analytical Model

PULSAR SIGNAL DENOISING METHOD BASED ON LAPLACE DISTRIBUTION IN NO-SUBSAMPLING WAVELET PACKET DOMAIN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wenbo, Wang; Yanchao, Zhao; Xiangli, Wang

2016-11-01

In order to improve the denoising effect of the pulsar signal, a new denoising method is proposed in the no-subsampling wavelet packet domain based on the local Laplace prior model. First, we count the true noise-free pulsar signal’s wavelet packet coefficient distribution characteristics and construct the true signal wavelet packet coefficients’ Laplace probability density function model. Then, we estimate the denosied wavelet packet coefficients by using the noisy pulsar wavelet coefficients based on maximum a posteriori criteria. Finally, we obtain the denoisied pulsar signal through no-subsampling wavelet packet reconstruction of the estimated coefficients. The experimental results show that the proposed method performs better when calculating the pulsar time of arrival than the translation-invariant wavelet denoising method.

Antioxidant activity and phenol content of extracts of bark, stems, and young and mature leaves from Blepharocalyx salicifolius (Kunth) O. Berg.

PubMed

Habermann, E; Imatomi, M; Pontes, F C; Gualtieri, S C J

2016-01-01

Phenolic compounds are a group of plant secondary metabolites known to have a variety of bioactivities, including the ability to function as antioxidants. Because of the side effects of the use of synthetic substances, the search for natural and less toxic compounds has increased significantly. This study was designed to evaluate the antioxidant activity and phenol content of hexane, ethyl acetate, and aqueous extracts of the bark (suber) and stems as well as the young and mature leaves of Blepharocalyx salicifolius. The extracts were obtained by extraction with organic solvents and subsequent fractionation by chromatographic partition coefficient. Preliminary tests for the presence of antioxidants were performed using bioautography in thin-layer chromatography. The antioxidant activity of the extracts was assessed using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) method, and the phenol content of the extracts was quantified using the Folin-Ciocalteu technique. The results showed that 9 of the 12 extracts evaluated displayed very strong antioxidant activity and three displayed moderate activity. Aqueous extracts of the young leaves and bark and the ethyl acetate extract of the young leaves showed the highest levels of antioxidant activity and total phenolic content (TPC). A correlation was observed between TPC and antioxidant activity index (AAI) with a correlation coefficient (r2) of 0.7999. Thus, the high phenol content of B. salicifolius extracts and its correlation with antioxidant activity provide substrates for further studies.

Spatial Distribution of the Coefficient of Variation and Bayesian Forecast for the Paleo-Earthquakes in Japan

NASA Astrophysics Data System (ADS)

Nomura, Shunichi; Ogata, Yosihiko

2016-04-01

We propose a Bayesian method of probability forecasting for recurrent earthquakes of inland active faults in Japan. Renewal processes with the Brownian Passage Time (BPT) distribution are applied for over a half of active faults in Japan by the Headquarters for Earthquake Research Promotion (HERP) of Japan. Long-term forecast with the BPT distribution needs two parameters; the mean and coefficient of variation (COV) for recurrence intervals. The HERP applies a common COV parameter for all of these faults because most of them have very few specified paleoseismic events, which is not enough to estimate reliable COV values for respective faults. However, different COV estimates are proposed for the same paleoseismic catalog by some related works. It can make critical difference in forecast to apply different COV estimates and so COV should be carefully selected for individual faults. Recurrence intervals on a fault are, on the average, determined by the long-term slip rate caused by the tectonic motion but fluctuated by nearby seismicities which influence surrounding stress field. The COVs of recurrence intervals depend on such stress perturbation and so have spatial trends due to the heterogeneity of tectonic motion and seismicity. Thus we introduce a spatial structure on its COV parameter by Bayesian modeling with a Gaussian process prior. The COVs on active faults are correlated and take similar values for closely located faults. It is found that the spatial trends in the estimated COV values coincide with the density of active faults in Japan. We also show Bayesian forecasts by the proposed model using Markov chain Monte Carlo method. Our forecasts are different from HERP's forecast especially on the active faults where HERP's forecasts are very high or low.

Remote Acoustic Emission Monitoring of Metal Ware and Welded Joints

NASA Astrophysics Data System (ADS)

Kapranov, Boris I.; Sutorikhin, Vladimir A.

2017-10-01

An unusual phenomenon was revealed in the metal-ultrasound interaction. Microwave sensor generates surface electric conductivity oscillations from exposure to elastic ultrasonic vibrations on regions of defects embracing micro-defects termed as “crack mouth.” They are known as the region of “acoustic activity,” method of Acoustic Emission (AE) method. It was established that the high phase-modulation coefficient of reflected field generates intentional Doppler radar signal with the following parameters: amplitude-1-5 nm, 6-30 dB adjusted to 70- 180 mm. This phenomenon is termed as “Gorbunov effect,” which is applied as a remote non-destructive testing method replacing ultrasonic flaw detection and acoustic emission methods.

Realization of New and Enhanced Materials Properties Through Nanostructural Control

DTIC Science & Technology

2007-06-11

methods have been used to guide the design of novel new organic electroactive materials (e.g., electro - optic binary chromophore organic glasses...These new materials have yielded electro - optic coefficients as high as 450 pm/V (15 times lithium niobate) with auxiliary properties of modest optical... electro - optic activity has been achieved for the first time and theoretical conclusions have been verified by a number of new measurement techniques

Validating and improving a zero-dimensional stack voltage model of the Vanadium Redox Flow Battery

NASA Astrophysics Data System (ADS)

König, S.; Suriyah, M. R.; Leibfried, T.

2018-02-01

Simple, computationally efficient battery models can contribute significantly to the development of flow batteries. However, validation studies for these models on an industrial-scale stack level are rarely published. We first extensively present a simple stack voltage model for the Vanadium Redox Flow Battery. For modeling the concentration overpotential, we derive mass transfer coefficients from experimental results presented in the 1990s. The calculated mass transfer coefficient of the positive half-cell is 63% larger than of the negative half-cell, which is not considered in models published to date. Further, we advance the concentration overpotential model by introducing an apparent electrochemically active electrode surface which differs from the geometric electrode area. We use the apparent surface as fitting parameter for adapting the model to experimental results of a flow battery manufacturer. For adapting the model, we propose a method for determining the agreement between model and reality quantitatively. To protect the manufacturer's intellectual property, we introduce a normalization method for presenting the results. For the studied stack, the apparent electrochemically active surface of the electrode is 41% larger than its geometrical area. Hence, the current density in the diffusion layer is 29% smaller than previously reported for a zero-dimensional model.

Physical activity and sedentary lifestyle among children from private and public schools in Northern Brazil.

PubMed

Oliveira, Thiara Castro de; Silva, Antônio Augusto Moura da; Santos, Cristiane de Jesus Nunes dos; Silva, Josenilde Sousa e; Conceição, Sueli Ismael Oliveira da

2010-12-01

To analyze factors associated with physical activity and the mean time spent in some sedentary activities among school-aged children. A cross-sectional study was carried out in a random sample of 592 schoolchildren aged nine to 16 years in 2005, in São Luís, Northern Brazil. Data were collected by means of a 24-Hour Physical Activity Recall Questionnaire, concerning demographic and socioeconomic variables, physical activities practiced and time spent in certain sedentary activities. Physical activities were classified according to their metabolic equivalents (MET), and a physical activity index was estimated for each child. Sedentary lifestyle was estimated based on time spent watching television, playing videogames and on the computer/internet. Chi square test was used to compare proportions. Linear regression analysis was used to establish associations. Estimates were adjusted for the effect of the sampling design. The mean of the physical activity index was 605.73 MET-min/day (SD = 509.45). School children that were male (coefficient=134.57; 95%CI 50.77; 218.37), from public schools (coefficient.= 94.08; 95%CI 12.54; 175.62 and in the 5th to 7th grade (coefficient.=95.01; 95%CI 8.10;181.92 presented higher indices than females, children from private schools and in the 8th to the 9th grade (p<0.05). On average, students spent 2.66 hours/day in sedentary activities. Time spent in sedentary activities was significantly lower for children aged nine to 11 years (coefficient.= -0.49 hr/day; 95%CI -0.88; -0.10) and in lower socioeconomic classes (coefficient.=-0.87; 95%CI -1.45;-0.30). Domestic chores (59.43%) and walking to school (58.43%) were the most common physical activities. Being female, in private schools and in the 8th to 9th grade were factors associated with lower levels of physical activity. Younger schoolchildren and those from low economic classes spent less time engaged in sedentary activities.

Technical note: how to determine the FDG activity for tumour PET imaging that satisfies European guidelines.

PubMed

Koopman, Daniëlle; van Osch, Jochen A C; Jager, Pieter L; Tenbergen, Carlijn J A; Knollema, Siert; Slump, Cornelis H; van Dalen, Jorn A

2016-12-01

For tumour imaging with PET, the literature proposes to administer a patient-specific FDG activity that depends quadratically on a patient's body weight. However, a practical approach on how to implement such a protocol in clinical practice is currently lacking. We aimed to provide a practical method to determine a FDG activity formula for whole-body PET examinations that satisfies both the EANM guidelines and this quadratic relation. We have developed a methodology that results in a formula describing the patient-specific FDG activity to administer. A PET study using the NEMA NU-2001 image quality phantom forms the basis of our method. This phantom needs to be filled with 2.0 and 20.0 kBq FDG/mL in the background and spheres, respectively. After a PET acquisition of 10 min, a reconstruction has to be performed that results in sphere recovery coefficients (RCs) that are within the specifications as defined by the EANM Research Ltd (EARL). By performing reconstructions based on shorter scan durations, the minimal scan time per bed position (T min) needs to be extracted using an image coefficient of variation (COV) of 15 %. At T min, the RCs should be within EARL specifications as well. Finally, the FDG activity (in MBq) to administer can be described by [Formula: see text] with c a constant that is typically 0.0533 (MBq/kg(2)), w the patient's body weight (in kg), and t the scan time per bed position that is chosen in a clinical setting (in seconds). We successfully demonstrated this methodology using a state-of-the-art PET/CT scanner. We provide a practical method that results in a formula describing the FDG activity to administer to individual patients for whole-body PET examinations, taking into account both the EANM guidelines and a quadratic relation between FDG activity and patient's body weight. This formula is generally applicable to any PET system, using a specified image reconstruction and scan time per bed position.

Determination of the optical absorption spectra of thin layers from their photoacoustic spectra

NASA Astrophysics Data System (ADS)

Bychto, Leszek; Maliński, Mirosław; Patryn, Aleksy; Tivanov, Mikhail; Gremenok, Valery

2018-05-01

This paper presents a new method for computations of the optical absorption coefficient spectra from the normalized photoacoustic amplitude spectra of thin semiconductor samples deposited on the optically transparent and thermally thick substrates. This method was tested on CuIn(Te0.7Se0.3)2 thin films. From the normalized photoacoustic amplitude spectra, the optical absorption coefficient spectra were computed with the new formula as also with the numerical iterative method. From these spectra, the value of the energy gap of the thin film material and the type of the optical transitions were determined. From the experimental optical transmission spectra, the optical absorption coefficient spectra were computed too, and compared with the optical absorption coefficient spectra obtained from photoacoustic spectra.

Feature Genes Selection Using Supervised Locally Linear Embedding and Correlation Coefficient for Microarray Classification

PubMed Central

Wang, Yun; Huang, Fangzhou

2018-01-01

The selection of feature genes with high recognition ability from the gene expression profiles has gained great significance in biology. However, most of the existing methods have a high time complexity and poor classification performance. Motivated by this, an effective feature selection method, called supervised locally linear embedding and Spearman's rank correlation coefficient (SLLE-SC2), is proposed which is based on the concept of locally linear embedding and correlation coefficient algorithms. Supervised locally linear embedding takes into account class label information and improves the classification performance. Furthermore, Spearman's rank correlation coefficient is used to remove the coexpression genes. The experiment results obtained on four public tumor microarray datasets illustrate that our method is valid and feasible. PMID:29666661

Feature Genes Selection Using Supervised Locally Linear Embedding and Correlation Coefficient for Microarray Classification.

PubMed

Xu, Jiucheng; Mu, Huiyu; Wang, Yun; Huang, Fangzhou

2018-01-01

The selection of feature genes with high recognition ability from the gene expression profiles has gained great significance in biology. However, most of the existing methods have a high time complexity and poor classification performance. Motivated by this, an effective feature selection method, called supervised locally linear embedding and Spearman's rank correlation coefficient (SLLE-SC 2 ), is proposed which is based on the concept of locally linear embedding and correlation coefficient algorithms. Supervised locally linear embedding takes into account class label information and improves the classification performance. Furthermore, Spearman's rank correlation coefficient is used to remove the coexpression genes. The experiment results obtained on four public tumor microarray datasets illustrate that our method is valid and feasible.

Determination of UV-visible-NIR absorption coefficient of graphite bulk using direct and indirect methods

NASA Astrophysics Data System (ADS)

Smausz, T.; Kondász, B.; Gera, T.; Ajtai, T.; Utry, N.; Pintér, M.; Kiss-Albert, G.; Budai, J.; Bozóki, Z.; Szabó, G.; Hopp, B.

2017-10-01

Absorption coefficient of graphite bulk pressed from 1 to 5 μm-sized crystalline grains was measured in UV-Vis-NIR range with three different methods: (i) determination of pulsed laser ablation rate as the function of laser fluence for different wavelengths (248, 337, 532, and 1064 nm, respectively); (ii) production of aerosol particles by UV laser ablation of the bulk graphite in inert atmosphere and determination of the mass-specific absorption coefficient with a four-wavelength (266, 355, 532, and 1064 nm, respectively) photoacoustic spectrometer, and (iii) spectroscopic ellipsometry in 250-1000 nm range. Taking into account the wide range of the absorption coefficients of different carbon structures, an overall relatively good agreement was observed for the three methods. The ellipsometric results fit well with the ablation rate measurement, and the data obtained with photoacoustic method are also similar in the UV and NIR region; however, the values were somewhat higher in visible and near-UV range. Taking into account the limitations of the methods, they can be promising candidates for the determination of absorption coefficient when the samples are strongly scattering and there is no possibility to perform transmissivity measurements.

Negative Correlation between the Diffusion Coefficient and Transcriptional Activity of the Glucocorticoid Receptor.

PubMed

Mikuni, Shintaro; Yamamoto, Johtaro; Horio, Takashi; Kinjo, Masataka

2017-08-25

The glucocorticoid receptor (GR) is a transcription factor, which interacts with DNA and other cofactors to regulate gene transcription. Binding to other partners in the cell nucleus alters the diffusion properties of GR. Raster image correlation spectroscopy (RICS) was applied to quantitatively characterize the diffusion properties of EGFP labeled human GR (EGFP-hGR) and its mutants in the cell nucleus. RICS is an image correlation technique that evaluates the spatial distribution of the diffusion coefficient as a diffusion map. Interestingly, we observed that the averaged diffusion coefficient of EGFP-hGR strongly and negatively correlated with its transcriptional activities in comparison to that of EGFP-hGR wild type and mutants with various transcriptional activities. This result suggests that the decreasing of the diffusion coefficient of hGR was reflected in the high-affinity binding to DNA. Moreover, the hyper-phosphorylation of hGR can enhance the transcriptional activity by reduction of the interaction between the hGR and the nuclear corepressors.

New Insights into Signed Path Coefficient Granger Causality Analysis.

PubMed

Zhang, Jian; Li, Chong; Jiang, Tianzi

2016-01-01

Granger causality analysis, as a time series analysis technique derived from econometrics, has been applied in an ever-increasing number of publications in the field of neuroscience, including fMRI, EEG/MEG, and fNIRS. The present study mainly focuses on the validity of "signed path coefficient Granger causality," a Granger-causality-derived analysis method that has been adopted by many fMRI researches in the last few years. This method generally estimates the causality effect among the time series by an order-1 autoregression, and defines a positive or negative coefficient as an "excitatory" or "inhibitory" influence. In the current work we conducted a series of computations from resting-state fMRI data and simulation experiments to illustrate the signed path coefficient method was flawed and untenable, due to the fact that the autoregressive coefficients were not always consistent with the real causal relationships and this would inevitablely lead to erroneous conclusions. Overall our findings suggested that the applicability of this kind of causality analysis was rather limited, hence researchers should be more cautious in applying the signed path coefficient Granger causality to fMRI data to avoid misinterpretation.

Distortion analysis of subband adaptive filtering methods for FMRI active noise control systems.

PubMed

Milani, Ali A; Panahi, Issa M; Briggs, Richard

2007-01-01

Delayless subband filtering structure, as a high performance frequency domain filtering technique, is used for canceling broadband fMRI noise (8 kHz bandwidth). In this method, adaptive filtering is done in subbands and the coefficients of the main canceling filter are computed by stacking the subband weights together. There are two types of stacking methods called FFT and FFT-2. In this paper, we analyze the distortion introduced by these two stacking methods. The effect of the stacking distortion on the performance of different adaptive filters in FXLMS algorithm with non-minimum phase secondary path is explored. The investigation is done for different adaptive algorithms (nLMS, APA and RLS), different weight stacking methods, and different number of subbands.

Concurrent Solution and Adsorption of Hydrocarbons in Gas Chromatographic Columns Packed with Different Loadings of 3-Methylsydnone on Chromosorb P

PubMed

Castells; Romero; Nardillo

1997-08-01

Thermodynamic properties of solution in 3-methylsydnone (3MS) and of adsorption at the nitrogen/3MS interface were gas chromatographically measured for a group of fifteen hydrocarbons at infinite dilution conditions. Retention volumes were measured at five temperatures within the range 37-52°C in six columns containing different loadings of 3MS on Chromosorb P AW. Partition and adsorption coefficients were calculated and from their temperature dependence the corresponding enthalpies were obtained, although with considerable error; infinite dilution activity coefficients of the hydrocarbons in the bulk and in the surface phases demonstrated a strong correlation. Bulk activity coefficients in 3MS were very much smaller than those previously measured for the same solutes in formamide (FA) and in ethyleneglycol (EG), and were also smaller than what could be predicted on account of 3MS cohesive energy density as estimated from the quotient sigma/v1/3 (sigma, surface tension; v, molar volume). There was not such a large difference between the surface activity coefficients in the three solvents; furthermore, the quotients (surface activity coefficient/bulk activity coefficient) for a given solute in 3MS were twice as large as in FA and about three times larger than in EG. These results make evident the difficulties inherent in the prediction of surface phase properties from those in the bulk and cast doubts on the pertinency of employing the surface tension to compare cohesive energy densities of polar solvents with important chemical differences.

Agreement between ambulatory, home, and office blood pressure variability.

PubMed

Juhanoja, Eeva P; Niiranen, Teemu J; Johansson, Jouni K; Puukka, Pauli J; Jula, Antti M

2016-01-01

Ambulatory, home, and office blood pressure (BP) variability are often treated as a single entity. Our aim was to assess the agreement between these three methods for measuring BP variability. Twenty-four-hour ambulatory BP monitoring, 28 home BP measurements, and eight office BP measurements were performed on 461 population-based or hypertensive participants. Five variability indices were calculated for all measurement methods: SD, coefficient of variation, maximum-minimum difference, variability independent of the mean, and average real variability. Pearson's correlation coefficients were calculated for indices measured with different methods. The agreement between different measurement methods on the diagnoses of extreme BP variability (participants in the highest decile of variability) was assessed with kappa (κ) coefficients. SBP/DBP variability was greater in daytime (coefficient of variation: 9.8 ± 2.9/11.9 ± 3.6) and night-time ambulatory measurements (coefficient of variation: 8.6 ± 3.4/12.1 ± 4.5) than in home (coefficient of variation: 4.4 ± 1.8/4.7 ± 1.9) and office (coefficient of variation: 4.6 ± 2.4/5.2 ± 2.6) measurements (P < 0.001/0.001 for all). Pearson's correlation coefficients for systolic/diastolic daytime or night-time ambulatory-home, ambulatory-office, and home-office variability indices ranged between 0.07-0.25/0.12-0.23, 0.13-0.26/0.03-0.22 and 0.13-0.24/0.10-0.19, respectively, indicating, at most, a weak positive (r < 0.3) relationship. The agreement between measurement methods on diagnoses of extreme SBP/DBP variability was only slight (κ < 0.2), with the κ coefficients for daytime and night-time ambulatory-home, ambulatory-office, and home-office agreement varying between-0.014-0.20/0.061-0.15, 0.037-0.18/0.082-0.15, and 0.082-0.13/0.045-0.15, respectively. Shorter-term and longer-term BP variability assessed by different methods of BP measurement seem to correlate only weakly with each other. Our study suggests that BP variability measured by different methods and timeframes may reflect different phenomena, not a single entity.

Estimation of the KR20 Reliability Coefficient When Data Are Incomplete.

ERIC Educational Resources Information Center

Huynh, Huynh

Three techniques for estimating Kuder Richardson reliability (KR20) coefficients for incomplete data are contrasted. The methods are: (1) Henderson's Method 1 (analysis of variance, or ANOVA); (2) Henderson's Method 3 (FITCO); and (3) Koch's method of symmetric sums (SYSUM). A Monte Carlo simulation was used to assess the precision of the three…

A novel accelerometer-based method to describe day-to-day exposure to potentially osteogenic vertical impacts in older adults: findings from a multi-cohort study.

PubMed

Hannam, K; Deere, K C; Hartley, A; Clark, E M; Coulson, J; Ireland, A; Moss, C; Edwards, M H; Dennison, E; Gaysin, T; Cooper, R; Wong, A; McPhee, J S; Cooper, C; Kuh, D; Tobias, J H

2017-03-01

This observational study assessed vertical impacts experienced in older adults as part of their day-to-day physical activity using accelerometry and questionnaire data. Population-based older adults experienced very limited high-impact activity. The accelerometry method utilised appeared to be valid based on comparisons between different cohorts and with self-reported activity. We aimed to validate a novel method for evaluating day-to-day higher impact weight-bearing physical activity (PA) in older adults, thought to be important in protecting against osteoporosis, by comparing results between four cohorts varying in age and activity levels, and with self-reported PA levels. Participants were from three population-based cohorts, MRC National Survey of Health and Development (NSHD), Hertfordshire Cohort Study (HCS) and Cohort for Skeletal Health in Bristol and Avon (COSHIBA), and the Master Athlete Cohort (MAC). Y-axis peaks (reflecting the vertical when an individual is upright) from a triaxial accelerometer (sampling frequency 50 Hz, range 0-16 g) worn at the waist for 7 days were classified as low (0.5-1.0 g), medium (1.0-1.5 g) or higher (≥1.5 g) impacts. There were a median of 90, 41 and 39 higher impacts/week in NSHD (age 69.5), COSHIBA (age 76.8) and HCS (age 78.5) participants, respectively (total n = 1512). In contrast, MAC participants (age 68.5) had a median of 14,322 higher impacts/week. In the three population cohorts combined, based on comparison of beta coefficients, moderate-high-impact activities as assessed by PA questionnaire were suggestive of stronger association with higher impacts from accelerometers (0.25 [0.17, 0.34]), compared with medium (0.18 [0.09, 0.27]) and low impacts (0.13 [0.07,0.19]) (beta coefficient, with 95 % CI). Likewise in MAC, reported moderate-high-impact activities showed a stronger association with higher impacts (0.26 [0.14, 0.37]), compared with medium (0.14 [0.05, 0.22]) and low impacts (0.03 [-0.02, 0.08]). Our new accelerometer method appears to provide valid measures of higher vertical impacts in older adults. Results obtained from the three population-based cohorts indicate that older adults generally experience very limited higher impact weight-bearing PA.

[Correlations of bile acids in the bile of rats in conditions of alloxan induced diabetes melitus].

PubMed

Danchenko, N M; Vesel'skyĭ, S P; Tsudzevych, B O

2014-01-01

The ratio of bile acids in the bile of rats with alloxan diabetes was investigated using the method of thin-layer chromatography. Changes of coefficients of conjugation and hydroxylation of bile acids were calculated and analyzed in half-hour samples of bile obtained during the 3-hour experiment. It has been found that the processes of conjugation of cholic acid with glycine and taurine are inhibited in alloxan diabetes. At the same time a significant increase of free threehydroxycholic and dixydroxycholic bile acids and conjugates of the latter ones with taurine has been registered. Coefficients of hydroxylation in alloxan diabetes show the domination of "acidic" pathway in bile acid biosynthesis that is tightly connected with the activity of mitochondrial enzymes.

Radiometric assay for ganglioside sialidase applied to the determination of the enzyme subcellular location in culture human fibroblasts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chigorno, V.; Cardace, G.; Pitto, M.

1986-03-01

A radiometric method for the assay of ganglioside sialidase in cultured human fibroblasts was set up. As substrate, highly radioactive (1.28 Ci/mmol) ganglioside GD/sub 1a/ isotopically tritium-labeled at carbon C-3 of the long chain base was employed; the liberated, and TLC separated (/sup 3/H)GM/sub 1/ was determined by computer-assisted radiochromatoscanning. Under experimental conditions that provided a low and quite acceptable (4-5%) coefficient of variation, the detection limit of the method was 0.1 nmol of liberated GM/sub 1/, using as low as 10 ..mu..g of fibroblast homogenate as protein. The detection limit could be lowered to 0.02-0.03 nmol, adopting conditions that,more » however, carried a higher analytical error (coefficient of variation over 10%). The content of ganglioside sialidase in human fibroblasts cultured in 75-cm/sup 2/ plastic flasks was 5.8 -/+ 2.5 (SD) nmol liberated GM/sub 1/ h/sup -1/ mg protein/sup -1/. Subfractionation studies performed on fibroblast homogenate showed that the ganglioside sialidase was mainly associated with the light membrane subfraction that was rich in plasma and intracellular membranes. This subfraction displayed almost no sialidase activity on the artificial substrate 4-methylumbelliferyl-D-N-acetylneuraminic acid. A small but measurable ganglioside sialidase activity was also present in the lysosome-enriched subfraction, which contained a very high sialidase activity on the above artificial substrate.« less

Numerical simulation of the change characteristics of power dissipation coefficient of Ti-24Al-15Nb alloy in hot deformation

NASA Astrophysics Data System (ADS)

Wang, Kelu; Li, Xin; Zhang, Xiaobo

2018-03-01

The power dissipation maps of Ti-25Al-15Nb alloy were constructed by using the compression test data. A method is proposed to predict the distribution and variation of power dissipation coefficient in hot forging process using both the dynamic material model and finite element simulation. Using the proposed method, the change characteristics of the power dissipation coefficient are simulated and predicted. The effectiveness of the proposed method was verified by comparing the simulation results with the physical experimental results.

Comparison of experimental methods for estimating matrix diffusion coefficients for contaminant transport modeling

DOE PAGES

Telfeyan, Katherine Christina; Ware, Stuart Doug; Reimus, Paul William; ...

2018-01-31

Here, diffusion cell and diffusion wafer experiments were conducted to compare methods for estimating effective matrix diffusion coefficients in rock core samples from Pahute Mesa at the Nevada Nuclear Security Site (NNSS). A diffusion wafer method, in which a solute diffuses out of a rock matrix that is pre-saturated with water containing the solute, is presented as a simpler alternative to the traditional through-diffusion (diffusion cell) method. Both methods yielded estimates of effective matrix diffusion coefficients that were within the range of values previously reported for NNSS volcanic rocks. The difference between the estimates of the two methods ranged frommore » 14 to 30%, and there was no systematic high or low bias of one method relative to the other. From a transport modeling perspective, these differences are relatively minor when one considers that other variables (e.g., fracture apertures, fracture spacings) influence matrix diffusion to a greater degree and tend to have greater uncertainty than effective matrix diffusion coefficients. For the same relative random errors in concentration measurements, the diffusion cell method yields effective matrix diffusion coefficient estimates that have less uncertainty than the wafer method. However, the wafer method is easier and less costly to implement and yields estimates more quickly, thus allowing a greater number of samples to be analyzed for the same cost and time. Given the relatively good agreement between the methods, and the lack of any apparent bias between the methods, the diffusion wafer method appears to offer advantages over the diffusion cell method if better statistical representation of a given set of rock samples is desired.« less

Comparison of experimental methods for estimating matrix diffusion coefficients for contaminant transport modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Telfeyan, Katherine Christina; Ware, Stuart Doug; Reimus, Paul William

Here, diffusion cell and diffusion wafer experiments were conducted to compare methods for estimating effective matrix diffusion coefficients in rock core samples from Pahute Mesa at the Nevada Nuclear Security Site (NNSS). A diffusion wafer method, in which a solute diffuses out of a rock matrix that is pre-saturated with water containing the solute, is presented as a simpler alternative to the traditional through-diffusion (diffusion cell) method. Both methods yielded estimates of effective matrix diffusion coefficients that were within the range of values previously reported for NNSS volcanic rocks. The difference between the estimates of the two methods ranged frommore » 14 to 30%, and there was no systematic high or low bias of one method relative to the other. From a transport modeling perspective, these differences are relatively minor when one considers that other variables (e.g., fracture apertures, fracture spacings) influence matrix diffusion to a greater degree and tend to have greater uncertainty than effective matrix diffusion coefficients. For the same relative random errors in concentration measurements, the diffusion cell method yields effective matrix diffusion coefficient estimates that have less uncertainty than the wafer method. However, the wafer method is easier and less costly to implement and yields estimates more quickly, thus allowing a greater number of samples to be analyzed for the same cost and time. Given the relatively good agreement between the methods, and the lack of any apparent bias between the methods, the diffusion wafer method appears to offer advantages over the diffusion cell method if better statistical representation of a given set of rock samples is desired.« less

[Validity of expired carbon monoxide and urine cotinine using dipstick method to assess smoking status].

PubMed

Park, Su San; Lee, Ju Yul; Cho, Sung-Il

2007-07-01

We investigated the validity of the dipstick method (Mossman Associates Inc. USA) and the expired CO method to distinguish between smokers and nonsmokers. We also elucidated the related factors of the two methods. This study included 244 smokers and 50 ex-smokers, recruited from smoking cessation clinics at 4 local public health centers, who had quit for over 4 weeks. We calculated the sensitivity, specificity and Kappa coefficient of each method for validity. We obtained ROC curve, predictive value and agreement to determine the cutoff of expired air CO method. Finally, we elucidated the related factors and compared their effect powers using the standardized regression coefficient. The dipstick method showed a sensitivity of 92.6%, specificity of 96.0% and Kappa coefficient of 0.79. The best cutoff value to distinguish smokers was 5-6 ppm. At 5 ppm, the expired CO method showed a sensitivity of 94.3%, specificity of 82.0% and Kappa coefficient of 0.73. And at 6 ppm, sensitivity, specificity and Kappa coefficient were 88.5%, 86.0% and 0.64, respectively. Therefore, the dipstick method had higher sensitivity and specificity than the expired CO method. The dipstick and expired CO methods were significantly increased with increasing smoking amount. With longer time since the last smoking, expired CO showed a rapid decrease after 4 hours, whereas the dipstick method showed relatively stable levels for more than 4 hours. The dipstick and expired CO methods were both good indicators for assessing smoking status. However, the former showed higher sensitivity and specificity and stable levels over longer hours after smoking, compared to the expired CO method.

40 CFR 799.6756 - TSCA partition coefficient (n-octanol/water), generator column method.

Code of Federal Regulations, 2013 CFR

2013-07-01

... method, or any other reliable quantitative procedure must be used for those compounds that do not absorb... any other reliable quantitative method, aqueous solutions from the generator column enter a collecting... Solubilities and Octanol-Water Partition Coefficients of Hydrophobic Substances,” Journal of Research of the...

40 CFR 799.6756 - TSCA partition coefficient (n-octanol/water), generator column method.

Code of Federal Regulations, 2014 CFR

2014-07-01

... method, or any other reliable quantitative procedure must be used for those compounds that do not absorb... any other reliable quantitative method, aqueous solutions from the generator column enter a collecting... Solubilities and Octanol-Water Partition Coefficients of Hydrophobic Substances,” Journal of Research of the...

A Simple Method for Calculating Clebsch-Gordan Coefficients

ERIC Educational Resources Information Center

Klink, W. H.; Wickramasekara, S.

2010-01-01

This paper presents a simple method for calculating Clebsch-Gordan coefficients for the tensor product of two unitary irreducible representations (UIRs) of the rotation group. The method also works for multiplicity-free irreducible representations appearing in the tensor product of any number of UIRs of the rotation group. The generalization to…

Simultaneous measurement of two enzyme activities using infrared spectroscopy: A comparative evaluation of PARAFAC, TUCKER and N-PLS modeling.

PubMed

Baum, Andreas; Hansen, Per Waaben; Meyer, Anne S; Mikkelsen, Jørn Dalgaard

2013-08-06

Enzymes are used in many processes to release fermentable sugars for green production of biofuel, or the refinery of biomass for extraction of functional food ingredients such as pectin or prebiotic oligosaccharides. The complex biomasses may, however, require a multitude of specific enzymes which are active on specific substrates generating a multitude of products. In this paper we use the plant polymer, pectin, to present a method to quantify enzyme activity of two pectolytic enzymes by monitoring their superimposed spectral evolutions simultaneously. The data is analyzed by three chemometric multiway methods, namely PARAFAC, TUCKER3 and N-PLS, to establish simultaneous enzyme activity assays for pectin lyase and pectin methyl esterase. Correlation coefficients Rpred(2) for prediction test sets are 0.48, 0.96 and 0.96 for pectin lyase and 0.70, 0.89 and 0.89 for pectin methyl esterase, respectively. The retrieved models are compared and prediction test sets show that especially TUCKER3 performs well, even in comparison to the supervised regression method N-PLS. Copyright © 2013 Elsevier B.V. All rights reserved.

Passive sampling methods for contaminated sediments: State of the science for organic contaminants

PubMed Central

Lydy, Michael J; Landrum, Peter F; Oen, Amy MP; Allinson, Mayumi; Smedes, Foppe; Harwood, Amanda D; Li, Huizhen; Maruya, Keith A; Liu, Jingfu

2014-01-01

This manuscript surveys the literature on passive sampler methods (PSMs) used in contaminated sediments to assess the chemical activity of organic contaminants. The chemical activity in turn dictates the reactivity and bioavailability of contaminants in sediment. Approaches to measure specific binding of compounds to sediment components, for example, amorphous carbon or specific types of reduced carbon, and the associated partition coefficients are difficult to determine, particularly for native sediment. Thus, the development of PSMs that represent the chemical activity of complex compound–sediment interactions, expressed as the freely dissolved contaminant concentration in porewater (Cfree), offer a better proxy for endpoints of concern, such as reactivity, bioaccumulation, and toxicity. Passive sampling methods have estimated Cfree using both kinetic and equilibrium operating modes and used various polymers as the sorbing phase, for example, polydimethylsiloxane, polyethylene, and polyoxymethylene in various configurations, such as sheets, coated fibers, or vials containing thin films. These PSMs have been applied in laboratory exposures and field deployments covering a variety of spatial and temporal scales. A wide range of calibration conditions exist in the literature to estimate Cfree, but consensus values have not been established. The most critical criteria are the partition coefficient between water and the polymer phase and the equilibrium status of the sampler. In addition, the PSM must not appreciably deplete Cfree in the porewater. Some of the future challenges include establishing a standard approach for PSM measurements, correcting for nonequilibrium conditions, establishing guidance for selection and implementation of PSMs, and translating and applying data collected by PSMs. Integr Environ Assess Manag 2014;10:167–178. © 2014 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals, Inc. on behalf of SETAC. PMID:24307344

Chromatographic determination of the diffusion coefficients of light hydrocarbons in polymers

NASA Astrophysics Data System (ADS)

Yakubenko, E. E.; Korolev, A. A.; Chapala, P. P.; Bermeshev, M. V.; Kanat'eva, A. Yu.; Kurganov, A. A.

2017-01-01

Gas-chromatographic determination of the diffusion coefficients that allows for the compressibility of the mobile phase has been suggested. The diffusion coefficients were determined for light hydrocarbons C1-C4 in four polymers with a high free volume, which are candidates for use as gas-separating membranes. The diffusion coefficients calculated from chromatographic data were shown to be one or two orders of magnitude smaller than the values obtained by the membrane method. This may be due to the presence of an additional flow through the membrane caused by the pressure gradient across the membrane in membrane methods.

Determination of rolling resistance coefficient based on normal tyre stiffness

NASA Astrophysics Data System (ADS)

Rykov, S. P.; Tarasuyk, V. N.; Koval, V. S.; Ovchinnikova, N. I.; Fedotov, A. I.; Fedotov, K. V.

2018-03-01

The purpose of the article is to develop analytical dependence of wheel rolling resistance coefficient based on the mathematical description of normal tyre stiffness. The article uses the methods of non-holonomic mechanics and plane section methods. The article shows that the abscissa of gravity center of tyre stiffness expansion by the length of the contact area is the shift of normal road response. It can be used for determining rolling resistance coefficient. When determining rolling resistance coefficient using ellipsis and power function equations, one can reduce labor costs for testing and increase assessment accuracy.

Predicting Salt Permeability Coefficients in Highly Swollen, Highly Charged Ion Exchange Membranes.

PubMed

Kamcev, Jovan; Paul, Donald R; Manning, Gerald S; Freeman, Benny D

2017-02-01

This study presents a framework for predicting salt permeability coefficients in ion exchange membranes in contact with an aqueous salt solution. The model, based on the solution-diffusion mechanism, was tested using experimental salt permeability data for a series of commercial ion exchange membranes. Equilibrium salt partition coefficients were calculated using a thermodynamic framework (i.e., Donnan theory), incorporating Manning's counterion condensation theory to calculate ion activity coefficients in the membrane phase and the Pitzer model to calculate ion activity coefficients in the solution phase. The model predicted NaCl partition coefficients in a cation exchange membrane and two anion exchange membranes, as well as MgCl 2 partition coefficients in a cation exchange membrane, remarkably well at higher external salt concentrations (>0.1 M) and reasonably well at lower external salt concentrations (<0.1 M) with no adjustable parameters. Membrane ion diffusion coefficients were calculated using a combination of the Mackie and Meares model, which assumes ion diffusion in water-swollen polymers is affected by a tortuosity factor, and a model developed by Manning to account for electrostatic effects. Agreement between experimental and predicted salt diffusion coefficients was good with no adjustable parameters. Calculated salt partition and diffusion coefficients were combined within the framework of the solution-diffusion model to predict salt permeability coefficients. Agreement between model and experimental data was remarkably good. Additionally, a simplified version of the model was used to elucidate connections between membrane structure (e.g., fixed charge group concentration) and salt transport properties.

Extending the Diffuse Layer Model of Surface Acidity Behavior: III. Estimating Bound Site Activity Coefficients

EPA Science Inventory

Although detailed thermodynamic analyses of the 2-pK diffuse layer surface complexation model generally specify bound site activity coefficients for the purpose of accounting for those non-ideal excess free energies contributing to bound site electrochemical potentials, in applic...

Activity Coefficients of Acetone-Chloroform Solutions: An Undergraduate Experiment. Undergraduate Experiment.

ERIC Educational Resources Information Center

Ozog, J. Z.; Morrison, J. A.

1983-01-01

Presents information, laboratory procedures, and results of an undergraduate experiment in which activity coefficients for a two-component liquid-vapor system are determined. Working in pairs, students can perform the experiment with 10 solutions in a given three-hour laboratory period. (Author/JN)

Prediction of mass transfer coefficients in non-Newtonian fermentation media using first-principles methods.

PubMed

Radl, Stefan; Khinast, Johannes G

2007-08-01

Bubble flows in non-Newtonian fluids were analyzed using first-principles methods with the aim to compute and predict mass transfer coefficients in such fermentation media. The method we used is a Direct Numerical Simulation (DNS) of the reactive multiphase flow with deformable boundaries and interfaces. With this method, we are able for the first time to calculate mass transfer coefficients in non-Newtonian liquids of different rheologies without any experimental data. In the current article, shear-thinning fluids are considered. However, the results provide the basis for further investigations, such as the study of viscoelastic fluids. (c) 2007 Wiley Periodicals, Inc.

40 CFR 53.34 - Test procedure for methods for PM10 and Class I methods for PM2.5.

Code of Federal Regulations, 2011 CFR

2011-07-01

... linear regression parameters (slope, intercept, and correlation coefficient) describing the relationship... correlation coefficient. (2) To pass the test for comparability, the slope, intercept, and correlation...

Determination of stream reaeration coefficients by use of tracers

USGS Publications Warehouse

Kilpatrick, F.A.; Rathbun, R.E.; Yotsukura, N.; Parker, G.W.; DeLong, L.L.

1987-01-01

Stream reaeration is the physical absorption of oxygen from the atmosphere by a flowing stream. This is the primary process by which a stream replenishes the oxygen consumed in the biodegradation of organic wastes.Prior to 1965, reaeration rate coefficients could be estimated only by indirect methods. In 1965, a direct method of measuring stream reaeration coefficients was developed in which a radioactive tracer gas was injected into a stream--the tracer gas being desorbed from the stream inversely to how oxygen would be absorbed. The technique has since been modified by substituting hydrocarbon gases for the radioactive tracer gas.This manual describes the slug-injection and constant-rate injection methods of performing gas-tracer desorption measurements. Emphasis is on the use of rhodamine WT dye as a relatively conservative tracer and propane as the nonconservative gas tracer, on planning field tests, methods of injection, sampling and analysis, and computational techniques to compute desorption and reaeration coefficients.

Numerical investigation of multi-beam laser heterodyne measurement with ultra-precision for linear expansion coefficient of metal based on oscillating mirror modulation

NASA Astrophysics Data System (ADS)

Li, Yan-Chao; Wang, Chun-Hui; Qu, Yang; Gao, Long; Cong, Hai-Fang; Yang, Yan-Ling; Gao, Jie; Wang, Ao-You

2011-01-01

This paper proposes a novel method of multi-beam laser heterodyne measurement for metal linear expansion coefficient. Based on the Doppler effect and heterodyne technology, the information is loaded of length variation to the frequency difference of the multi-beam laser heterodyne signal by the frequency modulation of the oscillating mirror, this method can obtain many values of length variation caused by temperature variation after the multi-beam laser heterodyne signal demodulation simultaneously. Processing these values by weighted-average, it can obtain length variation accurately, and eventually obtain the value of linear expansion coefficient of metal by the calculation. This novel method is used to simulate measurement for linear expansion coefficient of metal rod under different temperatures by MATLAB, the obtained result shows that the relative measurement error of this method is just 0.4%.

Prediction of Very High Reynolds Number Compressible Skin Friction

NASA Technical Reports Server (NTRS)

Carlson, John R.

1998-01-01

Flat plate skin friction calculations over a range of Mach numbers from 0.4 to 3.5 at Reynolds numbers from 16 million to 492 million using a Navier Stokes method with advanced turbulence modeling are compared with incompressible skin friction coefficient correlations. The semi-empirical correlation theories of van Driest; Cope; Winkler and Cha; and Sommer and Short T' are used to transform the predicted skin friction coefficients of solutions using two algebraic Reynolds stress turbulence models in the Navier-Stokes method PAB3D. In general, the predicted skin friction coefficients scaled well with each reference temperature theory though, overall the theory by Sommer and Short appeared to best collapse the predicted coefficients. At the lower Reynolds number 3 to 30 million, both the Girimaji and Shih, Zhu and Lumley turbulence models predicted skin-friction coefficients within 2% of the semi-empirical correlation skin friction coefficients. At the higher Reynolds numbers of 100 to 500 million, the turbulence models by Shih, Zhu and Lumley and Girimaji predicted coefficients that were 6% less and 10% greater, respectively, than the semi-empirical coefficients.

Determining the Viscosity Coefficient for Viscoelastic Wave Propagation in Rock Bars

NASA Astrophysics Data System (ADS)

Niu, Leilei; Zhu, Wancheng; Li, Shaohua; Guan, Kai

2018-05-01

Rocks with microdefects exhibit viscoelastic behavior during stress wave propagation. The viscosity coefficient of the wave can be used to characterize the attenuation as the wave propagates in rock. In this study, a long artificial bar with a readily adjustable viscosity coefficient was fabricated to investigate stress wave attenuation. The viscoelastic behavior of the artificial bar under dynamic loading was investigated, and the initial viscoelastic coefficient was obtained based on the amplitude attenuation of the incident harmonic wave. A one-dimensional wave propagation program was compiled to reproduce the time history of the stress wave measured during the experiments, and the program was well fitted to the Kelvin-Voigt model. The attenuation and dispersion of the stress wave in long artificial viscoelastic bars were quantified to accurately determine the viscoelastic coefficient. Finally, the method used to determine the viscoelastic coefficient of a long artificial bar based on the experiments and numerical simulations was extended to determine the viscoelastic coefficient of a short rock bar. This study provides a new method of determining the viscosity coefficient of rock.

Validity and reliability of the Physical Activity Scale for the Elderly (PASE) in Japanese elderly people.

PubMed

Hagiwara, Akiko; Ito, Naomi; Sawai, Kazuhiko; Kazuma, Keiko

2008-09-01

In Japan, there are no valid and reliable physical activity questionnaires for elderly people. In this study, we translated the Physical Activity Scale for the Elderly (PASE) into Japanese and assessed its validity and reliability. Three hundred and twenty-five healthy and elderly subjects over 65 years were enrolled. Concurrent validity was evaluated by Spearman's rank correlation coefficient between PASE scores and an accelerometer (waking steps and energy expenditure), a physical activity questionnaire for adults in general (the Japan Arteriosclerosis Longitudinal Study Physical Activity Questionnaire, JALSPAQ), grip strength, mid-thigh muscle area per bodyweight, static valance and bodyfat percentage. Reliability was evaluated by the test-retest method over a period of 3-4 weeks. The mean PASE score in this study was 114.9. The PASE score was significantly correlated with walking steps (rho = 0.17, P = 0.014), energy expenditure (rho = 0.16, P = 0.024), activity measured with the JALSPAQ (rho = 0.48, P < 0.001), mid-thigh muscle area per bodyweight (rho = 0.15, P = 0.006) and static balance (rho = 0.19, P = 0.001). The proportion of consistency in the response between the first and second surveys was adequately high. The intraclass correlation coefficient for the PASE score was 0.65. The Japanese version of PASE was shown to have acceptable validity and reliability. The PASE is useful to measure the physical activity of elderly people in Japan.

Diffusion in different models of active Brownian motion

NASA Astrophysics Data System (ADS)

Lindner, B.; Nicola, E. M.

2008-04-01

Active Brownian particles (ABP) have served as phenomenological models of self-propelled motion in biology. We study the effective diffusion coefficient of two one-dimensional ABP models (simplified depot model and Rayleigh-Helmholtz model) differing in their nonlinear friction functions. Depending on the choice of the friction function the diffusion coefficient does or does not attain a minimum as a function of noise intensity. We furthermore discuss the case of an additional bias breaking the left-right symmetry of the system. We show that this bias induces a drift and that it generally reduces the diffusion coefficient. For a finite range of values of the bias, both models can exhibit a maximum in the diffusion coefficient vs. noise intensity.

A new method to calculate unsteady particle kinematics and drag coefficient in a subsonic post-shock flow

NASA Astrophysics Data System (ADS)

Bordoloi, Ankur D.; Ding, Liuyang; Martinez, Adam A.; Prestridge, Katherine; Adrian, Ronald J.

2018-07-01

We introduce a new method (piecewise integrated dynamics equation fit, PIDEF) that uses the particle dynamics equation to determine unsteady kinematics and drag coefficient (C D) for a particle in subsonic post-shock flow. The uncertainty of this method is assessed based on simulated trajectories for both quasi-steady and unsteady flow conditions. Traditional piecewise polynomial fitting (PPF) shows high sensitivity to measurement error and the function used to describe C D, creating high levels of relative error (1) when applied to unsteady shock-accelerated flows. The PIDEF method provides reduced uncertainty in calculations of unsteady acceleration and drag coefficient for both quasi-steady and unsteady flows. This makes PIDEF a preferable method over PPF for complex flows where the temporal response of C D is unknown. We apply PIDEF to experimental measurements of particle trajectories from 8-pulse particle tracking and determine the effect of incident Mach number on relaxation kinematics and drag coefficient of micron-sized particles.

Ultrasound coefficient of nonlinearity imaging.

PubMed

van Sloun, Ruud; Demi, Libertario; Shan, Caifeng; Mischi, Massimo

2015-07-01

Imaging the acoustical coefficient of nonlinearity, β, is of interest in several healthcare interventional applications. It is an important feature that can be used for discriminating tissues. In this paper, we propose a nonlinearity characterization method with the goal of locally estimating the coefficient of nonlinearity. The proposed method is based on a 1-D solution of the nonlinear lossy Westerfelt equation, thereby deriving a local relation between β and the pressure wave field. Based on several assumptions, a β imaging method is then presented that is based on the ratio between the harmonic and fundamental fields, thereby reducing the effect of spatial amplitude variations of the speckle pattern. By testing the method on simulated ultrasound pressure fields and an in vitro B-mode ultrasound acquisition, we show that the designed algorithm is able to estimate the coefficient of nonlinearity, and that the tissue types of interest are well discriminable. The proposed imaging method provides a new approach to β estimation, not requiring a special measurement setup or transducer, that seems particularly promising for in vivo imaging.

Heat and mass transfer in unsteady rotating fluid flow with binary chemical reaction and activation energy.

PubMed

Awad, Faiz G; Motsa, Sandile; Khumalo, Melusi

2014-01-01

In this study, the Spectral Relaxation Method (SRM) is used to solve the coupled highly nonlinear system of partial differential equations due to an unsteady flow over a stretching surface in an incompressible rotating viscous fluid in presence of binary chemical reaction and Arrhenius activation energy. The velocity, temperature and concentration distributions as well as the skin-friction, heat and mass transfer coefficients have been obtained and discussed for various physical parametric values. The numerical results obtained by (SRM) are then presented graphically and discussed to highlight the physical implications of the simulations.

Heat and Mass Transfer in Unsteady Rotating Fluid Flow with Binary Chemical Reaction and Activation Energy

PubMed Central

Awad, Faiz G.; Motsa, Sandile; Khumalo, Melusi

2014-01-01

In this study, the Spectral Relaxation Method (SRM) is used to solve the coupled highly nonlinear system of partial differential equations due to an unsteady flow over a stretching surface in an incompressible rotating viscous fluid in presence of binary chemical reaction and Arrhenius activation energy. The velocity, temperature and concentration distributions as well as the skin-friction, heat and mass transfer coefficients have been obtained and discussed for various physical parametric values. The numerical results obtained by (SRM) are then presented graphically and discussed to highlight the physical implications of the simulations. PMID:25250830

Higher-order force moments of active particles

NASA Astrophysics Data System (ADS)

Nasouri, Babak; Elfring, Gwynn J.

2018-04-01

Active particles moving through fluids generate disturbance flows due to their activity. For simplicity, the induced flow field is often modeled by the leading terms in a far-field approximation of the Stokes equations, whose coefficients are the force, torque, and stresslet (zeroth- and first-order force moments) of the active particle. This level of approximation is quite useful, but may also fail to predict more complex behaviors that are observed experimentally. In this study, to provide a better approximation, we evaluate the contribution of the second-order force moments to the flow field and, by reciprocal theorem, present explicit formulas for the stresslet dipole, rotlet dipole, and potential dipole for an arbitrarily shaped active particle. As examples of this method, we derive modified Faxén laws for active spherical particles and resolve higher-order moments for active rod-like particles.

Biogas pre-upgrading by adsorption of trace compounds onto granular activated carbons and an activated carbon fiber-cloth.

PubMed

Boulinguiez, B; Le Cloirec, P

2009-01-01

The study assesses the adsorption onto activated carbon materials of selected volatile organic compounds -VOCs- (dichloromethane, 2-propanol, toluene, siloxane D4) in a biogas matrix composed of methane and carbon dioxide (55:45 v/v). Three different adsorbents are tested, two of them are granular activated carbon (GAC), and the last is an activated carbon fiber-cloth (ACFC). The adsorption isotherm data are fitted by different models by nonlinear regression. The Langmuir-Freundlich model appears to be the adequate one to describe the adsorption phenomena independently of the VOC considered or the adsorbent. The adsorbents present attractive adsorption capacity of the undesirable compounds in biogas atmosphere though the maximum adsorption capacities for a VOC are quite different from each other. The adsorption kinetics are characterized through three coefficients: the initial adsorption coefficient, the external film mass transfer coefficient and the internal diffusion coefficient of Weber. The ACFC demonstrates advanced kinetic yields compared to the granular activated carbon materials whatever VOC is considered. Therefore, pre-upgrading of biogas produced from wastewater sludge or co-digestion system by adsorption onto activated carbon appears worth investigating. Especially with ACFC material that presents correct adsorption capacities toward VOCs and concrete regeneration process opportunity to realize such process.

Reports of investigations on: Derivation of an infinite-dilution activity coefficient model and application to two-component vapor/liquid equilibria data: Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roper, V.P.; Kobayashi, R.

1988-02-01

Infinite-dilution fugacity coefficients were obtained for the system fluorene/phenanthrene at thirteen temperatures by fitting total pressure across the entire mole fraction range by a computer routine. A thermodynamically consistent routine, that allowed for both positive and negative pressure deviations from the ideal values, was used to correlate data over the full mole fraction range from 0 to 1. The four-suffix Margules activity coefficient model without modification essentially served this purpose since total pressures and total pressure derivatives with respect to mole fraction were negligible compared to pressure measurement precision. The water/ethanol system and binary systems comprised of aniline, chlorobenzene, acetonitrilemore » and other polar compounds were fit for total pressure across the entire mole fraction range for binary Vapor-Liquid-Equilbria (VLE) using the rigorous, thermodynamically consistent Gibbs-Duhem Relation derived by Ibl and Dodge. Data correlation was performed using a computer least squares procedure. Infinite-dilution fugacity coefficients were obtained using a modified Margules activity coefficient model.« less

[A comparative analysis of the brain activity during the traditional and intensive forms of learning foreign languages].

PubMed

Bykova, L G; Bazylev, V N

1994-01-01

By means of dichotic test the comparative research of the brain activity in dynamics in 84 adult students was conducted during their traditional (36 persons) and intensive (48 persons) learning of foreign languages. By different methods of learning the reliable distinction of the hemisphere's asymmetry was not detected. By both methods in the reliable majority of students the activation of the hemisphere opposite to the one dominating initially was observed. The correlation between the maximum quantitative shift of the right ear coefficient and the level of success in colloquial practice by the same initial level of language start and initial comparable size of memory was revealed. The authors discuss the possibility of the individual map composition for every student using the results of dichotic tests in dynamics for the help in the profession of a teacher.

Estimating terpene and terpenoid emissions from conifer oleoresin composition

NASA Astrophysics Data System (ADS)

Flores, Rosa M.; Doskey, Paul V.

2015-07-01

The following algorithm, which is based on the thermodynamics of nonelectrolyte partitioning, was developed to predict emission rates of terpenes and terpenoids from specific storage sites in conifers: Ei =xoriγoripi∘ where Ei is the emission rate (μg C gdw-1 h-1) and pi∘ is the vapor pressure (mm Hg) of the pure liquid terpene or terpenoid, respectively, and xori and γori are the mole fraction and activity coefficient (on a Raoult's law convention), respectively, of the terpene and terpenoid in the oleoresin. Activity coefficients are calculated with Hansen solubility parameters that account for dispersive, polar, and H-bonding interactions of the solutes with the oleoresin matrix. Estimates of pi∘ at 25 °C and molar enthalpies of vaporization are made with the SIMPOL.1 method and are used to estimate pi∘ at environmentally relevant temperatures. Estimated mixing ratios of terpenes and terpenols were comparatively higher above resin-acid- and monoterpene-rich oleoresins, respectively. The results indicated a greater affinity of terpenes and terpenols for the non-functionalized and carboxylic acid containing matrix through dispersive and H-bonding interactions, which are expressed in the emission algorithm by the activity coefficient. The correlation between measured emission rates of terpenes and terpenoids for Pinus strobus and emission rates predicted with the algorithm were very good (R = 0.95). Standard errors for the range and average of monoterpene emission rates were ±6 - ±86% and ±54%, respectively, and were similar in magnitude to reported standard deviations of monoterpene composition of foliar oils (±38 - ±51% and ±67%, respectively).

Research and Development of Methods for Estimating Physicochemical Properties of Organic Compounds of Environmental Concern

DTIC Science & Technology

1979-02-01

coefficient (at equilibrium) when hysteresis is apparent. 6. Coefficient n in Freundlich equation for 1/n soil or sediment adsorption isotherms ýX - KC . 7...Biodegradation Chemical structures cal clasaes (e.g., Diffusion Correlations phenols). General Diffusion coefficients Equations terms for organic...OF THE FATE AND TRANSPORT OF ORGANIC CHEMICALS Adsorption coefficients: K, n* from Freundlich equation + Desorption coefficients: K’*, n’* from

Selection of sorption material for tests of pesticide permeation through protective clothing fabrics.

PubMed

Krzemińska, Sylwia; Nazimek, Teresa

2004-01-01

The paper presents the results of studies on selecting a solid sorption material for absorbing liquid crop protection agents which permeate samples of protective clothing fabrics. The sorption materials were investigated and selected with an assumption that they should have a high recovery coefficient for biologically active substances, used as active ingredients in crop protection agents, at a presumed, acceptably high level. The selected substances were determined with a gas chromatograph equipped with an electron capture detector (dichlorvos, cypermethrin and 2,4-D) and a nitrogen-phosphorus detector (carbofuran). The tests demonstrated that polypropylene melt-blown type unwoven cloth had high recovery coefficients for all 4 active ingredients proposed for the study. The highest recovery coefficient, -.97, was obtained for carbofuran. The recovery coefficients obtained for the 3 remaining substances were lower: .89 for cypermethrin and 2,4-D, and .84 for dichlorvos.

Tubular fluoropolymer arrays with high piezoelectric response

NASA Astrophysics Data System (ADS)

Zhukov, Sergey; Eder-Goy, Dagmar; Biethan, Corinna; Fedosov, Sergey; Xu, Bai-Xiang; von Seggern, Heinz

2018-01-01

Polymers with electrically charged internal air cavities called ferroelectrets exhibit a pronounced piezoelectric effect and are regarded as soft functional materials suitable for sensor and actuator applications. In this work, a simple method for fabricating piezoelectret arrays with open-tubular channels is introduced. A set of individual fluoroethylenepropylene (FEP) tubes is compressed between two heated metal plates. The squeezed FEP tubes are melted together at +270 °C. The resulting structure is a uniform, multi-tubular, flat array that reveals a strong piezoelectric response after a poling step. The fabricated arrays have a high ratio between piezoelectrically active and non-active areas. The optimal charging voltage and stability of the piezoelectric coefficients with pressures and frequency were experimentally investigated for two specific array structures with wall thickness of 50 and 120 μm. The array fabricated from 50 μm thick FEP tubes reveals a stable and high piezoelectric coefficient of {d}33 = 120-160 pC N-1 with a flat frequency response between 0.1 Hz and 10 kHz for pressures between 1 and 100 kPa. An increase of wall thickness to 120 μm is accompanied by a more than twofold decrease in the piezoelectric coefficient as a result of a simultaneously higher effective array stiffness and lower remanent polarization. The obtained experimental results can be used to optimize the array design with regard to the electromechanical performance.

Sample size planning for composite reliability coefficients: accuracy in parameter estimation via narrow confidence intervals.

PubMed

Terry, Leann; Kelley, Ken

2012-11-01

Composite measures play an important role in psychology and related disciplines. Composite measures almost always have error. Correspondingly, it is important to understand the reliability of the scores from any particular composite measure. However, the point estimates of the reliability of composite measures are fallible and thus all such point estimates should be accompanied by a confidence interval. When confidence intervals are wide, there is much uncertainty in the population value of the reliability coefficient. Given the importance of reporting confidence intervals for estimates of reliability, coupled with the undesirability of wide confidence intervals, we develop methods that allow researchers to plan sample size in order to obtain narrow confidence intervals for population reliability coefficients. We first discuss composite reliability coefficients and then provide a discussion on confidence interval formation for the corresponding population value. Using the accuracy in parameter estimation approach, we develop two methods to obtain accurate estimates of reliability by planning sample size. The first method provides a way to plan sample size so that the expected confidence interval width for the population reliability coefficient is sufficiently narrow. The second method ensures that the confidence interval width will be sufficiently narrow with some desired degree of assurance (e.g., 99% assurance that the 95% confidence interval for the population reliability coefficient will be less than W units wide). The effectiveness of our methods was verified with Monte Carlo simulation studies. We demonstrate how to easily implement the methods with easy-to-use and freely available software. ©2011 The British Psychological Society.

The validity and reliability of an iPhone app for measuring vertical jump performance.

PubMed

Balsalobre-Fernández, Carlos; Glaister, Mark; Lockey, Richard Anthony

2015-01-01

The purpose of this investigation was to analyse the concurrent validity and reliability of an iPhone app (called: My Jump) for measuring vertical jump performance. Twenty recreationally active healthy men (age: 22.1 ± 3.6 years) completed five maximal countermovement jumps, which were evaluated using a force platform (time in the air method) and a specially designed iPhone app. My jump was developed to calculate the jump height from flight time using the high-speed video recording facility on the iPhone 5 s. Jump heights of the 100 jumps measured, for both devices, were compared using the intraclass correlation coefficient, Pearson product moment correlation coefficient (r), Cronbach's alpha (α), coefficient of variation and Bland-Altman plots. There was almost perfect agreement between the force platform and My Jump for the countermovement jump height (intraclass correlation coefficient = 0.997, P < 0.001; Bland-Altman bias = 1.1 ± 0.5 cm, P < 0.001). In comparison with the force platform, My Jump showed good validity for the CMJ height (r = 0.995, P < 0.001). The results of the present study showed that CMJ height can be easily, accurately and reliably evaluated using a specially developed iPhone 5 s app.

Differentiating the Bishop ash bed and related tephra layers by elemental-based similarity coefficients of volcanic glass shards using solution inductively coupled plasma-mass spectrometry (S-ICP-MS)

USGS Publications Warehouse

Knott, J.R.; Sarna-Wojcicki, A. M.; Montanez, I.P.; Wan, E.

2007-01-01

Volcanic glass samples from the same volcanic center (intra-source) often have a similar major-element composition. Thus, it can be difficult to distinguish between individual tephra layers, particularly when using similarity coefficients calculated from electron microprobe major-element measurements. Minor/trace element concentrations in glass can be determined by solution inductively coupled plasma mass spectrometry (S-ICP-MS), but have not been shown as suitable for use in large tephrochronologic databases. Here, we present minor/trace-element concentrations measured by S-ICP-MS and compare these data by similarity coefficients, the method commonly used in large databases. Trial samples from the Bishop Tuff, the upper and lower tuffs of Glass Mountain and the tuffs of Mesquite Spring suites from eastern California, USA, which have an indistinguishable major-element composition, were analyzed using S-ICP-MS. The resulting minor/trace element similarity coefficients clearly separated the suites of tephra layers and, in most cases, individual tephra layers within each suite. Comparisons with previous instrumental neutron activation analysis (INAA) elemental measurements were marginally successful. This is important step toward quantitative correlation in large tephrochronologic databases to achieve definitive identification of volcanic glass samples and for high-resolution age determinations. ?? 2007 Elsevier Ltd and INQUA.

Determination of Diffusion Coefficients in Cement-Based Materials: An Inverse Problem for the Nernst-Planck and Poisson Models

NASA Astrophysics Data System (ADS)

Szyszkiewicz-Warzecha, Krzysztof; Jasielec, Jerzy J.; Fausek, Janusz; Filipek, Robert

2016-08-01

Transport properties of ions have significant impact on the possibility of rebars corrosion thus the knowledge of a diffusion coefficient is important for reinforced concrete durability. Numerous tests for the determination of diffusion coefficients have been proposed but analysis of some of these tests show that they are too simplistic or even not valid. Hence, more rigorous models to calculate the coefficients should be employed. Here we propose the Nernst-Planck and Poisson equations, which take into account the concentration and electric potential field. Based on this model a special inverse method is presented for determination of a chloride diffusion coefficient. It requires the measurement of concentration profiles or flux on the boundary and solution of the NPP model to define the goal function. Finding the global minimum is equivalent to the determination of diffusion coefficients. Typical examples of the application of the presented method are given.

In-situ measurement of electroosmotic drag coefficient in Nafion membrane for the PEMFC.

PubMed

Peng, Zhe; Morin, Arnaud; Huguet, Patrice; Schott, Pascal; Pauchet, Joël

2011-11-10

A new method based on hydrogen pump has been developed to measure the electroosmotic drag coefficient in representative PEMFC operating conditions. It allows eliminating the back-flow of water which leads to some errors in the calculation of this coefficient with previously reported electrochemical methods. Measurements have been performed on 50 μm thick Nafion membranes both extruded and recast. Contrary to what has been described in most of previous published works, the electroosmotic drag coefficient decreases as the membrane water content increases. The same trend is observed for temperatures between 25 and 80 °C. For the same membrane water content, the electroosmotic drag coefficient increases with temperature. In the same condition, there is no difference in drag coefficient for extruded Nafion N112 and recast Nafion NRE212. These results are discussed on the basis of the two commonly accepted proton transport mechanisms, namely, Grotthus and vehicular.

Effective diffusion coefficient including the Marangoni effect

NASA Astrophysics Data System (ADS)

Kitahata, Hiroyuki; Yoshinaga, Natsuhiko

2018-04-01

Surface-active molecules supplied from a particle fixed at the water surface create a spatial gradient of the molecule concentration, resulting in Marangoni convection. Convective flow transports the molecules far from the particle, enhancing diffusion. We analytically derive the effective diffusion coefficient associated with the Marangoni convection rolls. The resulting estimated effective diffusion coefficient is consistent with our numerical results and the apparent diffusion coefficient measured in experiments.

Study of flutter related computational procedures for minimum weight structural sizing of advanced aircraft, supplemental data

NASA Technical Reports Server (NTRS)

Oconnell, R. F.; Hassig, H. J.; Radovcich, N. A.

1975-01-01

Computational aspects of (1) flutter optimization (minimization of structural mass subject to specified flutter requirements), (2) methods for solving the flutter equation, and (3) efficient methods for computing generalized aerodynamic force coefficients in the repetitive analysis environment of computer-aided structural design are discussed. Specific areas included: a two-dimensional Regula Falsi approach to solving the generalized flutter equation; method of incremented flutter analysis and its applications; the use of velocity potential influence coefficients in a five-matrix product formulation of the generalized aerodynamic force coefficients; options for computational operations required to generate generalized aerodynamic force coefficients; theoretical considerations related to optimization with one or more flutter constraints; and expressions for derivatives of flutter-related quantities with respect to design variables.

Limb and gravity-darkening coefficients for the TESS satellite at several metallicities, surface gravities, and microturbulent velocities

NASA Astrophysics Data System (ADS)

Claret, A.

2017-04-01

Aims: We present new gravity and limb-darkening coefficients for a wide range of effective temperatures, gravities, metallicities, and microturbulent velocities. These coefficients can be used in many different fields of stellar physics as synthetic light curves of eclipsing binaries and planetary transits, stellar diameters, line profiles in rotating stars, and others. Methods: The limb-darkening coefficients were computed specifically for the photometric system of the space mission tess and were performed by adopting the least-square method. In addition, the linear and bi-parametric coefficients, by adopting the flux conservation method, are also available. On the other hand, to take into account the effects of tidal and rotational distortions, we computed the passband gravity-darkening coefficients y(λ) using a general differential equation in which we consider the effects of convection and of the partial derivative (∂lnI(λ) /∂lng)Teff. Results: To generate the limb-darkening coefficients we adopt two stellar atmosphere models: atlas (plane-parallel) and phoenix (spherical, quasi-spherical, and r-method). The specific intensity distribution was fitted using five approaches: linear, quadratic, square root, logarithmic, and a more general one with four terms. These grids cover together 19 metallicities ranging from 10-5 up to 10+1 solar abundances, 0 ≤ log g ≤ 6.0 and 1500 K ≤Teff ≤ 50 000 K. The calculations of the gravity-darkening coefficients were performed for all plane-parallel ATLAS models. Tables 2-29 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/600/A30

Application of the compensated Arrhenius formalism to self-diffusion: implications for ionic conductivity and dielectric relaxation.

PubMed

Petrowsky, Matt; Frech, Roger

2010-07-08

Self-diffusion coefficients are measured from -5 to 80 degrees C in a series of linear alcohols using pulsed field gradient NMR. The temperature dependence of these data is studied using a compensated Arrhenius formalism that assumes an Arrhenius-like expression for the diffusion coefficient; however, this expression includes a dielectric constant dependence in the exponential prefactor. Scaling temperature-dependent diffusion coefficients to isothermal diffusion coefficients so that the exponential prefactors cancel results in calculated energies of activation E(a). The exponential prefactor is determined by dividing the temperature-dependent diffusion coefficients by the Boltzmann term exp(-E(a)/RT). Plotting the prefactors versus the dielectric constant places the data on a single master curve. This procedure is identical to that previously used to study the temperature dependence of ionic conductivities and dielectric relaxation rate constants. The energies of activation determined from self-diffusion coefficients in the series of alcohols are strikingly similar to those calculated for the same series of alcohols from both dielectric relaxation rate constants and ionic conductivities of dilute electrolytes. The experimental results are described in terms of an activated transport mechanism that is mediated by relaxation of the solution molecules. This microscopic picture of transport is postulated to be common to diffusion, dielectric relaxation, and ionic transport.

Cascade flutter analysis with transient response aerodynamics

NASA Technical Reports Server (NTRS)

Bakhle, Milind A.; Mahajan, Aparajit J.; Keith, Theo G., Jr.; Stefko, George L.

1991-01-01

Two methods for calculating linear frequency domain aerodynamic coefficients from a time marching Full Potential cascade solver are developed and verified. In the first method, the Influence Coefficient, solutions to elemental problems are superposed to obtain the solutions for a cascade in which all blades are vibrating with a constant interblade phase angle. The elemental problem consists of a single blade in the cascade oscillating while the other blades remain stationary. In the second method, the Pulse Response, the response to the transient motion of a blade is used to calculate influence coefficients. This is done by calculating the Fourier Transforms of the blade motion and the response. Both methods are validated by comparison with the Harmonic Oscillation method and give accurate results. The aerodynamic coefficients obtained from these methods are used for frequency domain flutter calculations involving a typical section blade structural model. An eigenvalue problem is solved for each interblade phase angle mode and the eigenvalues are used to determine aeroelastic stability. Flutter calculations are performed for two examples over a range of subsonic Mach numbers.

Estimation of cesium ion exchange distribution coefficients for concentrated electrolytic solutions when using crystalline silicotitanates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Z.; Gu, D.; Anthony, R.G.

1995-06-01

Polzer et al.`s method combined with Bromley`s method for estimating activity coefficients and a Langmuir isotherm for cesium in a simple simulated waste solution containing 5.1 M NaNO{sub 3} and 0.6 M NaOH was used to estimate distribution coefficients for cesium in a complex simulated waste solution characteristic of the radioactive tank wastes at Hanford and other US Department of energy sites. The ion exchange material was a hydrous sodium crystalline silicotitanate, labeled TAM-5, which is being developed by Texas A and M University, Sandia National Laboratories, and UOP Associates. Cesium distribution coefficients collected by Bray et al. on amore » NCAW simulated waste solution were predicted with deviations of less than 25% for solutions containing 1 M, 3 M, and 5 M Na{sup +} and Na:Cs ratios of 10{sup 3}--10{sup 8}. The deviations were less than 5% for the solutions with 1 M Na{sup +}. Cesium distribution coefficients were also predicted and compared with values measured by Egan et al. for TAM-5 and for a storage tank supernate and a newly generated waste solution. Excellent results were obtained for the newly generated waste simulated solution, which did not contain potassium or rubidium.The predictions for the other simulated waste solution were significantly greater than the measured values, because of the presence of large concentrations of potassium or rubidium. The effect of competitive ion exchange between Cs, Rb, and K was not included in the theory. However, the effect of competitive ion exchange between Cs, Rb, and K was not included in the theory. However, the effect of competitive exchange of Cs, Rb, and K appears to be greater for the Oak Ridge simulated waste solution than for the NCAW waste.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dierauf, Timothy; Kurtz, Sarah; Riley, Evan

This paper provides a recommended method for evaluating the AC capacity of a photovoltaic (PV) generating station. It also presents companion guidance on setting the facilitys capacity guarantee value. This is a principles-based approach that incorporates plant fundamental design parameters such as loss factors, module coefficients, and inverter constraints. This method has been used to prove contract guarantees for over 700 MW of installed projects. The method is transparent, and the results are deterministic. In contrast, current industry practices incorporate statistical regression where the empirical coefficients may only characterize the collected data. Though these methods may work well when extrapolationmore » is not required, there are other situations where the empirical coefficients may not adequately model actual performance.This proposed Fundamentals Approach method provides consistent results even where regression methods start to lose fidelity.« less

Discrimination of Active and Weakly Active Human BACE1 Inhibitors Using Self-Organizing Map and Support Vector Machine.

PubMed

Li, Hang; Wang, Maolin; Gong, Ya-Nan; Yan, Aixia

2016-01-01

β-secretase (BACE1) is an aspartyl protease, which is considered as a novel vital target in Alzheimer`s disease therapy. We collected a data set of 294 BACE1 inhibitors, and built six classification models to discriminate active and weakly active inhibitors using Kohonen's Self-Organizing Map (SOM) method and Support Vector Machine (SVM) method. Each molecular descriptor was calculated using the program ADRIANA.Code. We adopted two different methods: random method and Self-Organizing Map method, for training/test set split. The descriptors were selected by F-score and stepwise linear regression analysis. The best SVM model Model2C has a good prediction performance on test set with prediction accuracy, sensitivity (SE), specificity (SP) and Matthews correlation coefficient (MCC) of 89.02%, 90%, 88%, 0.78, respectively. Model 1A is the best SOM model, whose accuracy and MCC of the test set were 94.57% and 0.98, respectively. The lone pair electronegativity and polarizability related descriptors importantly contributed to bioactivity of BACE1 inhibitor. The Extended-Connectivity Finger-Prints_4 (ECFP_4) analysis found some vitally key substructural features, which could be helpful for further drug design research. The SOM and SVM models built in this study can be obtained from the authors by email or other contacts.

New type side weir discharge coefficient simulation using three novel hybrid adaptive neuro-fuzzy inference systems

NASA Astrophysics Data System (ADS)

Bonakdari, Hossein; Zaji, Amir Hossein

2018-03-01

In many hydraulic structures, side weirs have a critical role. Accurately predicting the discharge coefficient is one of the most important stages in the side weir design process. In the present paper, a new high efficient side weir is investigated. To simulate the discharge coefficient of these side weirs, three novel soft computing methods are used. The process includes modeling the discharge coefficient with the hybrid Adaptive Neuro-Fuzzy Interface System (ANFIS) and three optimization algorithms, namely Differential Evaluation (ANFIS-DE), Genetic Algorithm (ANFIS-GA) and Particle Swarm Optimization (ANFIS-PSO). In addition, sensitivity analysis is done to find the most efficient input variables for modeling the discharge coefficient of these types of side weirs. According to the results, the ANFIS method has higher performance when using simpler input variables. In addition, the ANFIS-DE with RMSE of 0.077 has higher performance than the ANFIS-GA and ANFIS-PSO methods with RMSE of 0.079 and 0.096, respectively.

Analysis of vibration waveforms of electromechanical response to determine piezoelectric and electrostrictive coefficients.

PubMed

Izumi, Tatsuya; Hagiwara, Manabu; Hoshina, Takuya; Takeda, Hiroaki; Tsurumi, Takaaki

2012-08-01

We developed a possible method to determine both coefficients of piezoelectricity (d) and electrostriction (M) at the same time by a waveform analysis of current and vibration velocity in the resonance state. The waveforms of the current and vibration velocity were theoretically described using the equations of motion and piezoelectric constitutive equations, considering the dissipation effect. The dissipation factor of the d coefficient and M coefficient is dielectric loss tangent tan δ. The waveforms measured in all of the ceramics, such as Pb(Zr,Ti)O(3) (PZT), Pb(Mg,Nb)O(3) (PMN), and 0.8Pb(Mg(1/3)Nb2/3)O(3)-0.2PbTiO(3) (PMN-PT), were well fitted with the calculated waveform. This fitting produced both the d and M coefficients, which agreed with those determined via the conventional methods. Moreover, the respective contributions of both piezoelectricity and electrostriction to the d value determined in the resonance-antiresonance method were clarified.

Development of a New Method to Investigate the Dynamic Friction Behavior of Interfaces Using a Kolsky Tension Bar

DOE PAGES

Sanborn, B.; Song, B.; Nishida, E.

2017-11-02

In order to understand interfacial interaction of a bi-material during an impact loading event, the dynamic friction coefficient is one of the key parameters that must be characterized and quantified. In this study, a new experimental method to determine the dynamic friction coefficient between two metals was developed by using a Kolsky tension bar and a custom-designed friction fixture. Polyvinylidene fluoride (PVDF) force sensors were used to measure the normal force applied to the friction tribo pairs and the friction force was measured with conventional Kolsky tension bar method. To evaluate the technique, the dynamic friction coefficient between 4340 steelmore » and 7075-T6 aluminum was investigated at an impact speed of approximately 8 m/s. Additionally, the dynamic friction coefficient of the tribo pairs with varied surface roughness was also investigated. The data suggest that higher surface roughness leads to higher friction coefficients at the same speed of 8 m/s.« less

Image segmentation algorithm based on improved PCNN

NASA Astrophysics Data System (ADS)

Chen, Hong; Wu, Chengdong; Yu, Xiaosheng; Wu, Jiahui

2017-11-01

A modified simplified Pulse Coupled Neural Network (PCNN) model is proposed in this article based on simplified PCNN. Some work have done to enrich this model, such as imposing restrictions items of the inputs, improving linking inputs and internal activity of PCNN. A self-adaptive parameter setting method of linking coefficient and threshold value decay time constant is proposed here, too. At last, we realized image segmentation algorithm for five pictures based on this proposed simplified PCNN model and PSO. Experimental results demonstrate that this image segmentation algorithm is much better than method of SPCNN and OTSU.

Active zinc-blende III-nitride photonic structures on silicon

NASA Astrophysics Data System (ADS)

Sergent, Sylvain; Kako, Satoshi; Bürger, Matthias; Blumenthal, Sarah; Iwamoto, Satoshi; As, Donat Josef; Arakawa, Yasuhiko

2016-01-01

We use a layer transfer method to fabricate free-standing photonic structures in a zinc-blende AlN epilayer grown by plasma-assisted molecular beam epitaxy on a 3C-SiC pseudosubstrate and containing GaN quantum dots. The method leads to the successful realization of microdisks, nanobeam photonic crystal cavities, and waveguides integrated on silicon (100) and operating at short wavelengths. We assess the quality of such photonic elements by micro-photoluminescence spectroscopy in the visible and ultraviolet ranges, and extract the absorption coefficient of ZB AlN membranes (α ˜ (2-5) × 102 cm-1).

Description of bioremediation of soils using the model of a multistep system of microorganisms

NASA Astrophysics Data System (ADS)

Lubysheva, A. I.; Potashev, K. A.; Sofinskaya, O. A.

2018-01-01

The paper deals with the development of a mathematical model describing the interaction of a multi-step system of microorganisms in soil polluted with oil products. Each step in this system uses products of vital activity of the previous step to feed. Six different models of the multi-step system are considered. The equipping of the models with coefficients was carried out from the condition of minimizing the residual of the calculated and experimental data using an original algorithm based on the Levenberg-Marquardt method in combination with the Monte Carlo method for the initial approximation finding.

Reduction of the uncertainty due to fissile clusters in radioactive waste characterization with the Differential Die-away Technique

NASA Astrophysics Data System (ADS)

Antoni, R.; Passard, C.; Perot, B.; Guillaumin, F.; Mazy, C.; Batifol, M.; Grassi, G.

2018-07-01

AREVA NC is preparing to process, characterize and compact old used fuel metallic waste stored at La Hague reprocessing plant in view of their future storage ("Haute Activité Oxyde" HAO project). For a large part of these historical wastes, the packaging is planned in CSD-C canisters ("Colis Standard de Déchets Compacté s") in the ACC hulls and nozzles compaction facility ("Atelier de Compactage des Coques et embouts"). . This paper presents a new method to take into account the possible presence of fissile material clusters, which may have a significant impact in the active neutron interrogation (Differential Die-away Technique) measurement of the CSD-C canisters, in the industrial neutron measurement station "P2-2". A matrix effect correction has already been investigated to predict the prompt fission neutron calibration coefficient (which provides the fissile mass) from an internal "drum flux monitor" signal provided during the active measurement by a boron-coated proportional counter located in the measurement cavity, and from a "drum transmission signal" recorded in passive mode by the detection blocks, in presence of an AmBe point source in the measurement cell. Up to now, the relationship between the calibration coefficient and these signals was obtained from a factorial design that did not consider the potential for occurrence of fissile material clusters. The interrogative neutron self-shielding in these clusters was treated separately and resulted in a penalty coefficient larger than 20% to prevent an underestimation of the fissile mass within the drum. In this work, we have shown that the incorporation of a new parameter in the factorial design, representing the fissile mass fraction in these clusters, provides an alternative to the penalty coefficient. This new approach finally does not degrade the uncertainty of the original prediction, which was calculated without taking into consideration the possible presence of clusters. Consequently, the accuracy of the fissile mass assessment is improved by this new method, and this last should be extended to similar DDT measurement stations of larger drums, also using an internal monitor for matrix effect correction.

Wavelet-based localization of oscillatory sources from magnetoencephalography data.

PubMed

Lina, J M; Chowdhury, R; Lemay, E; Kobayashi, E; Grova, C

2014-08-01

Transient brain oscillatory activities recorded with Eelectroencephalography (EEG) or magnetoencephalography (MEG) are characteristic features in physiological and pathological processes. This study is aimed at describing, evaluating, and illustrating with clinical data a new method for localizing the sources of oscillatory cortical activity recorded by MEG. The method combines time-frequency representation and an entropic regularization technique in a common framework, assuming that brain activity is sparse in time and space. Spatial sparsity relies on the assumption that brain activity is organized among cortical parcels. Sparsity in time is achieved by transposing the inverse problem in the wavelet representation, for both data and sources. We propose an estimator of the wavelet coefficients of the sources based on the maximum entropy on the mean (MEM) principle. The full dynamics of the sources is obtained from the inverse wavelet transform, and principal component analysis of the reconstructed time courses is applied to extract oscillatory components. This methodology is evaluated using realistic simulations of single-trial signals, combining fast and sudden discharges (spike) along with bursts of oscillating activity. The method is finally illustrated with a clinical application using MEG data acquired on a patient with a right orbitofrontal epilepsy.

A new feature extraction method for signal classification applied to cord dorsum potentials detection

PubMed Central

Vidaurre, D.; Rodríguez, E. E.; Bielza, C.; Larrañaga, P.; Rudomin, P.

2012-01-01

In the spinal cord of the anesthetized cat, spontaneous cord dorsum potentials (CDPs) appear synchronously along the lumbo-sacral segments. These CDPs have different shapes and magnitudes. Previous work has indicated that some CDPs appear to be specially associated with the activation of spinal pathways that lead to primary afferent depolarization and presynaptic inhibition. Visual detection and classification of these CDPs provides relevant information on the functional organization of the neural networks involved in the control of sensory information and allows the characterization of the changes produced by acute nerve and spinal lesions. We now present a novel feature extraction approach for signal classification, applied to CDP detection. The method is based on an intuitive procedure. We first remove by convolution the noise from the CDPs recorded in each given spinal segment. Then, we assign a coefficient for each main local maximum of the signal using its amplitude and distance to the most important maximum of the signal. These coefficients will be the input for the subsequent classification algorithm. In particular, we employ gradient boosting classification trees. This combination of approaches allows a faster and more accurate discrimination of CDPs than is obtained by other methods. PMID:22929924

A new feature extraction method for signal classification applied to cord dorsum potential detection.

PubMed

Vidaurre, D; Rodríguez, E E; Bielza, C; Larrañaga, P; Rudomin, P

2012-10-01

In the spinal cord of the anesthetized cat, spontaneous cord dorsum potentials (CDPs) appear synchronously along the lumbo-sacral segments. These CDPs have different shapes and magnitudes. Previous work has indicated that some CDPs appear to be specially associated with the activation of spinal pathways that lead to primary afferent depolarization and presynaptic inhibition. Visual detection and classification of these CDPs provides relevant information on the functional organization of the neural networks involved in the control of sensory information and allows the characterization of the changes produced by acute nerve and spinal lesions. We now present a novel feature extraction approach for signal classification, applied to CDP detection. The method is based on an intuitive procedure. We first remove by convolution the noise from the CDPs recorded in each given spinal segment. Then, we assign a coefficient for each main local maximum of the signal using its amplitude and distance to the most important maximum of the signal. These coefficients will be the input for the subsequent classification algorithm. In particular, we employ gradient boosting classification trees. This combination of approaches allows a faster and more accurate discrimination of CDPs than is obtained by other methods.

A study of the threshold method utilizing raingage data

NASA Technical Reports Server (NTRS)

Short, David A.; Wolff, David B.; Rosenfeld, Daniel; Atlas, David

1993-01-01

The threshold method for estimation of area-average rain rate relies on determination of the fractional area where rain rate exceeds a preset level of intensity. Previous studies have shown that the optimal threshold level depends on the climatological rain-rate distribution (RRD). It has also been noted, however, that the climatological RRD may be composed of an aggregate of distributions, one for each of several distinctly different synoptic conditions, each having its own optimal threshold. In this study, the impact of RRD variations on the threshold method is shown in an analysis of 1-min rainrate data from a network of tipping-bucket gauges in Darwin, Australia. Data are analyzed for two distinct regimes: the premonsoon environment, having isolated intense thunderstorms, and the active monsoon rains, having organized convective cell clusters that generate large areas of stratiform rain. It is found that a threshold of 10 mm/h results in the same threshold coefficient for both regimes, suggesting an alternative definition of optimal threshold as that which is least sensitive to distribution variations. The observed behavior of the threshold coefficient is well simulated by assumption of lognormal distributions with different scale parameters and same shape parameters.

Research study on high energy radiation effect and environment solar cell degradation methods

NASA Technical Reports Server (NTRS)

Horne, W. E.; Wilkinson, M. C.

1974-01-01

The most detailed and comprehensively verified analytical model was used to evaluate the effects of simplifying assumptions on the accuracy of predictions made by the external damage coefficient method. It was found that the most serious discrepancies were present in heavily damaged cells, particularly proton damaged cells, in which a gradient in damage across the cell existed. In general, it was found that the current damage coefficient method tends to underestimate damage at high fluences. An exception to this rule was thick cover-slipped cells experiencing heavy degradation due to omnidirectional electrons. In such cases, the damage coefficient method overestimates the damage. Comparisons of degradation predictions made by the two methods and measured flight data confirmed the above findings.

A fast collocation method for a variable-coefficient nonlocal diffusion model

NASA Astrophysics Data System (ADS)

Wang, Che; Wang, Hong

2017-02-01

We develop a fast collocation scheme for a variable-coefficient nonlocal diffusion model, for which a numerical discretization would yield a dense stiffness matrix. The development of the fast method is achieved by carefully handling the variable coefficients appearing inside the singular integral operator and exploiting the structure of the dense stiffness matrix. The resulting fast method reduces the computational work from O (N3) required by a commonly used direct solver to O (Nlog ⁡ N) per iteration and the memory requirement from O (N2) to O (N). Furthermore, the fast method reduces the computational work of assembling the stiffness matrix from O (N2) to O (N). Numerical results are presented to show the utility of the fast method.

Development of monoclonal antibody-based sandwich ELISA for detection of dextran.

PubMed

Wang, Sheng-Yu; Li, Zhe; Wang, Xian-Jiang; Lv, Sha; Yang, Yun; Zeng, Lian-Qiang; Luo, Fang-Hong; Yan, Jiang-Hua; Liang, Da-Feng

2014-10-01

Dextran as anti-nutritional factor is usually a result of bacteria activity and has associated serial problems during the process stream in the sugar industry and in medical therapy. A sensitive method is expected to detect dextran quantitatively. Here we generated four monoclonal antibodies (MAbs) against dextran using dextran T40 conjugated with bovine serum albumin (BSA) as immunogen in our lab following hybridoma protocol. Through pairwise, an MAb named D24 was determined to be conjugated with horseradish peroxidase (HRP) and was used in the establishment of a sensitive sandwich enzyme-linked immunosorbent assay (ELISA) method for determination of dextran, in which MAb D9 was chosen as a capture antibody. The detection limit and working scope of the developed sandwich ELISA method were 3.9 ng/mL and 7.8-500 ng/mL with a correlation coefficient of 0.9909. In addition, the cross-reaction assay demonstrated that the method possessed high specificity with no significant cross-reaction with dextran-related substances, and the recovery rate ranged from 96.35 to 102.00%, with coefficient of variation ranging from 1.58 to 6.94%. These results indicated that we developed a detection system of MAb-based sandwich ELISA to measure dextran and this system should be a potential tool to determine dextran levels.

Estimation of medium effects on equilibrium constants in moderate and high ionic strength solutions at elevated temperatures by using specific interaction theory (SIT): Interaction coefficients involving Cl, OH- and Ac- up to 200°C and 400 bars

PubMed Central

Xiong, Yongliang

2006-01-01

In this study, a series of interaction coefficients of the Brønsted-Guggenheim-Scatchard specific interaction theory (SIT) have been estimated up to 200°C and 400 bars. The interaction coefficients involving Cl- estimated include ε(H+, Cl-), ε(Na+, Cl-), ε(Ag+, Cl-), ε(Na+, AgCl2 -), ε(Mg2+, Cl-), ε(Ca2+, Cl-), ε(Sr2+, Cl-), ε(Ba2+, Cl-), ε(Sm3+, Cl-), ε(Eu3+, Cl-), ε(Gd3+, Cl-), and ε(GdAc2+, Cl-). The interaction coefficients involving OH- estimated include ε(Li+, OH-), ε(K+, OH-), ε(Na+, OH-), ε(Cs+, OH-), ε(Sr2+, OH-), and ε(Ba2+, OH-). In addition, the interaction coefficients of ε(Na+, Ac-) and ε(Ca2+, Ac-) have also been estimated. The bulk of interaction coefficients presented in this study has been evaluated from the mean activity coefficients. A few of them have been estimated from the potentiometric and solubility studies. The above interaction coefficients are tested against both experimental mean activity coefficients and equilibrium quotients. Predicted mean activity coefficients are in satisfactory agreement with experimental data. Predicted equilibrium quotients are in very good agreement with experimental values. Based upon its relatively rapid attainment of equilibrium and the ease of determining magnesium concentrations, this study also proposes that the solubility of brucite can be used as a pH (pcH) buffer/sensor for experimental systems in NaCl solutions up to 200°C by employing the predicted solubility quotients of brucite in conjunction with the dissociation quotients of water and the first hydrolysis quotients of Mg2+, all in NaCl solutions. PMID:16759370

[Hydrologic variability and sensitivity based on Hurst coefficient and Bartels statistic].

PubMed

Lei, Xu; Xie, Ping; Wu, Zi Yi; Sang, Yan Fang; Zhao, Jiang Yan; Li, Bin Bin

2018-04-01

Due to the global climate change and frequent human activities in recent years, the pure stochastic components of hydrological sequence is mixed with one or several of the variation ingredients, including jump, trend, period and dependency. It is urgently needed to clarify which indices should be used to quantify the degree of their variability. In this study, we defined the hydrological variability based on Hurst coefficient and Bartels statistic, and used Monte Carlo statistical tests to test and analyze their sensitivity to different variants. When the hydrological sequence had jump or trend variation, both Hurst coefficient and Bartels statistic could reflect the variation, with the Hurst coefficient being more sensitive to weak jump or trend variation. When the sequence had period, only the Bartels statistic could detect the mutation of the sequence. When the sequence had a dependency, both the Hurst coefficient and the Bartels statistics could reflect the variation, with the latter could detect weaker dependent variations. For the four variations, both the Hurst variability and Bartels variability increased with the increases of variation range. Thus, they could be used to measure the variation intensity of the hydrological sequence. We analyzed the temperature series of different weather stations in the Lancang River basin. Results showed that the temperature of all stations showed the upward trend or jump, indicating that the entire basin had experienced warming in recent years and the temperature variability in the upper and lower reaches was much higher. This case study showed the practicability of the proposed method.

Raman Spectroscopy of Isotopic Water Diffusion in Ultraviscous, Glassy, and Gel States in Aerosol by Use of Optical Tweezers.

PubMed

Davies, James F; Wilson, Kevin R

2016-02-16

The formation of ultraviscous, glassy, and amorphous gel states in aqueous aerosol following the loss of water results in nonequilibrium dynamics due to the extended time scales for diffusive mixing. Existing techniques for measuring water diffusion by isotopic exchange are limited by contact of samples with the substrate, and methods applied to infer diffusion coefficients from mass transport in levitated droplets requires analysis by complex coupled differential equations to derive diffusion coefficients. We present a new technique that combines contactless levitation with aerosol optical tweezers with isotopic exchange (D2O/H2O) to measure the water diffusion coefficient over a broad range (Dw ≈ 10(-12)-10(-17) m(2)·s(-1)) in viscous organic liquids (citric acid, sucrose, and shikimic acid) and inorganic gels (magnesium sulfate, MgSO4). For the organic liquids in binary and ternary mixtures, Dw depends on relative humidity and follows a simple compositional Vignes relationship. In MgSO4 droplets, water diffusivity decreases sharply with water activity and is consistent with predictions from percolation theory. These measurements show that, by combining micrometer-sized particle levitation (a contactless measurement with rapid mixing times) with an established probe of water diffusion, Dw can be simply and directly quantified for amorphous and glassy states that are inaccessible to existing methods.

First evidence for high anelastic attenuation beneath the Red Sea from Love wave analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hadiouche, Ouiza

Attenuation coefficients of Love waves are determined for two seismic paths along the Red Sea. The attenuation coefficients are obtained using the multiple filter method for periods from 25 to 130 s along one path and from 40 to 130 s along the second one. The two sets of observations are in good agreement with anomalously high attenuation coefficients similar to those reported across a young part of the Pacific Ocean. Indeed, the values lie on average between 3.3 {plus minus} 0.6 and 1.1 {plus minus} 0.3 (10{sup {minus}4}km{sup {minus}1}) higher values being observed at shorter periods. In a secondmore » part of the paper, these apparent attenuation observations are interpreted in terms of a distribution of intrinsic absorption in the upper mantle. A frequency independent Q{sub {beta}} model is obtained using a trial-and-error method. The best fit to the data required a large and very low Q{sub {beta}} (30-50) zone below a depth of 50 km, underlying a thin and high Q{sub {beta}} (200-300) lid. These results are consistent with high heat flows and low velocities which characterize this tectonically active area, and corroborate the inference of anomalously high temperatures and low viscosity in the upper mantle beneath the Red Sea from recent seismological results.« less

Raman Spectroscopy of Isotopic Water Diffusion in Ultraviscous, Glassy, and Gel States in Aerosol by Use of Optical Tweezers

DOE PAGES

Davies, James F.; Wilson, Kevin R.

2016-01-11

The formation of ultraviscous, glassy, and amorphous gel states in aqueous aerosol following the loss of water results in nonequilibrium dynamics due to the extended time scales for diffusive mixing. Existing techniques for measuring water diffusion by isotopic exchange are limited by contact of samples with the substrate, and methods applied to infer diffusion coefficients from mass transport in levitated droplets requires analysis by complex coupled differential equations to derive diffusion coefficients. Here, we present a new technique that combines contactless levitation with aerosol optical tweezers with isotopic exchange (D 2O/H 2O) to measure the water diffusion coefficient over amore » broad range (D w ≈ 10 -12-10 -17 m 2s -1) in viscous organic liquids (citric acid, sucrose, and shikimic acid) and inorganic gels (magnesium sulfate, MgSO 4). For the organic liquids in binary and ternary mixtures, D w depends on relative humidity and follows a simple compositional Vignes relationship. In MgSO 4 droplets, water diffusivity decreases sharply with water activity and is consistent with predictions from percolation theory. These measurements show that, by combining micrometer-sized particle levitation (a contactless measurement with rapid mixing times) with an established probe of water diffusion, D w can be simply and directly quantified for amorphous and glassy states that are inaccessible to existing methods.« less

Assessment of field re-entry exposure to pesticides: A dislodgeable foliar residue study.

PubMed

Kasiotis, Konstantinos M; Tsakirakis, Angelos N; Richard Glass, C; Charistou, Agathi N; Anastassiadou, Pelagia; Gerritsen-Ebben, Rianda; Machera, Kyriaki

2017-10-15

A dislodgeable foliar residue study was conducted in greenhouse pepper and tomato on the island of Crete, Greece, following the spray application of an SC insecticide (with active substance (a.s.) tebufenozide) and an EC fungicide (a.s. bupirimate). Furthermore, for the assessment of worker exposure to pesticides - as a result of re-entering the treated crops - a worker dermal exposure study was carried out during the tasks of tying or pruning, which allowed the transfer coefficient values for the specific tasks to be determined. Pesticide residues were analysed with an in house developed and fully validated HPLC-ESI/MS analytical method. The results from the study resulted in transfer coefficient values which were in agreement with current EFSA guideline values in most of the cases with the exception of bupirimate in a tomato greenhouse. In that case, high potential dermal exposure and low dislodgeable foliar residue values were observed, which is thought to be due to the moist leaves collected during sampling and monitoring, which led to greater than expected transfer coefficient values. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

Active appearance model and deep learning for more accurate prostate segmentation on MRI

NASA Astrophysics Data System (ADS)

Cheng, Ruida; Roth, Holger R.; Lu, Le; Wang, Shijun; Turkbey, Baris; Gandler, William; McCreedy, Evan S.; Agarwal, Harsh K.; Choyke, Peter; Summers, Ronald M.; McAuliffe, Matthew J.

2016-03-01

Prostate segmentation on 3D MR images is a challenging task due to image artifacts, large inter-patient prostate shape and texture variability, and lack of a clear prostate boundary specifically at apex and base levels. We propose a supervised machine learning model that combines atlas based Active Appearance Model (AAM) with a Deep Learning model to segment the prostate on MR images. The performance of the segmentation method is evaluated on 20 unseen MR image datasets. The proposed method combining AAM and Deep Learning achieves a mean Dice Similarity Coefficient (DSC) of 0.925 for whole 3D MR images of the prostate using axial cross-sections. The proposed model utilizes the adaptive atlas-based AAM model and Deep Learning to achieve significant segmentation accuracy.

Synthesis/literature review for determining structural layer coefficients (SLC) of bases.

DOT National Transportation Integrated Search

2014-12-01

FDOTs current method of determining a base material structural layer coefficient (SLC) is detailed in the : Materials Manual, Chapter 2.1, Structural Layer Coefficients for Flexible Pavement Base Materials. : Currently, any new base material not a...

[Measurement of physical activity in older adults. Correlation between the PRISCUS-PAQ and accelerometry].

PubMed

Trampisch, U S; Platen, P; Moschny, A; Wilm, S; Thiem, U; Hinrichs, T

2012-04-01

The German questionnaire PRISCUS-PAQ was developed to measure actual physical activity of older adults in a telephone interview. PRISCUS-PAQ consists of ten main questions to assess the time spend in domestic activities (e.g., housework, gardening), sporting activities (e.g., riding a bicycle), and inactivity (e.g., sedentary activity, sleeping during the day) during the prior week. By assessing the number of days for each activity and the mean duration of performing this activity, a total score can be calculated. The total score corresponds to the energy consumption for 1 week. The aim of this study is to estimate the correlation of the PRISCUS-PAQ total score and accelerometry as an objective measurement method for the assessment of physical activity. A total of 114 participants (58% women) with a mean age of 76 years participated in the study. PRISCUS-PAQ was initially analyzed descriptively. To assess the validity of PRISCUS-PAQ, the correlation (correlation coefficient of Spearman) was calculated between the total score of the questionnaire PRISCUS-PAQ and the 95% trimmed sum of an accelerometer with a measurement period of 1 week. The correlation coefficient for the association of the PRISCUS-PAQ total score and the 95% trimmed sum of the acceleration values was r = 0.28 (95% confidence interval 0.10–0.44). Activities of daily life like cleaning and other domestic activities highly contributed to the weekly energy consumption of the participants. The association between the PRISCUS-PAQ questionnaire and accelerometry measured physical activity is comparable to other validated and established international questionnaires. The PRISCUS-PAQ is the first German questionnaire that allows the measurement of physical activity of older adults in a telephone interview.

Linear ordinary differential equations with constant coefficients. Revisiting the impulsive response method using factorization

NASA Astrophysics Data System (ADS)

Camporesi, Roberto

2011-06-01

We present an approach to the impulsive response method for solving linear constant-coefficient ordinary differential equations based on the factorization of the differential operator. The approach is elementary, we only assume a basic knowledge of calculus and linear algebra. In particular, we avoid the use of distribution theory, as well as of the other more advanced approaches: Laplace transform, linear systems, the general theory of linear equations with variable coefficients and the variation of constants method. The approach presented here can be used in a first course on differential equations for science and engineering majors.

Resonance scattering spectra of micrococcus lysodeikticus and its application to assay of lysozyme activity.

PubMed

Jiang, Zhi-Liang; Huang, Guo-Xia

2007-02-01

Several methods, including turbidimetric and colorimetric methods, have been reported for the detection of lysozyme activity. However, there is no report about the resonance scattering spectral (RSS) assay, which is based on the catalytic effect of lysozyme on the hydrolysis of micrococcus lysodeikticus (ML) and its resonance scattering effect. ML has 5 resonance scattering peaks at 360 400, 420, 470, and 520 nm with the strongest one at 470 nm. The concentration of ML in the range of 2.0x10(6)-9.3x10(8) cells/ml is proportional to the RS intensity at 470 nm (I(470 nm)). A new catalytic RSS method has been proposed for 0.24-40.0 U/ml (or 0.012-2.0 mug/ml) lysozyme activity, with a detection limit (3sigma) of 0.014 U/ml (or 0.0007 microg/ml). Saliva samples were assayed by this method, and it is in agreement with the results of turbidimetric method. The slope, intercept and the correlation coefficient of the regression analysis of the 2 assays were 0.9665, -87.50, and 0.9973, respectively. The assay has high sensitivity and simplicity.

Combined 3D-QSAR modeling and molecular docking study on azacycles CCR5 antagonists

NASA Astrophysics Data System (ADS)

Ji, Yongjun; Shu, Mao; Lin, Yong; Wang, Yuanqiang; Wang, Rui; Hu, Yong; Lin, Zhihua

2013-08-01

The beta chemokine receptor 5 (CCR5) is an attractive target for pharmaceutical industry in the HIV-1, inflammation and cancer therapeutic areas. In this study, we have developed quantitative structure activity relationship (QSAR) models for a series of 41 azacycles CCR5 antagonists using comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA), and Topomer CoMFA methods. The cross-validated coefficient q2 values of 3D-QASR (CoMFA, CoMSIA, and Topomer CoMFA) methods were 0.630, 0.758, and 0.852, respectively, the non-cross-validated R2 values were 0.979, 0.978, and 0.990, respectively. Docking studies were also employed to determine the most probable binding mode. 3D contour maps and docking results suggested that bulky groups and electron-withdrawing groups on the core part would decrease antiviral activity. Furthermore, docking results indicated that H-bonds and π bonds were favorable for antiviral activities. Finally, a set of novel derivatives with predicted activities were designed.

Ambient Ionization Mass Spectrometry Measurement of Aminotransferase Activity

NASA Astrophysics Data System (ADS)

Yan, Xin; Li, Xin; Zhang, Chengsen; Xu, Yang; Cooks, R. Graham

2017-06-01

A change in enzyme activity has been used as a clinical biomarker for diagnosis and is useful in evaluating patient prognosis. Current laboratory measurements of enzyme activity involve multi-step derivatization of the reaction products followed by quantitative analysis of these derivatives. This study simplified the reaction systems by using only the target enzymatic reaction and directly detecting its product. A protocol using paper spray mass spectrometry for identifying and quantifying the reaction product has been developed. Evaluation of the activity of aspartate aminotransferase (AST) was chosen as a proof-of-principle. The volume of sample needed is greatly reduced compared with the traditional method. Paper spray has a desalting effect that avoids sprayer clogging problems seen when examining serum samples by nanoESI. This very simple method does not require sample pretreatment and additional derivatization reactions, yet it gives high quality kinetic data, excellent limits of detection (60 ppb from serum), and coefficients of variation <10% in quantitation. [Figure not available: see fulltext.

SCALE Continuous-Energy Eigenvalue Sensitivity Coefficient Calculations

DOE PAGES

Perfetti, Christopher M.; Rearden, Bradley T.; Martin, William R.

2016-02-25

Sensitivity coefficients describe the fractional change in a system response that is induced by changes to system parameters and nuclear data. The Tools for Sensitivity and UNcertainty Analysis Methodology Implementation (TSUNAMI) code within the SCALE code system makes use of eigenvalue sensitivity coefficients for an extensive number of criticality safety applications, including quantifying the data-induced uncertainty in the eigenvalue of critical systems, assessing the neutronic similarity between different critical systems, and guiding nuclear data adjustment studies. The need to model geometrically complex systems with improved fidelity and the desire to extend TSUNAMI analysis to advanced applications has motivated the developmentmore » of a methodology for calculating sensitivity coefficients in continuous-energy (CE) Monte Carlo applications. The Contributon-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) and Iterated Fission Probability (IFP) eigenvalue sensitivity methods were recently implemented in the CE-KENO framework of the SCALE code system to enable TSUNAMI-3D to perform eigenvalue sensitivity calculations using continuous-energy Monte Carlo methods. This work provides a detailed description of the theory behind the CLUTCH method and describes in detail its implementation. This work explores the improvements in eigenvalue sensitivity coefficient accuracy that can be gained through the use of continuous-energy sensitivity methods and also compares several sensitivity methods in terms of computational efficiency and memory requirements.« less

Development of seismic fragility curves for low-rise masonry infilled reinforced concrete buildings by a coefficient-based method

NASA Astrophysics Data System (ADS)

Su, Ray Kai Leung; Lee, Chien-Liang

2013-06-01

This study presents a seismic fragility analysis and ultimate spectral displacement assessment of regular low-rise masonry infilled (MI) reinforced concrete (RC) buildings using a coefficient-based method. The coefficient-based method does not require a complicated finite element analysis; instead, it is a simplified procedure for assessing the spectral acceleration and displacement of buildings subjected to earthquakes. A regression analysis was first performed to obtain the best-fitting equations for the inter-story drift ratio (IDR) and period shift factor of low-rise MI RC buildings in response to the peak ground acceleration of earthquakes using published results obtained from shaking table tests. Both spectral acceleration- and spectral displacement-based fragility curves under various damage states (in terms of IDR) were then constructed using the coefficient-based method. Finally, the spectral displacements of low-rise MI RC buildings at the ultimate (or nearcollapse) state obtained from this paper and the literature were compared. The simulation results indicate that the fragility curves obtained from this study and other previous work correspond well. Furthermore, most of the spectral displacements of low-rise MI RC buildings at the ultimate state from the literature fall within the bounded spectral displacements predicted by the coefficient-based method.

I Vivo Quantitative Ultrasound Imaging and Scatter Assessments.

NASA Astrophysics Data System (ADS)

Lu, Zheng Feng

There is evidence that "instrument independent" measurements of ultrasonic scattering properties would provide useful diagnostic information that is not available with conventional ultrasound imaging. This dissertation is a continuing effort to test the above hypothesis and to incorporate quantitative ultrasound methods into clinical examinations for early detection of diffuse liver disease. A well-established reference phantom method was employed to construct quantitative ultrasound images of tissue in vivo. The method was verified by extensive phantom tests. A new method was developed to measure the effective attenuation coefficient of the body wall. The method relates the slope of the difference between the echo signal power spectrum from a uniform region distal to the body wall and the echo signal power spectrum from a reference phantom to the body wall attenuation. The accuracy obtained from phantom tests suggests further studies with animal experiments. Clinically, thirty-five healthy subjects and sixteen patients with diffuse liver disease were studied by these quantitative ultrasound methods. The average attenuation coefficient in normals agreed with previous investigators' results; in vivo backscatter coefficients agreed with the results from normals measured by O'Donnell. Strong discriminating power (p < 0.001) was found for both attenuation and backscatter coefficients between fatty livers and normals; a significant difference (p < 0.01) was observed in the backscatter coefficient but not in the attenuation coefficient between cirrhotic livers and normals. An in vivo animal model of steroid hepatopathy was used to investigate the system sensitivity in detecting early changes in canine liver resulting from corticosteroid administration. The average attenuation coefficient slope increased from 0.7 dB/cm/MHz in controls to 0.82 dB/cm/MHz (at 6 MHz) in treated animals on day 14 into the treatment, and the backscatter coefficient was 26times 10^{ -4}cm^{-1}sr^{-1} in controls compared with 74times 10^{-4}cm^{-1}sr^ {-1} (at 6 MHz) in treated animals. A simplified quantitative approach using video image signals was developed. Results derived both from the r.f. signal analysis and from the video signal analysis are sensitive to the changes in the liver in this animal model.

Investigating Causality Between Interacting Brain Areas with Multivariate Autoregressive Models of MEG Sensor Data

PubMed Central

Michalareas, George; Schoffelen, Jan-Mathijs; Paterson, Gavin; Gross, Joachim

2013-01-01

Abstract In this work, we investigate the feasibility to estimating causal interactions between brain regions based on multivariate autoregressive models (MAR models) fitted to magnetoencephalographic (MEG) sensor measurements. We first demonstrate the theoretical feasibility of estimating source level causal interactions after projection of the sensor-level model coefficients onto the locations of the neural sources. Next, we show with simulated MEG data that causality, as measured by partial directed coherence (PDC), can be correctly reconstructed if the locations of the interacting brain areas are known. We further demonstrate, if a very large number of brain voxels is considered as potential activation sources, that PDC as a measure to reconstruct causal interactions is less accurate. In such case the MAR model coefficients alone contain meaningful causality information. The proposed method overcomes the problems of model nonrobustness and large computation times encountered during causality analysis by existing methods. These methods first project MEG sensor time-series onto a large number of brain locations after which the MAR model is built on this large number of source-level time-series. Instead, through this work, we demonstrate that by building the MAR model on the sensor-level and then projecting only the MAR coefficients in source space, the true casual pathways are recovered even when a very large number of locations are considered as sources. The main contribution of this work is that by this methodology entire brain causality maps can be efficiently derived without any a priori selection of regions of interest. Hum Brain Mapp, 2013. © 2012 Wiley Periodicals, Inc. PMID:22328419

Estimating inelastic heavy-particle-hydrogen collision data. I. Simplified model and application to potassium-hydrogen collisions

NASA Astrophysics Data System (ADS)

Belyaev, Andrey K.; Yakovleva, Svetlana A.

2017-10-01

Aims: We derive a simplified model for estimating atomic data on inelastic processes in low-energy collisions of heavy-particles with hydrogen, in particular for the inelastic processes with high and moderate rate coefficients. It is known that these processes are important for non-LTE modeling of cool stellar atmospheres. Methods: Rate coefficients are evaluated using a derived method, which is a simplified version of a recently proposed approach based on the asymptotic method for electronic structure calculations and the Landau-Zener model for nonadiabatic transition probability determination. Results: The rate coefficients are found to be expressed via statistical probabilities and reduced rate coefficients. It turns out that the reduced rate coefficients for mutual neutralization and ion-pair formation processes depend on single electronic bound energies of an atom, while the reduced rate coefficients for excitation and de-excitation processes depend on two electronic bound energies. The reduced rate coefficients are calculated and tabulated as functions of electronic bound energies. The derived model is applied to potassium-hydrogen collisions. For the first time, rate coefficients are evaluated for inelastic processes in K+H and K++H- collisions for all transitions from ground states up to and including ionic states. Tables with calculated data are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/606/A147

Random matrix theory analysis of cross-correlations in the US stock market: Evidence from Pearson’s correlation coefficient and detrended cross-correlation coefficient

NASA Astrophysics Data System (ADS)

Wang, Gang-Jin; Xie, Chi; Chen, Shou; Yang, Jiao-Jiao; Yang, Ming-Yan

2013-09-01

In this study, we first build two empirical cross-correlation matrices in the US stock market by two different methods, namely the Pearson’s correlation coefficient and the detrended cross-correlation coefficient (DCCA coefficient). Then, combining the two matrices with the method of random matrix theory (RMT), we mainly investigate the statistical properties of cross-correlations in the US stock market. We choose the daily closing prices of 462 constituent stocks of S&P 500 index as the research objects and select the sample data from January 3, 2005 to August 31, 2012. In the empirical analysis, we examine the statistical properties of cross-correlation coefficients, the distribution of eigenvalues, the distribution of eigenvector components, and the inverse participation ratio. From the two methods, we find some new results of the cross-correlations in the US stock market in our study, which are different from the conclusions reached by previous studies. The empirical cross-correlation matrices constructed by the DCCA coefficient show several interesting properties at different time scales in the US stock market, which are useful to the risk management and optimal portfolio selection, especially to the diversity of the asset portfolio. It will be an interesting and meaningful work to find the theoretical eigenvalue distribution of a completely random matrix R for the DCCA coefficient because it does not obey the Marčenko-Pastur distribution.

Estimating subcatchment runoff coefficients using weather radar and a downstream runoff sensor.

PubMed

Ahm, Malte; Thorndahl, Søren; Rasmussen, Michael R; Bassø, Lene

2013-01-01

This paper presents a method for estimating runoff coefficients of urban drainage subcatchments based on a combination of high resolution weather radar data and flow measurements from a downstream runoff sensor. By utilising the spatial variability of the precipitation it is possible to estimate the runoff coefficients of the separate subcatchments. The method is demonstrated through a case study of an urban drainage catchment (678 ha) located in the city of Aarhus, Denmark. The study has proven that it is possible to use corresponding measurements of the relative rainfall distribution over the catchment and downstream runoff measurements to identify the runoff coefficients at subcatchment level.

New Insights into Signed Path Coefficient Granger Causality Analysis

PubMed Central

Zhang, Jian; Li, Chong; Jiang, Tianzi

2016-01-01

Granger causality analysis, as a time series analysis technique derived from econometrics, has been applied in an ever-increasing number of publications in the field of neuroscience, including fMRI, EEG/MEG, and fNIRS. The present study mainly focuses on the validity of “signed path coefficient Granger causality,” a Granger-causality-derived analysis method that has been adopted by many fMRI researches in the last few years. This method generally estimates the causality effect among the time series by an order-1 autoregression, and defines a positive or negative coefficient as an “excitatory” or “inhibitory” influence. In the current work we conducted a series of computations from resting-state fMRI data and simulation experiments to illustrate the signed path coefficient method was flawed and untenable, due to the fact that the autoregressive coefficients were not always consistent with the real causal relationships and this would inevitablely lead to erroneous conclusions. Overall our findings suggested that the applicability of this kind of causality analysis was rather limited, hence researchers should be more cautious in applying the signed path coefficient Granger causality to fMRI data to avoid misinterpretation. PMID:27833547

Lunar gravity derived from long-period satellite motion, a proposed method

NASA Technical Reports Server (NTRS)

Ferrari, A. J.

1971-01-01

A method was devised to determine the spherical harmonic coefficients of the lunar gravity field. The method consists of a two-step data reduction and estimation process. Pseudo-Doppler data were generated simulating two different lunar orbits. The analysis included the perturbing effects of the L1 lunar gravity field, the earth, the sun, and solar radiation pressure. Orbit determinations were performed on these data and long-period orbital elements were obtained. The Kepler element rates from these solutions were used to recover L1 lunar gravity coefficients. Overall results of the experiment show that lunar gravity coefficients can be accurately determined and that the method is dynamically consistent with long-period perturbation theory.

Measurement of gas diffusion coefficient in liquid-saturated porous media using magnetic resonance imaging

NASA Astrophysics Data System (ADS)

Song, Yongchen; Hao, Min; Zhao, Yuechao; Zhang, Liang

2014-12-01

In this study, the dual-chamber pressure decay method and magnetic resonance imaging (MRI) were used to dynamically visualize the gas diffusion process in liquid-saturated porous media, and the relationship of concentration-distance for gas diffusing into liquid-saturated porous media at different times were obtained by MR images quantitative analysis. A non-iterative finite volume method was successfully applied to calculate the local gas diffusion coefficient in liquid-saturated porous media. The results agreed very well with the conventional pressure decay method, thus it demonstrates that the method was feasible of determining the local diffusion coefficient of gas in liquid-saturated porous media at different times during diffusion process.

A novel method for effective diffusion coefficient measurement in gas diffusion media of polymer electrolyte fuel cells

NASA Astrophysics Data System (ADS)

Yang, Linlin; Sun, Hai; Fu, Xudong; Wang, Suli; Jiang, Luhua; Sun, Gongquan

2014-07-01

A novel method for measuring effective diffusion coefficient of porous materials is developed. The oxygen concentration gradient is established by an air-breathing proton exchange membrane fuel cell (PEMFC). The porous sample is set in a sample holder located in the cathode plate of the PEMFC. At a given oxygen flux, the effective diffusion coefficients are related to the difference of oxygen concentration across the samples, which can be correlated with the differences of the output voltage of the PEMFC with and without inserting the sample in the cathode plate. Compared to the conventional electrical conductivity method, this method is more reliable for measuring non-wetting samples.

Wavelength selection for portable noninvasive blood component measurement system based on spectral difference coefficient and dynamic spectrum

NASA Astrophysics Data System (ADS)

Feng, Ximeng; Li, Gang; Yu, Haixia; Wang, Shaohui; Yi, Xiaoqing; Lin, Ling

2018-03-01

Noninvasive blood component analysis by spectroscopy has been a hotspot in biomedical engineering in recent years. Dynamic spectrum provides an excellent idea for noninvasive blood component measurement, but studies have been limited to the application of broadband light sources and high-resolution spectroscopy instruments. In order to remove redundant information, a more effective wavelength selection method has been presented in this paper. In contrast to many common wavelength selection methods, this method is based on sensing mechanism which has a clear mechanism and can effectively avoid the noise from acquisition system. The spectral difference coefficient was theoretically proved to have a guiding significance for wavelength selection. After theoretical analysis, the multi-band spectral difference coefficient-wavelength selection method combining with the dynamic spectrum was proposed. An experimental analysis based on clinical trial data from 200 volunteers has been conducted to illustrate the effectiveness of this method. The extreme learning machine was used to develop the calibration models between the dynamic spectrum data and hemoglobin concentration. The experiment result shows that the prediction precision of hemoglobin concentration using multi-band spectral difference coefficient-wavelength selection method is higher compared with other methods.

Comparison of a clinical gait analysis method using videography and temporal-distance measures with 16-mm cinematography.

PubMed

Stuberg, W A; Colerick, V L; Blanke, D J; Bruce, W

1988-08-01

The purpose of this study was to compare a clinical gait analysis method using videography and temporal-distance measures with 16-mm cinematography in a gait analysis laboratory. Ten children with a diagnosis of cerebral palsy (means age = 8.8 +/- 2.7 years) and 9 healthy children (means age = 8.9 +/- 2.4 years) participated in the study. Stride length, walking velocity, and goniometric measurements of the hip, knee, and ankle were recorded using the two gait analysis methods. A multivariate analysis of variance was used to determine significant differences between the data collected using the two methods. Pearson product-moment correlation coefficients were determined to examine the relationship between the measurements recorded by the two methods. The consistency of performance of the subjects during walking was examined by intraclass correlation coefficients. No significant differences were found between the methods for the variables studied. Pearson product-moment correlation coefficients ranged from .79 to .95, and intraclass coefficients ranged from .89 to .97. The clinical gait analysis method was found to be a valid tool in comparison with 16-mm cinematography for the variables that were studied.

On computing Laplace's coefficients and their derivatives.

NASA Astrophysics Data System (ADS)

Gerasimov, I. A.; Vinnikov, E. L.

The algorithm of computing Laplace's coefficients and their derivatives is proposed with application of recurrent relations. The A.G.M.-method is used for the calculation of values L0(0), L0(1). The FORTRAN-program corresponding to the algorithm is given. The precision control was provided with numerical integrating by Simpsons method. The behavior of Laplace's coefficients and their third derivatives whith varying indices K, n for fixed values of the α-parameter is presented graphically.

QSAR and docking studies on xanthone derivatives for anticancer activity targeting DNA topoisomerase IIα

PubMed Central

Alam, Sarfaraz; Khan, Feroz

2014-01-01

Due to the high mortality rate in India, the identification of novel molecules is important in the development of novel and potent anticancer drugs. Xanthones are natural constituents of plants in the families Bonnetiaceae and Clusiaceae, and comprise oxygenated heterocycles with a variety of biological activities along with an anticancer effect. To explore the anticancer compounds from xanthone derivatives, a quantitative structure activity relationship (QSAR) model was developed by the multiple linear regression method. The structure–activity relationship represented by the QSAR model yielded a high activity–descriptors relationship accuracy (84%) referred by regression coefficient (r2=0.84) and a high activity prediction accuracy (82%). Five molecular descriptors – dielectric energy, group count (hydroxyl), LogP (the logarithm of the partition coefficient between n-octanol and water), shape index basic (order 3), and the solvent-accessible surface area – were significantly correlated with anticancer activity. Using this QSAR model, a set of virtually designed xanthone derivatives was screened out. A molecular docking study was also carried out to predict the molecular interaction between proposed compounds and deoxyribonucleic acid (DNA) topoisomerase IIα. The pharmacokinetics parameters, such as absorption, distribution, metabolism, excretion, and toxicity, were also calculated, and later an appraisal of synthetic accessibility of organic compounds was carried out. The strategy used in this study may provide understanding in designing novel DNA topoisomerase IIα inhibitors, as well as for other cancer targets. PMID:24516330

Friction and wear of single-crystal manganese-zinc ferrite

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1979-01-01

Sliding friction experiments were conducted with single crystal manganese-zinc ferrite in contact with itself and with transition metals. Results indicate mating highest atomic density directions (110) on matched crystallographic planes exhibit the lowest coefficient of friction, indicating that direction is important in the friction behavior of ferrite. Matched parallel high atomic density planes and crystallographic directions at the interface exhibit low coefficients of friction. The coefficients of friction for ferrite in contact with various metals are related to the relative chemical activity of these metals. The more active the metal, the higher the coefficient of friction. Cracking and the formation of hexagon- and rectangular-shaped platelet wear debris due to cleavages of (110) planes are observed on the ferrite surfaces as a result of sliding.

Communication: A method to compute the transport coefficient of pure fluids diffusing through planar interfaces from equilibrium molecular dynamics simulations.

PubMed

Vermorel, Romain; Oulebsir, Fouad; Galliero, Guillaume

2017-09-14

The computation of diffusion coefficients in molecular systems ranks among the most useful applications of equilibrium molecular dynamics simulations. However, when dealing with the problem of fluid diffusion through vanishingly thin interfaces, classical techniques are not applicable. This is because the volume of space in which molecules diffuse is ill-defined. In such conditions, non-equilibrium techniques allow for the computation of transport coefficients per unit interface width, but their weak point lies in their inability to isolate the contribution of the different physical mechanisms prone to impact the flux of permeating molecules. In this work, we propose a simple and accurate method to compute the diffusional transport coefficient of a pure fluid through a planar interface from equilibrium molecular dynamics simulations, in the form of a diffusion coefficient per unit interface width. In order to demonstrate its validity and accuracy, we apply our method to the case study of a dilute gas diffusing through a smoothly repulsive single-layer porous solid. We believe this complementary technique can benefit to the interpretation of the results obtained on single-layer membranes by means of complex non-equilibrium methods.

Determination of activity coefficient of lanthanum chloride in molten LiCl-KCl eutectic salt as a function of cesium chloride and lanthanum chloride concentrations using electromotive force measurements

NASA Astrophysics Data System (ADS)

Bagri, Prashant; Simpson, Michael F.

2016-12-01

The thermodynamic behavior of lanthanides in molten salt systems is of significant scientific interest for the spent fuel reprocessing of Generation IV reactors. In this study, the apparent standard reduction potential (apparent potential) and activity coefficient of LaCl3 were determined in a molten salt solution of eutectic LiCl-KCl as a function of concentration of LaCl3. The effect of adding up to 1.40 mol % CsCl was also investigated. These properties were determined by measuring the open circuit potential of the La-La(III) redox couple in a high temperature molten salt electrochemical cell. Both the apparent potential and activity coefficient exhibited a strong dependence on concentration. A low concentration (0.69 mol %) of CsCl had no significant effect on the measured properties, while a higher concentration (1.40 mol %) of CsCl caused an increase (become more positive) in the apparent potential and activity coefficient at the higher range of LaCl3 concentrations.

Objective vs. self-reported physical activity and sedentary time: effects of measurement method on relationships with risk biomarkers.

PubMed

Celis-Morales, Carlos A; Perez-Bravo, Francisco; Ibañez, Luis; Salas, Carlos; Bailey, Mark E S; Gill, Jason M R

2012-01-01

Imprecise measurement of physical activity variables might attenuate estimates of the beneficial effects of activity on health-related outcomes. We aimed to compare the cardiometabolic risk factor dose-response relationships for physical activity and sedentary behaviour between accelerometer- and questionnaire-based activity measures. Physical activity and sedentary behaviour were assessed in 317 adults by 7-day accelerometry and International Physical Activity Questionnaire (IPAQ). Fasting blood was taken to determine insulin, glucose, triglyceride and total, LDL and HDL cholesterol concentrations and homeostasis model-estimated insulin resistance (HOMA(IR)). Waist circumference, BMI, body fat percentage and blood pressure were also measured. For both accelerometer-derived sedentary time (<100 counts.min(-1)) and IPAQ-reported sitting time significant positive (negative for HDL cholesterol) relationships were observed with all measured risk factors--i.e. increased sedentary behaviour was associated with increased risk (all p ≤ 0.01). However, for HOMA(IR) and insulin the regression coefficients were >50% lower for the IPAQ-reported compared to the accelerometer-derived measure (p<0.0001 for both interactions). The relationships for moderate-to-vigorous physical activity (MVPA) and risk factors were less strong than those observed for sedentary behaviours, but significant negative relationships were observed for both accelerometer and IPAQ MVPA measures with glucose, and insulin and HOMA(IR) values (all p<0.05). For accelerometer-derived MVPA only, additional negative relationships were seen with triglyceride, total cholesterol and LDL cholesterol concentrations, BMI, waist circumference and percentage body fat, and a positive relationship was evident with HDL cholesterol (p = 0.0002). Regression coefficients for HOMA(IR), insulin and triglyceride were 43-50% lower for the IPAQ-reported compared to the accelerometer-derived MVPA measure (all p≤0.01). Using the IPAQ to determine sitting time and MVPA reveals some, but not all, relationships between these activity measures and metabolic and vascular disease risk factors. Using this self-report method to quantify activity can therefore underestimate the strength of some relationships with risk factors.

Semi-automated segmentation of a glioblastoma multiforme on brain MR images for radiotherapy planning.

PubMed

Hori, Daisuke; Katsuragawa, Shigehiko; Murakami, Ryuuji; Hirai, Toshinori

2010-04-20

We propose a computerized method for semi-automated segmentation of the gross tumor volume (GTV) of a glioblastoma multiforme (GBM) on brain MR images for radiotherapy planning (RTP). Three-dimensional (3D) MR images of 28 cases with a GBM were used in this study. First, a sphere volume of interest (VOI) including the GBM was selected by clicking a part of the GBM region in the 3D image. Then, the sphere VOI was transformed to a two-dimensional (2D) image by use of a spiral-scanning technique. We employed active contour models (ACM) to delineate an optimal outline of the GBM in the transformed 2D image. After inverse transform of the optimal outline to the 3D space, a morphological filter was applied to smooth the shape of the 3D segmented region. For evaluation of our computerized method, we compared the computer output with manually segmented regions, which were obtained by a therapeutic radiologist using a manual tracking method. In evaluating our segmentation method, we employed the Jaccard similarity coefficient (JSC) and the true segmentation coefficient (TSC) in volumes between the computer output and the manually segmented region. The mean and standard deviation of JSC and TSC were 74.2+/-9.8% and 84.1+/-7.1%, respectively. Our segmentation method provided a relatively accurate outline for GBM and would be useful for radiotherapy planning.

Estimation hydrophilic-lipophilic balance number of surfactants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pawignya, Harsa, E-mail: harsa-paw@yahoo.co.id; Chemical Engineering Departement University of Pembangunan Nasional Yogyakarta; Prasetyaningrum, Aji, E-mail: ajiprasetyaningrum@gmail.com

Any type of surfactant has a hydrophilic-lipophilic balance number (HLB number) of different. There are several methods for determining the HLB number, with ohysical properties of surfactant (solubility cloud point and interfacial tension), CMC methods and by thermodynamics properties (Free energy Gibbs). This paper proposes to determined HLB numbers from interfelation methods. The result of study indicated that the CMC method described by Hair and Moulik espesially for nonionic surfactant. The application of exess Gibbs free energy and by implication activity coefficient provides the ability to predict the behavior of surfactants in multi component mixtures of different concentration. Determination ofmore » HLB number by solubility and cloud point parameter is spesific for anionic and nonionic surfactant but this methods not available for cationic surfactants.« less

An experimental investigation of three dimensional low speed minimum interference wind tunnel for high lift wings

NASA Technical Reports Server (NTRS)

Shindo, S.; Joppa, R. G.

1980-01-01

As a means to achieve a minimum interference correction wind tunnel, a partially actively controlled test section was experimentally examined. A jet flapped wing with 0.91 m (36 in) span and R = 4.05 was used as a model to create moderately high lift coefficients. The partially controlled test section was simulated using an insert, a rectangular box 0.96 x 1.44 m (3.14 x 4.71 ft) open on both ends in the direction of the tunnel air flow, placed in the University of Washington Aeronautical Laboratories (UWAL) 2.44 x 3.66 m (8 x 12 ft) wind tunnel. A tail located three chords behind the wing was used to measure the downwash at the tail region. The experimental data indicates that, within the range of momentum coefficient examined, it appears to be unnecessary to actively control all four sides of the test section walls in order to achieve the near interference free flow field environment in a small wind tunnel. The remaining wall interference can be satisfactorily corrected by the vortex lattice method.

Phase equilibrium measurements on twelve binary mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giles, N.F.; Wilson, H.L.; Wilding, W.V.

1996-11-01

Phase equilibrium measurements have been performed on twelve binary mixtures. The PTx method was used to obtain vapor-liquid equilibrium data for the following binary systems at two temperatures each: ethanethiol + propylene; nitrobenzene + methanol; pyridine + ethyl acetate; octane + tert-amyl methyl ether; diisopropyl ether + butane; 1,3-dichloro-2-propanol + epichlorohydrin; 2,3-dichloro-1-propanol + epichlorohydrin; 2,3-epoxy-1-propanol + epichlorohydrin; 3-chloro-1,2-propanediol + epichlorohydrin; methanol + hydrogen cyanide. For these systems, equilibrium vapor and liquid phase compositions were derived from the PTx data using the Soave equation of state to represent the vapor phase and the Wilson, NRTL, or Redlich-Kister activity coefficient model tomore » represent the liquid phase. The infinite dilution activity coefficient of methylamine in N-methyl-2-pyrrolidone was determined at three temperatures by performing PTx measurements on the N-methyl-2-pyrrolidone was determined at three temperatures by performing PTx measurements on the N-methyl-2-pyrrolidone-rich half of the binary. Liquid-liquid equilibrium studies were made on the triethylene glycol + 1-pentene system at two temperatures by directly analyzing samples taken from each liquid phase.« less

Direct numerical simulation of variable surface tension flows using a Volume-of-Fluid method

NASA Astrophysics Data System (ADS)

Seric, Ivana; Afkhami, Shahriar; Kondic, Lou

2018-01-01

We develop a general methodology for the inclusion of a variable surface tension coefficient into a Volume-of-Fluid based Navier-Stokes solver. This new numerical model provides a robust and accurate method for computing the surface gradients directly by finding the tangent directions on the interface using height functions. The implementation is applicable to both temperature and concentration dependent surface tension coefficient, along with the setups involving a large jump in the temperature between the fluid and its surrounding, as well as the situations where the concentration should be strictly confined to the fluid domain, such as the mixing of fluids with different surface tension coefficients. We demonstrate the applicability of our method to the thermocapillary migration of bubbles and the coalescence of drops characterized by a different surface tension coefficient.

Method of fabricating composite structures

NASA Technical Reports Server (NTRS)

Sigur, W. A. (Inventor)

1990-01-01

A method of fabricating structures formed from composite materials by positioning the structure about a high coefficient of thermal expansion material, wrapping a graphite fiber overwrap about the structure, and thereafter heating the assembly to expand the high coefficient of thermal expansion material to forcibly compress the composite structure against the restraint provided by the graphite overwrap. The high coefficient of thermal expansion material is disposed about a mandrel with a release system therebetween, and with a release system between the material having the high coefficient of thermal expansion and the composite material, and between the graphite fibers and the composite structure. The heating may occur by inducing heat into the assembly by a magnetic field created by coils disposed about the assembly through which alternating current flows. The method permits structures to be formed without the use of an autoclave.

Method of fabricating composite structures

NASA Technical Reports Server (NTRS)

Sigur, Wanda A. (Inventor)

1992-01-01

A method of fabricating structures formed from composite materials by positioning the structure about a high coefficient of thermal expansion material, wrapping a graphite fiber overwrap about the structure, and thereafter heating the assembly to expand the high coefficient of thermal expansion material to forcibly compress the composite structure against the restraint provided by the graphite overwrap. The high coefficient of thermal expansion material is disposed about a mandrel with a release system therebetween, and with a release system between the material having the high coefficient of thermal expansion and the composite material, and between the graphite fibers and the composite structure. The heating may occur by inducing heat into the assembly by a magnetic field created by coils disposed about the assembly through which alternating current flows. The method permits structures to be formed without the use of an autoclave.

Extraction of the gate capacitance coupling coefficient in floating gate non-volatile memories: Statistical study of the effect of mismatching between floating gate memory and reference transistor in dummy cell extraction methods

NASA Astrophysics Data System (ADS)

Rafhay, Quentin; Beug, M. Florian; Duane, Russell

2007-04-01

This paper presents an experimental comparison of dummy cell extraction methods of the gate capacitance coupling coefficient for floating gate non-volatile memory structures from different geometries and technologies. These results show the significant influence of mismatching floating gate devices and reference transistors on the extraction of the gate capacitance coupling coefficient. In addition, it demonstrates the accuracy of the new bulk bias dummy cell extraction method and the importance of the β function, introduced recently in [Duane R, Beug F, Mathewson A. Novel capacitance coupling coefficient measurement methodology for floating gate non-volatile memory devices. IEEE Electr Dev Lett 2005;26(7):507-9], to determine matching pairs of floating gate memory and reference transistor.

Use of Doubly Labeled Water to Validate a Physical Activity Questionnaire Developed for the Japanese Population

PubMed Central

Ishikawa-Takata, Kazuko; Naito, Yoshihiko; Tanaka, Shigeho; Ebine, Naoyuki; Tabata, Izumi

2011-01-01

Background No study has attempted to use the doubly labeled water (DLW) method to validate a physical activity questionnaire administered to a Japanese population. The development and refinement of such questionnaires require that physical activity components related to physical activity level be examined. Methods Among 226 Japanese men and women 20 to 83 years of age, total energy expenditure (TEE) was assessed using the Japan Arteriosclerosis Longitudinal Study Physical Activity Questionnaire (JALSPAQ), and the results were compared with TEE measured by the DLW method as a gold standard. Resting metabolic rate (RMR) was measured using the Douglas Bag method. Results The median TEE by DLW and physical activity level (PAL: TEE/RMR) were 11.21 MJ/day and 1.88, respectively, for men, and 8.42 MJ/day and 1.83 for women. JALSPAQ slightly underestimated TEE: the differences in mean and standard error were −1.15 ± 1.92 MJ/day. JALSPAQ and DLW TEE values were moderately correlated (Spearman correlation = 0.742, P < 0.001; intraclass correlation coefficient = 0.648, P < 0.001), and the 95% limit of agreement was −4.99 to 2.69 MJ. Underestimation of TEE by JALSPAQ was greater in active subjects than in less active subjects. Moderate and vigorous physical activity and physical activity during work (ie, occupational tasks and housework) were strongly related to physical activity level. However, the physical activity components that differentiated sedentary from moderately active subjects were not clear. Conclusions Physical activity level values on JALSPAQ and DLW were weakly correlated. In addition, estimation of TEE in active subjects should be improved, and the use of a questionnaire to differentiate activity in sedentary and moderately active subjects must be reassessed. PMID:21258166

Development of TLSER model and QSAR model for predicting partition coefficients of hydrophobic organic chemicals between low density polyethylene film and water.

PubMed

Liu, Huihui; Wei, Mengbi; Yang, Xianhai; Yin, Cen; He, Xiao

2017-01-01

Partition coefficients are vital parameters for measuring accurately the chemicals concentrations by passive sampling devices. Given the wide use of low density polyethylene (LDPE) film in passive sampling, we developed a theoretical linear solvation energy relationship (TLSER) model and a quantitative structure-activity relationship (QSAR) model for the prediction of the partition coefficient of chemicals between LDPE and water (K pew ). For chemicals with the octanol-water partition coefficient (log K ow ) <8, a TLSER model with V x (McGowan volume) and qA - (the most negative charge on O, N, S, X atoms) as descriptors was developed, but the model had relatively low determination coefficient (R 2 ) and cross-validated coefficient (Q 2 ). In order to further explore the theoretical mechanisms involved in the partition process, a QSAR model with four descriptors (MLOGP (Moriguchi octanol-water partition coeff.), P_VSA_s_3 (P_VSA-like on I-state, bin 3), Hy (hydrophilic factor) and NssO (number of atoms of type ssO)) was established, and statistical analysis indicated that the model had satisfactory goodness-of-fit, robustness and predictive ability. For chemicals with log K OW >8, a TLSER model with V x and a QSAR model with MLOGP as descriptor were developed. This is the first paper to explore the models for highly hydrophobic chemicals. The applicability domain of the models, characterized by the Euclidean distance-based method and Williams plot, covered a large number of structurally diverse chemicals, which included nearly all the common hydrophobic organic compounds. Additionally, through mechanism interpretation, we explored the structural features those governing the partition behavior of chemicals between LDPE and water. Copyright © 2016 Elsevier B.V. All rights reserved.

Annual Estimates of Global Anthropogenic Methane Emissions: 1860-1994

DOE Data Explorer

Stern, David I. [Boston Univ., MA (United States); Kaufmann, Robert K. [Boston Univ., MA (United States)

1998-01-01

The authors provide the first estimates, by year, of global man-made emissions of methane, from 1860 through 1994. The methods, including the rationale for the various coefficients and assumptions used in deriving the estimates, are described fully in Stern and Kaufmann (1995, 1996), which provides the estimates for the period 1860-1993; the data presented here are revised and updated through 1994. Some formulae and coefficients were also revised in that process. Estimates are provided for total anthropogenic emissions, as well as emissions for the following component categories: Flaring and Venting of Natural Gas; Oil and Gas Supply Systems, Excluding Flaring; Coal Mining; Biomass Burning; Livestock Farming; Rice Farming and Related Activities; Landfills. Changes in emissions over time were estimated by treating emissions as a function of variables (such as population or coal production) for which historical time series are available.

Dynamic analysis of a magnetic bearing system with flux control

NASA Technical Reports Server (NTRS)

Knight, Josiah; Walsh, Thomas; Virgin, Lawrence

1994-01-01

Using measured values of two-dimensional forces in a magnetic actuator, equations of motion for an active magnetic bearing are presented. The presence of geometric coupling between coordinate directions causes the equations of motion to be nonlinear. Two methods are used to examine the unbalance response of the system: simulation by direct integration in time; and determination of approximate steady state solutions by harmonic balance. For relatively large values of the derivative control coefficient, the system behaves in an essentially linear manner, but for lower values of this parameter, or for higher values of the coupling coefficient, the response shows a split of amplitudes in the two principal directions. This bifurcation is sensitive to initial conditions. The harmonic balance solution shows that the separation of amplitudes actually corresponds to a change in stability of multiple coexisting solutions.

Novel enzymatic method for assaying Lp-PLA2 in serum.

PubMed

Yamaura, Saki; Sakasegawa, Shin-Ichi; Koguma, Emisa; Ueda, Shigeru; Kayamori, Yuzo; Sugimori, Daisuke; Karasawa, Ken

2018-06-01

Measurement of lipoprotein-associated phospholipase A 2 (Lp-PLA 2 ) can be used as an adjunct to traditional cardiovascular risk factors for identifying individuals at higher risk of cardiovascular events. This can be performed by quantification of the protein concentration using an ELISA platform or by measuring Lp-PLA 2 activity using platelet-activating factor (PAF) analog as substrate. Here, an enzymatic Lp-PLA 2 activity assay method using 1-O-Hexadecyl-2-acetyl-rac-glycero-3-phosphocholine (rac C 16 PAF) was developed. The newly revealed substrate specificity of lysoplasmalogen-specific phospholipase D (lysophospholipase D (LysoPLD)) was exploited. Lp-PLA 2 hydrolyzes 1-O-Hexadecyl-2-acetyl-sn-glycero-3-phosphocholine (C 16 PAF) to 1-O-Hexadecyl-2-hydroxy-sn-glycero-3-phosphocholine (LysoPAF). LysoPLD acted on LysoPAF, and the hydrolytically released choline was detected by choline oxidase. Regression analysis of Lp-PLA 2 activity measured by the enzymatic Lp-PLA 2 activity assay vs. two chemical Lp-PLA 2 activity assays, i.e. LpPLA 2 FS and PLAC® test, and ELISA, gave the following correlation coefficients: 0.990, 0.893 and 0.785, respectively (n = 30). Advantages of this enzymatic Lp-PLA 2 activity assay compared with chemical Lp-PLA 2 methods include the following; (i) only requires two reagents enabling a simple two-point linear calibration method with one calibrator (ii) no need for inhibitors of esterase-like activity in serum. Copyright © 2018 Elsevier B.V. All rights reserved.

Identification of transplanting stage of rice using Sentinel-1 data

NASA Astrophysics Data System (ADS)

Hongo, C.; Tosa, T.; Tamura, E.; Sigit, G.; Barus, B.

2017-12-01

As the adaptation of climate change, the Government of Indonesia has launched agricultural insurance program for damage of rice by drought, flood and pest and disease. For assessment of the damage ratio and calculation of indemnity, extraction of paddy field and identification of transplanting stage are key issues. In this research, we conducted identification of rice transplanting stage in dry season of 2015, using data from Sentinel-1, for paddy in Cianjur, West Java, Indonesia. As the first step, time series order of backscattering coefficient was analyzed about paddy, forest, villages and fish farming ponds with use of Sentinel-1 data acquired on April 1, April 13, April 25, May 7, May 19, June 24, July 18 and August 11. The result shows that the backscattering coefficient of paddy substantially decreased from data on May 7 and reached minimum value and then after increased toward June. A paddy area showing this change was almost the same area where rice was at harvesting stage and we did field investigation work from August 11 to 13. Considering a growth period of rice in our research site was about 110 days, so the result supported the fact that transplantation of rice was done around May 7. On the other hand, backscattering coefficient of forest, villages and fish farming ponds was constant and showed clear difference from the coefficient of paddy. As the next step, minimum and maximum value of backscattering coefficient were extracted from the data of May 7, May 19 and June 24, respectively. Then increase amount was calculated by deducting the minimum value from the maximum. Finally, using the minimum value of backscattering coefficient and the increased amount, a classification of image was made to identify transplanting stage through maximum likelihood method, decision tree method and threshold setting method (regression analysis by 3σ-rule). As the result, the maximum likelihood method made the most accurate distinguishment about transplanting stage while the decision tree method showed tendency to underestimate a paddy area already planted. As to the threshold setting method (regression analysis by 3σ-rule), its distinguishment accuracy was better than those of other methods about a paddy area adjacent to forest and villages of which backscattering coefficient was influenced by other sources' coefficients.

[Comprehensive weighted recognition method for hydrological abrupt change: With the runoff series of Jiajiu hydrological station in Lancang River as an example].

PubMed

Gu, Hai Ting; Xie, Ping; Sang, Yan Fang; Wu, Zi Yi

2018-04-01

Abrupt change is an important manifestation of hydrological process with dramatic variation in the context of global climate change, the accurate recognition of which has great significance to understand hydrological process changes and carry out the actual hydrological and water resources works. The traditional method is not reliable at both ends of the samples. The results of the methods are often inconsistent. In order to solve the problem, we proposed a comprehensive weighted recognition method for hydrological abrupt change based on weighting by comparing of 12 commonly used methods for testing change points. The reliability of the method was verified by Monte Carlo statistical test. The results showed that the efficiency of the 12 methods was influenced by the factors including coefficient of variation (Cv), deviation coefficient (Cs) before the change point, mean value difference coefficient, Cv difference coefficient and Cs difference coefficient, but with no significant relationship with the mean value of the sequence. Based on the performance of each method, the weight of each test method was given following the results from statistical test. The sliding rank sum test method and the sliding run test method had the highest weight, whereas the RS test method had the lowest weight. By this means, the change points with the largest comprehensive weight could be selected as the final result when the results of the different methods were inconsistent. This method was used to analyze the daily maximum sequence of Jiajiu station in the lower reaches of the Lancang River (1-day, 3-day, 5-day, 7-day and 1-month). The results showed that each sequence had obvious jump variation in 2004, which was in agreement with the physical causes of hydrological process change and water conservancy construction. The rationality and reliability of the proposed method was verified.

Expanding the Use of a Fluorogenic Method to Determine Activity and Mode of Action of Bacillus thuringiensis Bacteriocins Against Gram-Positive and Gram-Negative Bacteria

PubMed Central

de la Fuente-Salcido, Norma M.; Barboza-Corona, J. Eleazar; Espino Monzón, A. N.; Pacheco Cano, R. D.; Balagurusamy, N.; Bideshi, Dennis K.; Salcedo-Hernández, Rubén

2012-01-01

Previously we described a rapid fluorogenic method to measure the activity of five bacteriocins produced by Mexican strains of Bacillus thuringiensis against B. cereus 183. Here we standardize this method to efficiently determine the activity of bacteriocins against both Gram-positive and Gram-negative bacteria. It was determined that the crucial parameter required to obtain reproducible results was the number of cells used in the assay, that is, ~4 × 108 cell/mL and ~7 × 108 cell/mL, respectively, for target Gram-positive and Gram-negative bacteria. Comparative analyses of the fluorogenic and traditional well-diffusion assays showed correlation coefficients of 0.88 to 0.99 and 0.83 to 0.99, respectively, for Gram-positive and Gram-negative bacteria. The fluorogenic method demonstrated that the five bacteriocins of B. thuringiensis have bacteriolytic and bacteriostatic activities against all microorganisms tested, including clinically significant bacteria such as Listeria monocytogenes, Proteus vulgaris, and Shigella flexneri reported previously to be resistant to the antimicrobials as determined using the well-diffusion protocol. These results demonstrate that the fluorogenic assay is a more sensitive, reliable, and rapid method when compared with the well-diffusion method and can easily be adapted in screening protocols for bacteriocin production by other microorganisms. PMID:22919330

A Comparison of Artificial Intelligence Methods on Determining Coronary Artery Disease

NASA Astrophysics Data System (ADS)

Babaoğlu, Ismail; Baykan, Ömer Kaan; Aygül, Nazif; Özdemir, Kurtuluş; Bayrak, Mehmet

The aim of this study is to show a comparison of multi-layered perceptron neural network (MLPNN) and support vector machine (SVM) on determination of coronary artery disease existence upon exercise stress testing (EST) data. EST and coronary angiography were performed on 480 patients with acquiring 23 verifying features from each. The robustness of the proposed methods is examined using classification accuracy, k-fold cross-validation method and Cohen's kappa coefficient. The obtained classification accuracies are approximately 78% and 79% for MLPNN and SVM respectively. Both MLPNN and SVM methods are rather satisfactory than human-based method looking to Cohen's kappa coefficients. Besides, SVM is slightly better than MLPNN when looking to the diagnostic accuracy, average of sensitivity and specificity, and also Cohen's kappa coefficient.

Improving accuracy of simultaneously reconstructed activity and attenuation maps using deep learning.

PubMed

Hwang, Donghwi; Kim, Kyeong Yun; Kang, Seung Kwan; Seo, Seongho; Paeng, Jin Chul; Lee, Dong Soo; Lee, Jae Sung

2018-02-15

Simultaneous reconstruction of activity and attenuation using the maximum likelihood reconstruction of activity and attenuation (MLAA) augmented by time-of-flight (TOF) information is a promising method for positron emission tomography (PET) attenuation correction. However, it still suffers from several problems, including crosstalk artifacts, slow convergence speed, and noisy attenuation maps (μ-maps). In this work, we developed deep convolutional neural networks (CNNs) to overcome these MLAA limitations, and we verified their feasibility using a clinical brain PET data set. Methods: We applied the proposed method to one of the most challenging PET cases for simultaneous image reconstruction ( 18 F-FP-CIT PET scans with highly specific binding to striatum of the brain). Three different CNN architectures (convolutional autoencoder (CAE), U-net, hybrid of CAE and U-net) were designed and trained to learn x-ray computed tomography (CT) derived μ-map (μ-CT) from the MLAA-generated activity distribution and μ-map (μ-MLAA). PET/CT data of 40 patients with suspected Parkinson's disease were employed for five-fold cross-validation. For the training of CNNs, 800,000 transverse PET slices and CTs augmented from 32 patient data sets were used. The similarity to μ-CT of the CNN-generated μ-maps (μ-CAE, μ-Unet, and μ-Hybrid) and μ-MLAA was compared using Dice similarity coefficients. In addition, we compared the activity concentration of specific (striatum) and non-specific binding regions (cerebellum and occipital cortex) and the binding ratios in the striatum in the PET activity images reconstructed using those μ-maps. Results: The CNNs generated less noisy and more uniform μ-maps than original μ-MLAA. Moreover, the air cavities and bones were better resolved in the proposed CNN outputs. In addition, the proposed deep learning approach was useful for mitigating the crosstalk problem in the MLAA reconstruction. The hybrid network of CAE and U-net yielded the most similar μ-maps to μ-CT (Dice similarity coefficient in the whole head = 0.79 in the bone and 0.72 in air cavities), resulting in only approximately 5% errors in activity and biding ratio quantification. Conclusion: The proposed deep learning approach is promising for accurate attenuation correction of activity distribution in TOF PET systems. Copyright © 2018 by the Society of Nuclear Medicine and Molecular Imaging, Inc.

Runge-Kutta Methods for Linear Ordinary Differential Equations

NASA Technical Reports Server (NTRS)

Zingg, David W.; Chisholm, Todd T.

1997-01-01

Three new Runge-Kutta methods are presented for numerical integration of systems of linear inhomogeneous ordinary differential equations (ODES) with constant coefficients. Such ODEs arise in the numerical solution of the partial differential equations governing linear wave phenomena. The restriction to linear ODEs with constant coefficients reduces the number of conditions which the coefficients of the Runge-Kutta method must satisfy. This freedom is used to develop methods which are more efficient than conventional Runge-Kutta methods. A fourth-order method is presented which uses only two memory locations per dependent variable, while the classical fourth-order Runge-Kutta method uses three. This method is an excellent choice for simulations of linear wave phenomena if memory is a primary concern. In addition, fifth- and sixth-order methods are presented which require five and six stages, respectively, one fewer than their conventional counterparts, and are therefore more efficient. These methods are an excellent option for use with high-order spatial discretizations.

A Structural Modeling Approach to a Multilevel Random Coefficients Model.

ERIC Educational Resources Information Center

Rovine, Michael J.; Molenaar, Peter C. M.

2000-01-01

Presents a method for estimating the random coefficients model using covariance structure modeling and allowing one to estimate both fixed and random effects. The method is applied to real and simulated data, including marriage data from J. Belsky and M. Rovine (1990). (SLD)

Assessment of intake and nutritional status of vitamin b1, b2, and b6 in men and women with different physical activity levels.

PubMed

Malara, M; Hübner-Wozniak, E; Lewandowska, I

2013-06-01

The purpose of the present study was to examine the nutritional status of vitamin B1, B2, and B6 in respect to dietary intake of these vitamins and activity coefficients of the erythrocyte enzymes transketolase, glutathione reductase, and aspartic aminotransferase in young men and women with different physical activity levels. The participants of this study were 20 women and 20 men with high physical activity (groups HAW and HAM, respectively), and 20 women and 20 men with low physical activity (groups LAW and LAM, respectively). The intake of vitamins B1, B2, B6, proteins, and calorie content of the diet was based on the average of the 4-day dietary recalls. To assess nutritional status of vitamin B1, B2, and B6, the activity coefficients (α) of erythrocyte transketolase (ETK), erythrocyte glutathione reductase (EGR), and erythrocyte aspartic aminotransferase (EAST) were estimated in blood hemolysates. The intake of the studied vitamins in the diet was statistically significantly lower in the female groups compared with the respective male groups. Deficiency of vitamin B6 in the diet was present more often in women than in men (in terms of the recommended dietary allowances [RDA]). Values of the activity coefficient αETK indicated that none of the groups in this study suffered the risk of vitamin B1 deficiency. The value of the activity coefficient αEGR indicated that the groups of women and men with low physical activity were more prone to vitamin B2 deficiency compared with the high physical activity groups. The risk of vitamin B6 deficiency (αEAST) in both male groups was higher than in both female groups. The obtained results do not allow for unequivocal determination of the impact of sex and the level of physical activity on intake and nutritional status of vitamin B1, B2, and B6. Independently of sex and the level of physical activity, the women and men consumed insufficient quantities of vitamins B1 and B6, although this was not always related to increased values of corresponding activity coefficients.

Determination of stream reaeration coefficients by use of tracers

USGS Publications Warehouse

Kilpatrick, F.A.; Rathbun, R.E.; Yotsukura, Nobuhiro; Parker, G.W.; DeLong, L.L.

1989-01-01

Stream reaeration is the physical absorption of oxygen from the atmosphere by a flowing stream. This is the primary process by which a stream replenishes the oxygen consumed in the biodegradation of organic wastes. Prior to 1965, reaeration rate coefficients could be estimated only by indirect methods. In 1965, a direct method of measuring stream reaeration coefficients was developed whereby a radioactive tracer gas was injected into a stream-the principle being that the tracer gas would be desorbed from the stream inversely to how oxygen would be absorbed. The technique has since been modified by substituting hydrocarbon gases for the radioactive tracer gas. This manual describes the slug-injection and constant-rate-injection methods of measuring gas-tracer desorption. Emphasis is on the use of rhodamine WT dye as a relatively conservative tracer and propane as the nonconservative gas tracer, on planning field tests, on methods of injection, sampling, and analysis, and on techniques for computing desorption and reaeration coefficients.

Estimation of water absorption coefficient using the TDR method

NASA Astrophysics Data System (ADS)

Suchorab, Zbigniew; Majerek, Dariusz; Brzyski, Przemysław; Sobczuk, Henryk; Raczkowski, Andrzej

2017-07-01

Moisture accumulation and transport in the building barriers is an important feature that influences building performance, causing serious exploitation problems as increased energy use, mold and bacteria growth, decrease of indoor air parameters that may lead to sick building syndrome (SBS). One of the parameters that is used to describe moisture characteristic of the material is water absorption coefficient being the measure of capillary behavior of the material as a function of time and the surface area of the specimen. As usual it is determined using gravimetric methods according to EN 1925:1999 standard. In this article we demonstrate the possibility of determination of water absorption coefficient of autoclaved aerated concrete (AAC) using the Time Domain Reflectometry (TDR) method. TDR is an electric technique that had been adopted from soil science and can be successfully used for real-time monitoring of moisture transport in building materials and envelopes. Data achieved using TDR readouts show high correlation with standard method of moisture absorptivity coefficient determination.

Method for Calculating the Optical Diffuse Reflection Coefficient for the Ocular Fundus

NASA Astrophysics Data System (ADS)

Lisenko, S. A.; Kugeiko, M. M.

2016-07-01

We have developed a method for calculating the optical diffuse reflection coefficient for the ocular fundus, taking into account multiple scattering of light in its layers (retina, epithelium, choroid) and multiple refl ection of light between layers. The method is based on the formulas for optical "combination" of the layers of the medium, in which the optical parameters of the layers (absorption and scattering coefficients) are replaced by some effective values, different for cases of directional and diffuse illumination of the layer. Coefficients relating the effective optical parameters of the layers and the actual values were established based on the results of a Monte Carlo numerical simulation of radiation transport in the medium. We estimate the uncertainties in retrieval of the structural and morphological parameters for the fundus from its diffuse reflectance spectrum using our method. We show that the simulated spectra correspond to the experimental data and that the estimates of the fundus parameters obtained as a result of solving the inverse problem are reasonable.

Efficient sensitivity analysis method for chaotic dynamical systems

NASA Astrophysics Data System (ADS)

Liao, Haitao

2016-05-01

The direct differentiation and improved least squares shadowing methods are both developed for accurately and efficiently calculating the sensitivity coefficients of time averaged quantities for chaotic dynamical systems. The key idea is to recast the time averaged integration term in the form of differential equation before applying the sensitivity analysis method. An additional constraint-based equation which forms the augmented equations of motion is proposed to calculate the time averaged integration variable and the sensitivity coefficients are obtained as a result of solving the augmented differential equations. The application of the least squares shadowing formulation to the augmented equations results in an explicit expression for the sensitivity coefficient which is dependent on the final state of the Lagrange multipliers. The LU factorization technique to calculate the Lagrange multipliers leads to a better performance for the convergence problem and the computational expense. Numerical experiments on a set of problems selected from the literature are presented to illustrate the developed methods. The numerical results demonstrate the correctness and effectiveness of the present approaches and some short impulsive sensitivity coefficients are observed by using the direct differentiation sensitivity analysis method.

Soliton and periodic solutions for time-dependent coefficient non-linear equation

NASA Astrophysics Data System (ADS)

Guner, Ozkan

2016-01-01

In this article, we establish exact solutions for the generalized (3+1)-dimensional variable coefficient Kadomtsev-Petviashvili (GVCKP) equation. Using solitary wave ansatz in terms of ? functions and the modified sine-cosine method, we find exact analytical bright soliton solutions and exact periodic solutions for the considered model. The physical parameters in the soliton solutions are obtained as function of the dependent model coefficients. The effectiveness and reliability of the method are shown by its application to the GVCKP equation.

A Projectile for a Rectangular Barreled Rail Gun

DTIC Science & Technology

1999-12-01

fins Cfb ’ skin friction drag coefficient for nose/body combination modified for equations of motion Cff’ skin friction drag coefficient for fins...occasionally referred to as the last point method, uses a loop , shown in simplified form in Figure (2) as a flow chart. The program loop takes the final... Cfb ’ = CfofCf(Sno/s+Sbs)/ScsS (4.11) Cff = CfffcfSw/Scss (4.12) 2. Form Drag The form drag coefficients are determined by the methods from

Diffusion in thorium carbide: A first-principles study

NASA Astrophysics Data System (ADS)

Pérez Daroca, D.; Llois, A. M.; Mosca, H. O.

2015-12-01

The prediction of the behavior of Th compounds under irradiation is an important issue for the upcoming Generation-IV nuclear reactors. The study of self-diffusion and hetero-diffusion is a central key to fulfill this goal. As a first approach, we obtained, by means of first-principles methods, migration and activation energies of Th and C atoms self-diffusion and diffusion of He atoms in ThC. We also calculate diffusion coefficients as a function of temperature.

The method of attachment influences accelerometer-based activity data in dogs.

PubMed

Martin, Kyle W; Olsen, Anastasia M; Duncan, Colleen G; Duerr, Felix M

2017-02-10

Accelerometer-based activity monitoring is a promising new tool in veterinary medicine used to objectively assess activity levels in dogs. To date, it is unknown how device orientation, attachment method, and attachment of a leash to the collar holding an accelerometer affect canine activity data. It was our goal to evaluate whether attachment methods of accelerometers affect activity counts. Eight healthy, client-owned dogs were fitted with two identical neck collars to which two identical activity monitors were attached using six different methods of attachment. These methods of attachment evaluated the use of a protective case, positioning of the activity monitor and the tightness of attachment of the accelerometer. Lastly, the effect of leash attachment to the collar was evaluated. For trials where the effect of leash attachment to the collar was not being studied, the leash was attached to a harness. Activity data obtained from separate monitors within a given experiment were compared using Pearson correlation coefficients and across all experiments using the Kruskal-Wallis Test. There was excellent correlation and low variability between activity monitors on separate collars when the leash was attached to a harness, regardless of their relative positions. There was good correlation when activity monitors were placed on the same collar regardless of orientation. There were poor correlations between activity monitors in three experiments: when the leash was fastened to the collar that held an activity monitor, when one activity monitor was housed in the protective casing, and when one activity monitor was loosely zip-tied to the collar rather than threaded on using the provided metal loop. Follow-up, pair-wise comparisons identified the correlation associated with these three methods of attachment to be statistically different from the level of correlation when monitors were placed on separate collars. While accelerometer-based activity monitors are useful tools to objectively assess physical activity in dogs, care must be taken when choosing a method to attach the device. The attachment of the activity monitor to the collar should utilize a second, dedicated collar that is not used for leash attachment and the attachment method should remain consistent throughout a study period.

Electric field control in DC cable test termination by nano silicone rubber composite

NASA Astrophysics Data System (ADS)

Song, Shu-Wei; Li, Zhongyuan; Zhao, Hong; Zhang, Peihong; Han, Baozhong; Fu, Mingli; Hou, Shuai

2017-07-01

The electric field distributions in high voltage direct current cable termination are investigated with silicone rubber nanocomposite being the electric stress control insulator. The nanocomposite is composed of silicone rubber, nanoscale carbon black and graphitic carbon. The experimental results show that the physical parameters of the nanocomposite, such as thermal activation energy and nonlinearity-relevant coefficient, can be manipulated by varying the proportion of the nanoscale fillers. The numerical simulation shows that safe electric field distribution calls for certain parametric region of the thermal activation energy and nonlinearity-relevant coefficient. Outside the safe parametric region, local maximum of electric field strength around the stress cone appears in the termination insulator, enhancing the breakdown of the cable termination. In the presence of the temperature gradient, thermal activation energy and nonlinearity-relevant coefficient work as complementary factors to produce a reasonable electric field distribution. The field maximum in the termination insulator show complicate variation in the transient processes. The stationary field distribution favors the increase of the nonlinearity-relevant coefficient; for the transient field distribution in the process of negative lighting impulse, however, an optimized value of the nonlinearity-relevant coefficient is necessary to equalize the electric field in the termination.

Computerized Liver Volumetry on MRI by Using 3D Geodesic Active Contour Segmentation

PubMed Central

Huynh, Hieu Trung; Karademir, Ibrahim; Oto, Aytekin; Suzuki, Kenji

2014-01-01

OBJECTIVE Our purpose was to develop an accurate automated 3D liver segmentation scheme for measuring liver volumes on MRI. SUBJECTS AND METHODS Our scheme for MRI liver volumetry consisted of three main stages. First, the preprocessing stage was applied to T1-weighted MRI of the liver in the portal venous phase to reduce noise and produce the boundary-enhanced image. This boundary-enhanced image was used as a speed function for a 3D fast-marching algorithm to generate an initial surface that roughly approximated the shape of the liver. A 3D geodesic-active-contour segmentation algorithm refined the initial surface to precisely determine the liver boundaries. The liver volumes determined by our scheme were compared with those manually traced by a radiologist, used as the reference standard. RESULTS The two volumetric methods reached excellent agreement (intraclass correlation coefficient, 0.98) without statistical significance (p = 0.42). The average (± SD) accuracy was 99.4% ± 0.14%, and the average Dice overlap coefficient was 93.6% ± 1.7%. The mean processing time for our automated scheme was 1.03 ± 0.13 minutes, whereas that for manual volumetry was 24.0 ± 4.4 minutes (p < 0.001). CONCLUSION The MRI liver volumetry based on our automated scheme agreed excellently with reference-standard volumetry, and it required substantially less completion time. PMID:24370139

Neuron selection based on deflection coefficient maximization for the neural decoding of dexterous finger movements.

PubMed

Kim, Yong-Hee; Thakor, Nitish V; Schieber, Marc H; Kim, Hyoung-Nam

2015-05-01

Future generations of brain-machine interface (BMI) will require more dexterous motion control such as hand and finger movements. Since a population of neurons in the primary motor cortex (M1) area is correlated with finger movements, neural activities recorded in M1 area are used to reconstruct an intended finger movement. In a BMI system, decoding discrete finger movements from a large number of input neurons does not guarantee a higher decoding accuracy in spite of the increase in computational burden. Hence, we hypothesize that selecting neurons important for coding dexterous flexion/extension of finger movements would improve the BMI performance. In this paper, two metrics are presented to quantitatively measure the importance of each neuron based on Bayes risk minimization and deflection coefficient maximization in a statistical decision problem. Since motor cortical neurons are active with movements of several different fingers, the proposed method is more suitable for a discrete decoding of flexion-extension finger movements than the previous methods for decoding reaching movements. In particular, the proposed metrics yielded high decoding accuracies across all subjects and also in the case of including six combined two-finger movements. While our data acquisition and analysis was done off-line and post processing, our results point to the significance of highly coding neurons in improving BMI performance.

Neuron Selection Based on Deflection Coefficient Maximization for the Neural Decoding of Dexterous Finger Movements

PubMed Central

Kim, Yong-Hee; Thakor, Nitish V.; Schieber, Marc H.; Kim, Hyoung-Nam

2015-01-01

Future generations of brain-machine interface (BMI) will require more dexterous motion control such as hand and finger movements. Since a population of neurons in the primary motor cortex (M1) area is correlated with finger movements, neural activities recorded in M1 area are used to reconstruct an intended finger movement. In a BMI system, decoding discrete finger movements from a large number of input neurons does not guarantee a higher decoding accuracy in spite of the increase in computational burden. Hence, we hypothesize that selecting neurons important for coding dexterous flexion/extension of finger movements would improve the BMI performance. In this paper, two metrics are presented to quantitatively measure the importance of each neuron based on Bayes risk minimization and deflection coefficient maximization in a statistical decision problem. Since motor cortical neurons are active with movements of several different fingers, the proposed method is more suitable for a discrete decoding of flexion-extension finger movements than the previous methods for decoding reaching movements. In particular, the proposed metrics yielded high decoding accuracies across all subjects and also in the case of including six combined two-finger movements. While our data acquisition and analysis was done off-line and post processing, our results point to the significance of highly coding neurons in improving BMI performance. PMID:25347884

How To Prepare Materials With a Desired Refraction Coefficient?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramm, A. G.

2010-05-21

In this talk a method is described for preparing materials with a desired refraction coefficient. The method consists of embedding into a material with known refraction coefficient many small particles of size a. The number of particles per unit volume around any point is prescribed, the distance between neighboring particles is O(a{sup (2-kappa/3)}) as a->0, 00. The refraction coefficient is themore » coefficient n{sup 2}(x) in the wave equation [nabla{sup 2}+kappa{sup 2}n{sup 2}(x)]u = 0.« less

Heat transfer coefficient of cryotop during freezing.

PubMed

Li, W J; Zhou, X L; Wang, H S; Liu, B L; Dai, J J

2013-01-01

Cryotop is an efficient vitrification method for cryopreservation of oocytes. It has been widely used owing to its simple operation and high freezing rate. Recently, the heat transfer performance of cryotop was studied by numerical simulation in several studies. However, the range of heat transfer coefficient in the simulation is uncertain. In this study, the heat transfer coefficient for cryotop during freezing process was analyzed. The cooling rates of 40 percent ethylene glycol (EG) droplet in cryotop during freezing were measured by ultra-fast measurement system and calculated by numerical simulation at different value of heat transfer coefficient. Compared with the results obtained by two methods, the range of the heat transfer coefficient necessary for the numerical simulation of cryotop was determined, which is between 9000 W/(m(2)·K) and 10000 W/(m (2)·K).

[Electroencephalogram Feature Selection Based on Correlation Coefficient Analysis].

PubMed

Zhou, Jinzhi; Tang, Xiaofang

2015-08-01

In order to improve the accuracy of classification with small amount of motor imagery training data on the development of brain-computer interface (BCD systems, we proposed an analyzing method to automatically select the characteristic parameters based on correlation coefficient analysis. Throughout the five sample data of dataset IV a from 2005 BCI Competition, we utilized short-time Fourier transform (STFT) and correlation coefficient calculation to reduce the number of primitive electroencephalogram dimension, then introduced feature extraction based on common spatial pattern (CSP) and classified by linear discriminant analysis (LDA). Simulation results showed that the average rate of classification accuracy could be improved by using correlation coefficient feature selection method than those without using this algorithm. Comparing with support vector machine (SVM) optimization features algorithm, the correlation coefficient analysis can lead better selection parameters to improve the accuracy of classification.

Accuracy and optimal timing of activity measurements in estimating the absorbed dose of radioiodine in the treatment of Graves' disease

NASA Astrophysics Data System (ADS)

Merrill, S.; Horowitz, J.; Traino, A. C.; Chipkin, S. R.; Hollot, C. V.; Chait, Y.

2011-02-01

Calculation of the therapeutic activity of radioiodine 131I for individualized dosimetry in the treatment of Graves' disease requires an accurate estimate of the thyroid absorbed radiation dose based on a tracer activity administration of 131I. Common approaches (Marinelli-Quimby formula, MIRD algorithm) use, respectively, the effective half-life of radioiodine in the thyroid and the time-integrated activity. Many physicians perform one, two, or at most three tracer dose activity measurements at various times and calculate the required therapeutic activity by ad hoc methods. In this paper, we study the accuracy of estimates of four 'target variables': time-integrated activity coefficient, time of maximum activity, maximum activity, and effective half-life in the gland. Clinical data from 41 patients who underwent 131I therapy for Graves' disease at the University Hospital in Pisa, Italy, are used for analysis. The radioiodine kinetics are described using a nonlinear mixed-effects model. The distributions of the target variables in the patient population are characterized. Using minimum root mean squared error as the criterion, optimal 1-, 2-, and 3-point sampling schedules are determined for estimation of the target variables, and probabilistic bounds are given for the errors under the optimal times. An algorithm is developed for computing the optimal 1-, 2-, and 3-point sampling schedules for the target variables. This algorithm is implemented in a freely available software tool. Taking into consideration 131I effective half-life in the thyroid and measurement noise, the optimal 1-point time for time-integrated activity coefficient is a measurement 1 week following the tracer dose. Additional measurements give only a slight improvement in accuracy.

Generation and application of the equations of condition for high order Runge-Kutta methods

NASA Technical Reports Server (NTRS)

Haley, D. C.

1972-01-01

This thesis develops the equations of condition necessary for determining the coefficients for Runge-Kutta methods used in the solution of ordinary differential equations. The equations of condition are developed for Runge-Kutta methods of order four through order nine. Once developed, these equations are used in a comparison of the local truncation errors for several sets of Runge-Kutta coefficients for methods of order three up through methods of order eight.

Model Selection Methods for Mixture Dichotomous IRT Models

ERIC Educational Resources Information Center

Li, Feiming; Cohen, Allan S.; Kim, Seock-Ho; Cho, Sun-Joo

2009-01-01

This study examines model selection indices for use with dichotomous mixture item response theory (IRT) models. Five indices are considered: Akaike's information coefficient (AIC), Bayesian information coefficient (BIC), deviance information coefficient (DIC), pseudo-Bayes factor (PsBF), and posterior predictive model checks (PPMC). The five…

An Investigation of the Sampling Distributions of Equating Coefficients.

ERIC Educational Resources Information Center

Baker, Frank B.

1996-01-01

Using the characteristic curve method for dichotomously scored test items, the sampling distributions of equating coefficients were examined. Simulations indicate that for the equating conditions studied, the sampling distributions of the equating coefficients appear to have acceptable characteristics, suggesting confidence in the values obtained…

Simultaneous Rapid Determination of the Solubility and Diffusion Coefficients of a Poorly Water-Soluble Drug Based on a Novel UV Imaging System.

PubMed

Lu, Yan; Li, Mingzhong

2016-01-01

The solubility and diffusion coefficient are two of the most important physicochemical properties of a drug compound. In practice, both have been measured separately, which is time consuming. This work utilizes a novel technique of UV imaging to determine the solubility and diffusion coefficients of poorly water-soluble drugs simultaneously. A 2-step optimal method is proposed to determine the solubility and diffusion coefficients of a poorly water-soluble pharmaceutical substance based on the Fick's second law of diffusion and UV imaging measurements. Experimental results demonstrate that the proposed method can be used to determine the solubility and diffusion coefficients of a drug with reasonable accuracy, indicating that UV imaging may provide a new opportunity to accurately measure the solubility and diffusion coefficients of a poorly water-soluble drug simultaneously and rapidly. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Transmission Loss Calculation using A and B Loss Coefficients in Dynamic Economic Dispatch Problem

NASA Astrophysics Data System (ADS)

Jethmalani, C. H. Ram; Dumpa, Poornima; Simon, Sishaj P.; Sundareswaran, K.

2016-04-01

This paper analyzes the performance of A-loss coefficients while evaluating transmission losses in a Dynamic Economic Dispatch (DED) Problem. The performance analysis is carried out by comparing the losses computed using nominal A loss coefficients and nominal B loss coefficients in reference with load flow solution obtained by standard Newton-Raphson (NR) method. Density based clustering method based on connected regions with sufficiently high density (DBSCAN) is employed in identifying the best regions of A and B loss coefficients. Based on the results obtained through cluster analysis, a novel approach in improving the accuracy of network loss calculation is proposed. Here, based on the change in per unit load values between the load intervals, loss coefficients are updated for calculating the transmission losses. The proposed algorithm is tested and validated on IEEE 6 bus system, IEEE 14 bus, system IEEE 30 bus system and IEEE 118 bus system. All simulations are carried out using SCILAB 5.4 (www.scilab.org) which is an open source software.

Antioxidant properties, physico-chemical characteristics and proximate composition of five wild fruits of Manipur, India.

PubMed

Sharma, Ph Baleshwor; Handique, Pratap Jyoti; Devi, Huidrom Sunitibala

2015-02-01

Antioxidant properties, physico-chemical characteristics and proximate composition of five wild fruits viz., Garcinia pedunculata, Garcinia xanthochymus, Docynia indica, Rhus semialata and Averrhoa carambola grown in Manipur, India were presented in the current study. The order of the antioxidant activity and reducing power of the fruit samples was found as R. semialata > D. indica > G. xanthochymus > A. carambola > G. pedunculata. Good correlation coefficient (R(2) > 0.99) was found among the three methods applied to determine antioxidant activity. Total phenolic content was positively correlated (R(2) = 0.960) with the antioxidant activity however, total flavonoid content was not positively correlated with the antioxidant activity. Physico-chemical and proximate composition of these fruits is documented for the first time.

Determination of diffusion coefficients in polypyrrole thin films using a current pulse relaxation method

NASA Technical Reports Server (NTRS)

Penner, Reginald M.; Vandyke, Leon S.; Martin, Charles R.

1987-01-01

The current pulse E sub oc relaxation method and its application to the determination of diffusion coefficients in electrochemically synthesized polypyrrole thin films is described. Diffusion coefficients for such films in Et4NBF4 and MeCN are determined for a series of submicron film thicknesses. Measurement of the double-layer capacitance, C sub dl, and the resistance, R sub u, of polypyrrole thin films as a function of potential obtained with the galvanostatic pulse method is reported. Measurements of the electrolyte concentration in reduced polypyrrole films are also presented to aid in the interpretation of the data.

Thermodynamics of enzyme-catalyzed esterifications: II. Levulinic acid esterification with short-chain alcohols.

PubMed

Altuntepe, Emrah; Emel'yanenko, Vladimir N; Forster-Rotgers, Maximilian; Sadowski, Gabriele; Verevkin, Sergey P; Held, Christoph

2017-10-01

Levulinic acid was esterified with methanol, ethanol, and 1-butanol with the final goal to predict the maximum yield of these equilibrium-limited reactions as function of medium composition. In a first step, standard reaction data (standard Gibbs energy of reaction Δ R g 0 ) were determined from experimental formation properties. Unexpectedly, these Δ R g 0 values strongly deviated from data obtained with classical group contribution methods that are typically used if experimental standard data is not available. In a second step, reaction equilibrium concentrations obtained from esterification catalyzed by Novozym 435 at 323.15 K were measured, and the corresponding activity coefficients of the reacting agents were predicted with perturbed-chain statistical associating fluid theory (PC-SAFT). The so-obtained thermodynamic activities were used to determine Δ R g 0 at 323.15 K. These results could be used to cross-validate Δ R g 0 from experimental formation data. In a third step, reaction-equilibrium experiments showed that equilibrium position of the reactions under consideration depends strongly on the concentration of water and on the ratio of levulinic acid: alcohol in the initial reaction mixtures. The maximum yield of the esters was calculated using Δ R g 0 data from this work and activity coefficients of the reacting agents predicted with PC-SAFT for varying feed composition of the reaction mixtures. The use of the new Δ R g 0 data combined with PC-SAFT allowed good agreement to the measured yields, while predictions based on Δ R g 0 values obtained with group contribution methods showed high deviations to experimental yields.

Robust check loss-based variable selection of high-dimensional single-index varying-coefficient model

NASA Astrophysics Data System (ADS)

Song, Yunquan; Lin, Lu; Jian, Ling

2016-07-01

Single-index varying-coefficient model is an important mathematical modeling method to model nonlinear phenomena in science and engineering. In this paper, we develop a variable selection method for high-dimensional single-index varying-coefficient models using a shrinkage idea. The proposed procedure can simultaneously select significant nonparametric components and parametric components. Under defined regularity conditions, with appropriate selection of tuning parameters, the consistency of the variable selection procedure and the oracle property of the estimators are established. Moreover, due to the robustness of the check loss function to outliers in the finite samples, our proposed variable selection method is more robust than the ones based on the least squares criterion. Finally, the method is illustrated with numerical simulations.