Solving point reactor kinetic equations by time step-size adaptable numerical methods
International Nuclear Information System (INIS)
Liao Chaqing
2007-01-01
Based on the analysis of effects of time step-size on numerical solutions, this paper showed the necessity of step-size adaptation. Based on the relationship between error and step-size, two-step adaptation methods for solving initial value problems (IVPs) were introduced. They are Two-Step Method and Embedded Runge-Kutta Method. PRKEs were solved by implicit Euler method with step-sizes optimized by using Two-Step Method. It was observed that the control error has important influence on the step-size and the accuracy of solutions. With suitable control errors, the solutions of PRKEs computed by the above mentioned method are accurate reasonably. The accuracy and usage of MATLAB built-in ODE solvers ode23 and ode45, both of which adopt Runge-Kutta-Fehlberg method, were also studied and discussed. (authors)
Energy Technology Data Exchange (ETDEWEB)
Oh, Suhk Kun [Chungbuk National University, Chungbuk (Korea, Republic of)
2006-01-15
As an extension of our previous work on the relationship between time in Monte Carlo simulation and time in the continuous master equation in the infinit-range Glauber kinetic Ising model in the absence of any magnetic field, we explored the same model in the presence of a static magnetic field. Monte Carlo steps per spin as time in the MC simulations again turns out to be proportional to time in the master equation for the model in relatively larger static magnetic fields at any temperature. At and near the critical point in a relatively smaller magnetic field, the model exhibits a significant finite-size dependence, and the solution to the Suzuki-Kubo differential equation stemming from the master equation needs to be re-scaled to fit the Monte Carlo steps per spin for the system with different numbers of spins.
Directory of Open Access Journals (Sweden)
Emily Lyle
2012-03-01
Full Text Available Indo-European mythology is known only through written records but it needs to be understood in terms of the preliterate oral-cultural context in which it was rooted. It is proposed that this world was conceptually organized through a memory-capsule consisting of the current generation and the three before it, and that there was a system of alternate generations with each generation taking a step into the future under the leadership of a white or red king.
Time step MOTA thermostat simulation
International Nuclear Information System (INIS)
Guthrie, G.L.
1978-09-01
The report details the logic, program layout, and operating procedures for the time-step MOTA (Materials Open Test Assembly) thermostat simulation program known as GYRD. It will enable prospective users to understand the operation of the program, run it, and interpret the results. The time-step simulation analysis was the approach chosen to determine the maximum value gain that could be used to minimize steady temperature offset without risking undamped thermal oscillations. The advantage of the GYRD program is that it directly shows hunting, ringing phenomenon, and similar events. Programs BITT and CYLB are faster, but do not directly show ringing time
Kinetics analysis of step and jump forward lunge among badminton ...
African Journals Online (AJOL)
This study was conducted to determine and compare the kinetics during step forward lunge (SFL) and jump forward lunge (JFL) in badminton. Fifteen university badminton players (mean age = 22.07 ± 1.39 years old) were recruited and were assigned to perform SFL and JFL while holding a badminton racquet using their ...
Grief: Difficult Times, Simple Steps.
Waszak, Emily Lane
This guide presents techniques to assist others in coping with the loss of a loved one. Using the language of 9 layperson, the book contains more than 100 tips for caregivers or loved ones. A simple step is presented on each page, followed by reasons and instructions for each step. Chapters include: "What to Say"; "Helpful Things to Do"; "Dealing…
Kinetic Energy Dissipation on Labyrinth Configuration Stepped Spillway
Directory of Open Access Journals (Sweden)
Jaafar S. Maatooq
2017-12-01
Full Text Available In present work a labyrinth (zigzag, in shape has been used to configure the steps of stepped spillway by using the physical model. This configuration does not introduce previously by investigators or in construction techniques of dams or cascades. It would be expected to improve the flow over chute. A magnifying the width path of each step to become, LT, instead of, W, will induce the interlocking between the mainstream and that spread laterally due to labyrinth path. This phenomenon leads to reduce the jet velocities near the surfaces, thus minimizing the ability of cavitation and with increasing a circulation regions the ability of air entrainment be maximized. The results were encouraging, (e.g., the reverse performance has recorded for spillway slope. From the evaluation of outcome, the average recorded of percentage profits of kinetic energy dissipation with a labyrinth shape compared with the results of traditional shape were ranged between (13- 44%. Different predictive formulas have been proposed based on iteration analysis, can be recommended for evaluation and design.
The effects of age and step length on joint kinematics and kinetics of large out-and-back steps.
Schulz, Brian W; Ashton-Miller, James A; Alexander, Neil B
2008-06-01
Maximum step length (MSL) is a clinical test that has been shown to correlate with age, various measures of fall risk, and knee and hip joint extension speed, strength, and power capacities, but little is known about the kinematics and kinetics of the large out-and-back step utilized. Body motions and ground reaction forces were recorded for 11 unimpaired younger and 10 older women while attaining maximum step length. Joint kinematics and kinetics were calculated using inverse dynamics. The effects of age group and step length on the biomechanics of these large out-and-back steps were determined. Maximum step length was 40% greater in the younger than in the older women (P<0.0001). Peak knee and hip, but not ankle, angle, velocity, moment, and power were generally greater for younger women and longer steps. After controlling for age group, step length generally explained significant additional variance in hip and torso kinematics and kinetics (incremental R2=0.09-0.37). The young reached their peak knee extension moment immediately after landing of the step out, while the old reached their peak knee extension moment just before the return step liftoff (P=0.03). Maximum step length is strongly associated with hip kinematics and kinetics. Delays in peak knee extension moment that appear to be unrelated to step length, may indicate a reduced ability of older women to rapidly apply force to the ground with the stepping leg and thus arrest the momentum of a fall.
Symplectic integrators with adaptive time steps
Richardson, A. S.; Finn, J. M.
2012-01-01
In recent decades, there have been many attempts to construct symplectic integrators with variable time steps, with rather disappointing results. In this paper, we identify the causes for this lack of performance, and find that they fall into two categories. In the first, the time step is considered a function of time alone, Δ = Δ(t). In this case, backward error analysis shows that while the algorithms remain symplectic, parametric instabilities may arise because of resonance between oscillations of Δ(t) and the orbital motion. In the second category the time step is a function of phase space variables Δ = Δ(q, p). In this case, the system of equations to be solved is analyzed by introducing a new time variable τ with dt = Δ(q, p) dτ. The transformed equations are no longer in Hamiltonian form, and thus do not benefit from integration methods which would be symplectic for Hamiltonian systems. We analyze two methods for integrating the transformed equations which do, however, preserve the structure of the original equations. The first is an extended phase space method, which has been successfully used in previous studies of adaptive time step symplectic integrators. The second, novel, method is based on a non-canonical mixed-variable generating function. Numerical trials for both of these methods show good results, without parametric instabilities or spurious growth or damping. It is then shown how to adapt the time step to an error estimate found by backward error analysis, in order to optimize the time-stepping scheme. Numerical results are obtained using this formulation and compared with other time-stepping schemes for the extended phase space symplectic method.
Step-wise kinetics of natural physical ageing in arsenic selenide glasses
International Nuclear Information System (INIS)
Golovchak, R; Kozdras, A; Balitska, V; Shpotyuk, O
2012-01-01
The long-term kinetics of physical ageing at ambient temperature is studied in Se-rich As-Se glasses using the conventional differential scanning calorimetry technique. It is analysed through the changes in the structural relaxation parameters occurring during the glass-to-supercooled liquid transition in the heating mode. Along with the time dependences of the glass transition temperature (T g ) and partial area (A) under the endothermic relaxation peak, the enthalpy losses (ΔH) and calculated fictive temperature (T F ) are analysed as key parameters, characterizing the kinetics of physical ageing. The latter is shown to have step-wise character, revealing some kinds of subsequent plateaus and steep regions. A phenomenological description of physical ageing in the investigated glasses is proposed on the basis of an alignment-shrinkage mechanism and first-order kinetic equations.
Influence of step length and landing pattern on patellofemoral joint kinetics during running.
Willson, J D; Ratcliff, O M; Meardon, S A; Willy, R W
2015-12-01
Elevated patellofemoral joint kinetics during running may contribute to patellofemoral joint symptoms. The purpose of this study was to test for independent effects of foot strike pattern and step length on patellofemoral joint kinetics while running. Effects were tested relative to individual steps and also taking into account the number of steps required to run a kilometer with each step length. Patellofemoral joint reaction force and stress were estimated in 20 participants running at their preferred speed. Participants ran using a forefoot strike and rearfoot strike pattern during three different step length conditions: preferred step length, long (+10%) step length, and short (-10%) step length. Patellofemoral kinetics was estimated using a biomechanical model of the patellofemoral joint that accounted for cocontraction of the knee flexors and extensors. We observed independent effects of foot strike pattern and step length. Patellofemoral joint kinetics per step was 10-13% less during forefoot strike conditions and 15-20% less with a shortened step length. Patellofemoral joint kinetics per kilometer decreased 12-13% using a forefoot strike pattern and 9-12% with a shortened step length. To the extent that patellofemoral joint kinetics contribute to symptoms among runners, these running modifications may be advisable for runners with patellofemoral pain. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.
Physical time scale in kinetic Monte Carlo simulations of continuous-time Markov chains.
Serebrinsky, Santiago A
2011-03-01
We rigorously establish a physical time scale for a general class of kinetic Monte Carlo algorithms for the simulation of continuous-time Markov chains. This class of algorithms encompasses rejection-free (or BKL) and rejection (or "standard") algorithms. For rejection algorithms, it was formerly considered that the availability of a physical time scale (instead of Monte Carlo steps) was empirical, at best. Use of Monte Carlo steps as a time unit now becomes completely unnecessary.
Plante, Ianik; Devroye, Luc
2017-10-01
Ionizing radiation interacts with the water molecules of the tissues mostly by ionizations and excitations, which result in the formation of the radiation track structure and the creation of radiolytic species such as H.,.OH, H2, H2O2, and e-aq. After their creation, these species diffuse and may chemically react with the neighboring species and with the molecules of the medium. Therefore radiation chemistry is of great importance in radiation biology. As the chemical species are not distributed homogeneously, the use of conventional models of homogeneous reactions cannot completely describe the reaction kinetics of the particles. Actually, many simulations of radiation chemistry are done using the Independent Reaction Time (IRT) method, which is a very fast technique to calculate radiochemical yields but which do not calculate the positions of the radiolytic species as a function of time. Step-by-step (SBS) methods, which are able to provide such information, have been used only sparsely because these are time-consuming in terms of calculation. Recent improvements in computer performance now allow the regular use of the SBS method in radiation chemistry. The SBS and IRT methods are both based on the Green's functions of the diffusion equation (GFDE). In this paper, several sampling algorithms of the GFDE and for the IRT method are presented. We show that the IRT and SBS methods are exactly equivalent for 2-particles systems for diffusion and partially diffusion-controlled reactions between non-interacting particles. We also show that the results obtained with the SBS simulation method with periodic boundary conditions are in agreement with the predictions by classical reaction kinetics theory, which is an important step towards using this method for modelling of biochemical networks and metabolic pathways involved in oxidative stress. Finally, the first simulation results obtained with the code RITRACKS (Relativistic Ion Tracks) are presented.
Automotive exhaust gas conversion: from elementary step kinetics to prediction of emission dynamics
Hoebink, J.H.B.J.; Harmsen, J.M.A.; Balenovic, M.; Backx, A.C.P.M.; Schouten, J.C.
2001-01-01
Elementary step based kinetics show a high added value to describe the performance of catalytic exhaust gas converters under dynamic conditions, as demonstrated with a Euro test cycle. Combination of such kinetic models for individual global reactions covers the mutual interactions via common
Gibbs-Thomson Law for Singular Step Segments: Thermodynamics Versus Kinetics
Chernov, A. A.
2003-01-01
Classical Burton-Cabrera-Frank theory presumes that thermal fluctuations are so fast that at any time density of kinks on a step is comparable with the reciprocal intermolecular distance, so that the step rate is about isotropic within the crystal plane. Such azimuthal isotropy is, however, often not the case: Kink density may be much lower. In particular, it was recently found on the (010) face of orthorhombic lysozyme that interkink distance may exceed 500-600 intermolecular distances. Under such conditions, Gibbs-Thomson law (GTL) may not be applicable: On a straight step segment between two corners, communication between the comers occurs exclusively by kink exchange. Annihilation between kinks of opposite sign generated at the comers results in the grain in step energy entering GTL. If the step segment length l much greater than D/v, where D and v are the kink diffusivity and propagation rate, respectively, the opposite kinks have practically no chance to annihilate and GTL is not applicable. The opposite condition of the GTL applicability, l much less than D/v, is equivalent to the requirement that relative supersaturation Delta(sub mu)/kT much less than alpha/l, where alpha is molecular size. Thus, GTL may be applied to a segment of 10(exp 3)alpha approx. 3 x 10(exp -5)cm approx 0.3 micron only if supersaturation is less than 0.1%, while practically used driving forces for crystallization are much larger. Relationships alternative to the GTL for different, but low, kink density have been discussed. They confirm experimental evidences that the Burton-Cabrera-Frank theory of spiral growth is growth rates twice as low as compared to the observed figures. Also, application of GTL results in unrealistic step energy while suggested kinetic law give reasonable figures.
Time to pause before the next step
International Nuclear Information System (INIS)
Siemon, R.E.
1998-01-01
Many scientists, who have staunchly supported ITER for years, are coming to realize it is time to further rethink fusion energy's development strategy. Specifically, as was suggested by Grant Logan and Dale Meade, and in keeping with the restructuring of 1996, a theme of better, cheaper, faster fusion would serve the program more effectively than ''demonstrating controlled ignition...and integrated testing of the high-heat-flux and nuclear components required to utilize fusion energy...'' which are the important ingredients of ITER's objectives. The author has personally shifted his view for a mixture of technical and political reasons. On the technical side, he senses that through advanced tokamak research, spherical tokamak research, and advanced stellarator work, scientists are coming to a new understanding that might make a burning-plasma device significantly smaller and less expensive. Thus waiting for a few years, even ten years, seems prudent. Scientifically, there is fascinating physics to be learned through studies of burning plasma on a tokamak. And clearly if one wishes to study burning plasma physics in a sustained plasma, there is no other configuration with an adequate database on which to proceed. But what is the urgency of moving towards an ITER-like step focused on burning plasma? Some of the arguments put forward and the counter arguments are discussed here
Time step length versus efficiency of Monte Carlo burnup calculations
International Nuclear Information System (INIS)
Dufek, Jan; Valtavirta, Ville
2014-01-01
Highlights: • Time step length largely affects efficiency of MC burnup calculations. • Efficiency of MC burnup calculations improves with decreasing time step length. • Results were obtained from SIE-based Monte Carlo burnup calculations. - Abstract: We demonstrate that efficiency of Monte Carlo burnup calculations can be largely affected by the selected time step length. This study employs the stochastic implicit Euler based coupling scheme for Monte Carlo burnup calculations that performs a number of inner iteration steps within each time step. In a series of calculations, we vary the time step length and the number of inner iteration steps; the results suggest that Monte Carlo burnup calculations get more efficient as the time step length is reduced. More time steps must be simulated as they get shorter; however, this is more than compensated by the decrease in computing cost per time step needed for achieving a certain accuracy
High-resolution seismic wave propagation using local time stepping
Peter, Daniel
2017-03-13
High-resolution seismic wave simulations often require local refinements in numerical meshes to accurately capture e.g. steep topography or complex fault geometry. Together with explicit time schemes, this dramatically reduces the global time step size for ground-motion simulations due to numerical stability conditions. To alleviate this problem, local time stepping (LTS) algorithms allow an explicit time stepping scheme to adapt the time step to the element size, allowing nearoptimal time steps everywhere in the mesh. This can potentially lead to significantly faster simulation runtimes.
Lucius, Aaron L; Maluf, Nasib K; Fischer, Christopher J; Lohman, Timothy M
2003-10-01
Helicase-catalyzed DNA unwinding is often studied using "all or none" assays that detect only the final product of fully unwound DNA. Even using these assays, quantitative analysis of DNA unwinding time courses for DNA duplexes of different lengths, L, using "n-step" sequential mechanisms, can reveal information about the number of intermediates in the unwinding reaction and the "kinetic step size", m, defined as the average number of basepairs unwound between two successive rate limiting steps in the unwinding cycle. Simultaneous nonlinear least-squares analysis using "n-step" sequential mechanisms has previously been limited by an inability to float the number of "unwinding steps", n, and m, in the fitting algorithm. Here we discuss the behavior of single turnover DNA unwinding time courses and describe novel methods for nonlinear least-squares analysis that overcome these problems. Analytic expressions for the time courses, f(ss)(t), when obtainable, can be written using gamma and incomplete gamma functions. When analytic expressions are not obtainable, the numerical solution of the inverse Laplace transform can be used to obtain f(ss)(t). Both methods allow n and m to be continuous fitting parameters. These approaches are generally applicable to enzymes that translocate along a lattice or require repetition of a series of steps before product formation.
Diffeomorphic image registration with automatic time-step adjustment
DEFF Research Database (Denmark)
Pai, Akshay Sadananda Uppinakudru; Klein, S.; Sommer, Stefan Horst
2015-01-01
In this paper, we propose an automated Euler's time-step adjustment scheme for diffeomorphic image registration using stationary velocity fields (SVFs). The proposed variational problem aims at bounding the inverse consistency error by adaptively adjusting the number of Euler's step required to r...... accuracy as a fixed time-step scheme however at a much less computational cost....
An explicit multi-time-stepping algorithm for aerodynamic flows
Niemann-Tuitman, B.E.; Veldman, A.E.P.
1997-01-01
An explicit multi-time-stepping algorithm with applications to aerodynamic flows is presented. In the algorithm, in different parts of the computational domain different time steps are taken, and the flow is synchronized at the so-called synchronization levels. The algorithm is validated for aerodynamic turbulent flows. For two-dimensional flows speedups in the order of five with respect to single time stepping are obtained.
One step sintering of homogenized bauxite raw material and kinetic study
Gao, Chang-he; Jiang, Peng; Li, Yong; Sun, Jia-lin; Zhang, Jun-jie; Yang, Huan-ying
2016-10-01
A one-step sintering process of bauxite raw material from direct mining was completed, and the kinetics of this process was analyzed thoroughly. The results show that the sintering kinetics of bauxite raw material exhibits the liquid-phase sintering behavior. A small portion of impurities existed in the raw material act as a liquid phase. After X-ray diffraction analyses, scanning electron microscopy observations, and kinetics calculations, sintering temperature and heating duration were determined as the two major factors contributing to the sintering process and densification of bauxite ore. An elevated heating temperature and longer duration favor the densification process. The major obstacle for the densification of bauxite material is attributed to the formation of the enclosed blowhole during liquid-phase sintering.
Combating cancer one step at a time
Directory of Open Access Journals (Sweden)
R.N Sugitha Nadarajah
2016-10-01
widespread consequences, not only in a medical sense but also socially and economically,” says Dr. Abdel-Rahman. “We need to put in every effort to combat this fatal disease,” he adds.Tackling the spread of cancer and the increase in the number of cases reported every year is not without its challenges, he asserts. “I see the key challenges as the unequal availability of cancer treatments worldwide, the increasing cost of cancer treatment, and the increased median age of the population in many parts of the world, which carries with it a consequent increase in the risk of certain cancers,” he says. “We need to reassess the current pace and orientation of cancer research because, with time, cancer research is becoming industry-oriented rather than academia-oriented — which, in my view, could be very dangerous to the future of cancer research,” adds Dr. Abdel-Rahman. “Governments need to provide more research funding to improve the outcome of cancer patients,” he explains.His efforts and hard work have led to him receiving a number of distinguished awards, namely the UICC International Cancer Technology Transfer (ICRETT fellowship in 2014 at the Investigational New Drugs Unit in the European Institute of Oncology, Milan, Italy; EACR travel fellowship in 2015 at The Christie NHS Foundation Trust, Manchester, UK; and also several travel grants to Ireland, Switzerland, Belgium, Spain, and many other countries where he attended medical conferences. Dr. Abdel-Rahman is currently engaged in a project to establish a clinical/translational cancer research center at his institute, which seeks to incorporate various cancer-related disciplines in order to produce a real bench-to-bedside practice, hoping that it would “change research that may help shape the future of cancer therapy”.Dr. Abdel-Rahman is also an active founding member of the clinical research unit at his institute and is a representative to the prestigious European Organization for Research and
An explicit multi-time-stepping algorithm for aerodynamic flows
Niemann-Tuitman, B.E.; Veldman, A.E.P.
1997-01-01
An explicit multi-time-stepping algorithm with applications to aerodynamic flows is presented. In the algorithm, in different parts of the computational domain different time steps are taken, and the flow is synchronized at the so-called synchronization levels. The algorithm is validated for
Space-time reactor kinetics for heterogeneous reactor structure
Energy Technology Data Exchange (ETDEWEB)
Raisic, N [Boris Kidric Institute of nuclear sciences Vinca, Belgrade (Yugoslavia)
1969-11-15
An attempt is made to formulate time dependent diffusion equation based on Feinberg-Galanin theory in the from analogue to the classical reactor kinetic equation. Parameters of these equations could be calculated using the existing codes for static reactor calculation based on the heterogeneous reactor theory. The obtained kinetic equation could be analogues in form to the nodal kinetic equation. Space-time distribution of neutron flux in the reactor can be obtained by solving these equations using standard methods.
High-resolution seismic wave propagation using local time stepping
Peter, Daniel; Rietmann, Max; Galvez, Percy; Ampuero, Jean Paul
2017-01-01
High-resolution seismic wave simulations often require local refinements in numerical meshes to accurately capture e.g. steep topography or complex fault geometry. Together with explicit time schemes, this dramatically reduces the global time step
Patrone, Paul N.; Einstein, T. L.; Margetis, Dionisios
2010-12-01
We study analytically and numerically a one-dimensional model of interacting line defects (steps) fluctuating on a vicinal crystal. Our goal is to formulate and validate analytical techniques for approximately solving systems of coupled nonlinear stochastic differential equations (SDEs) governing fluctuations in surface motion. In our analytical approach, the starting point is the Burton-Cabrera-Frank (BCF) model by which step motion is driven by diffusion of adsorbed atoms on terraces and atom attachment-detachment at steps. The step energy accounts for entropic and nearest-neighbor elastic-dipole interactions. By including Gaussian white noise to the equations of motion for terrace widths, we formulate large systems of SDEs under different choices of diffusion coefficients for the noise. We simplify this description via (i) perturbation theory and linearization of the step interactions and, alternatively, (ii) a mean-field (MF) approximation whereby widths of adjacent terraces are replaced by a self-consistent field but nonlinearities in step interactions are retained. We derive simplified formulas for the time-dependent terrace-width distribution (TWD) and its steady-state limit. Our MF analytical predictions for the TWD compare favorably with kinetic Monte Carlo simulations under the addition of a suitably conservative white noise in the BCF equations.
Time step size selection for radiation diffusion calculations
International Nuclear Information System (INIS)
Rider, W.J.; Knoll, D.A.
1999-01-01
The purpose of this note is to describe a time step control technique as applied to radiation diffusion. Standard practice only provides a heuristic criteria related to the relative change in the dependent variables. The authors propose an alternative based on relatively simple physical principles. This time step control applies to methods of solution that are unconditionally stable and converges nonlinearities within a time step in the governing equations. Commonly, nonlinearities in the governing equations are evaluated using existing (old time) data. The authors refer to this as the semi-implicit (SI) method. When a method converges nonlinearities within a time step, the entire governing equation including all nonlinearities is self-consistently evaluated using advance time data (with appropriate time centering for accuracy)
Steps of Supercritical Fluid Extraction of Natural Products and Their Characteristic Times
Sovová, H. (Helena)
2012-01-01
Kinetics of supercritical fluid extraction (SFE) from plants is variable due to different micro-structure of plants and their parts, different properties of extracted substances and solvents, and different flow patterns in the extractor. Variety of published mathematical models for SFE of natural products corresponds to this diversification. This study presents simplified equations of extraction curves in terms of characteristic times of four single extraction steps: internal diffusion, exter...
Directory of Open Access Journals (Sweden)
González-Ibarra A.A.
2016-01-01
Full Text Available This work examines the role of NaOH and Ca(OH2 on the hydrothermal decomposition of industrial jarosite deposited by a Mexican company in a tailings dam. The industrial jarosite is mainly composed by natrojarosite and contains 150 g Ag/t, showing a narrow particle size distribution, as revealed by XRD, fire assay, SEM-EDS and laser-diffraction analysis. The effect of the pH, when using NaOH or Ca(OH2 as alkalinizing agent was studied by carrying out decomposition experiments at different pH values and 60°C in a homogeneous size particle system (pH = 8, 9, 10 and 11 and in a heterogeneous size particle system (pH = 11. Also, the kinetic study of the process and the controlling step of the decomposition reaction when NaOH and Ca(OH2 are used was determined by fitting the data obtained to the shrinking core model for spherical particles of constant size. These results, supported by chemical (EDS, morphological (SEM and mapping of elements (EDS analysis of a partially reacted jarosite particle allowed to conclude that when NaOH is used, the process kinetics is controlled by the chemical reaction and when Ca(OH2 is used, the rate determining step is changed to a diffusion control through a layer of solid products.
Patrone, Paul; Einstein, T. L.; Margetis, Dionisios
2011-03-01
We study a 1+1D, stochastic, Burton-Cabrera-Frank (BCF) model of interacting steps fluctuating on a vicinal crystal. The step energy accounts for entropic and nearest-neighbor elastic-dipole interactions. Our goal is to formulate and validate a self-consistent mean-field (MF) formalism to approximately solve the system of coupled, nonlinear stochastic differential equations (SDEs) governing fluctuations in surface motion. We derive formulas for the time-dependent terrace width distribution (TWD) and its steady-state limit. By comparison with kinetic Monte-Carlo simulations, we show that our MF formalism improves upon models in which step interactions are linearized. We also indicate how fitting parameters of our steady state MF TWD may be used to determine the mass transport regime and step interaction energy of certain experimental systems. PP and TLE supported by NSF MRSEC under Grant DMR 05-20471 at U. of Maryland; DM supported by NSF under Grant DMS 08-47587.
Newmark local time stepping on high-performance computing architectures
Rietmann, Max
2016-11-25
In multi-scale complex media, finite element meshes often require areas of local refinement, creating small elements that can dramatically reduce the global time-step for wave-propagation problems due to the CFL condition. Local time stepping (LTS) algorithms allow an explicit time-stepping scheme to adapt the time-step to the element size, allowing near-optimal time-steps everywhere in the mesh. We develop an efficient multilevel LTS-Newmark scheme and implement it in a widely used continuous finite element seismic wave-propagation package. In particular, we extend the standard LTS formulation with adaptations to continuous finite element methods that can be implemented very efficiently with very strong element-size contrasts (more than 100×). Capable of running on large CPU and GPU clusters, we present both synthetic validation examples and large scale, realistic application examples to demonstrate the performance and applicability of the method and implementation on thousands of CPU cores and hundreds of GPUs.
Newmark local time stepping on high-performance computing architectures
Energy Technology Data Exchange (ETDEWEB)
Rietmann, Max, E-mail: max.rietmann@erdw.ethz.ch [Institute for Computational Science, Università della Svizzera italiana, Lugano (Switzerland); Institute of Geophysics, ETH Zurich (Switzerland); Grote, Marcus, E-mail: marcus.grote@unibas.ch [Department of Mathematics and Computer Science, University of Basel (Switzerland); Peter, Daniel, E-mail: daniel.peter@kaust.edu.sa [Institute for Computational Science, Università della Svizzera italiana, Lugano (Switzerland); Institute of Geophysics, ETH Zurich (Switzerland); Schenk, Olaf, E-mail: olaf.schenk@usi.ch [Institute for Computational Science, Università della Svizzera italiana, Lugano (Switzerland)
2017-04-01
In multi-scale complex media, finite element meshes often require areas of local refinement, creating small elements that can dramatically reduce the global time-step for wave-propagation problems due to the CFL condition. Local time stepping (LTS) algorithms allow an explicit time-stepping scheme to adapt the time-step to the element size, allowing near-optimal time-steps everywhere in the mesh. We develop an efficient multilevel LTS-Newmark scheme and implement it in a widely used continuous finite element seismic wave-propagation package. In particular, we extend the standard LTS formulation with adaptations to continuous finite element methods that can be implemented very efficiently with very strong element-size contrasts (more than 100x). Capable of running on large CPU and GPU clusters, we present both synthetic validation examples and large scale, realistic application examples to demonstrate the performance and applicability of the method and implementation on thousands of CPU cores and hundreds of GPUs.
Newmark local time stepping on high-performance computing architectures
Rietmann, Max; Grote, Marcus; Peter, Daniel; Schenk, Olaf
2016-01-01
In multi-scale complex media, finite element meshes often require areas of local refinement, creating small elements that can dramatically reduce the global time-step for wave-propagation problems due to the CFL condition. Local time stepping (LTS) algorithms allow an explicit time-stepping scheme to adapt the time-step to the element size, allowing near-optimal time-steps everywhere in the mesh. We develop an efficient multilevel LTS-Newmark scheme and implement it in a widely used continuous finite element seismic wave-propagation package. In particular, we extend the standard LTS formulation with adaptations to continuous finite element methods that can be implemented very efficiently with very strong element-size contrasts (more than 100×). Capable of running on large CPU and GPU clusters, we present both synthetic validation examples and large scale, realistic application examples to demonstrate the performance and applicability of the method and implementation on thousands of CPU cores and hundreds of GPUs.
Multi-time-step domain coupling method with energy control
DEFF Research Database (Denmark)
Mahjoubi, N.; Krenk, Steen
2010-01-01
the individual time step. It is demonstrated that displacement continuity between the subdomains leads to cancelation of the interface contributions to the energy balance equation, and thus stability and algorithmic damping properties of the original algorithms are retained. The various subdomains can...... by a numerical example using a refined mesh around concentrated forces. Copyright © 2010 John Wiley & Sons, Ltd....
Sharing Steps in the Workplace: Changing Privacy Concerns Over Time
DEFF Research Database (Denmark)
Jensen, Nanna Gorm; Shklovski, Irina
2016-01-01
study of a Danish workplace participating in a step counting campaign. We find that concerns of employees who choose to participate and those who choose not to differ. Moreover, privacy concerns of participants develop and change over time. Our findings challenge the assumption that consumers...
Studies on steps affecting tritium residence time in solid blanket
International Nuclear Information System (INIS)
Tanaka, Satoru
1987-01-01
For the self sustaining of CTR fuel cycle, the effective tritium recovery from blankets is essential. This means that not only tritium breeding ratio must be larger than 1.0, but also high recovering speed is required for the short residence time of tritium in blankets. Short residence time means that the tritium inventory in blankets is small. In this paper, the tritium residence time and tritium inventory in a solid blanket are modeled by considering the steps constituting tritium release. Some of these tritium migration processes were experimentally evaluated. The tritium migration steps in a solid blanket using sintered breeding materials consist of diffusion in grains, desorption at grain edges, diffusion and permeation through grain boundaries, desorption at particle edges, diffusion and percolation through interconnected pores to purging stream, and convective mass transfer to stream. Corresponding to these steps, diffusive, soluble, adsorbed and trapped tritium inventories and the tritium in gas phase are conceivable. The code named TTT was made for calculating these tritium inventories and the residence time of tritium. An example of the results of calculation is shown. The blanket is REPUTER-1, which is the conceptual design of a commercial reversed field pinch fusion reactor studied at the University of Tokyo. The experimental studies on the migration steps of tritium are reported. (Kako, I.)
One-step reduced kinetics for lean hydrogen-air deflagration
Energy Technology Data Exchange (ETDEWEB)
Fernandez-Galisteo, D.; Sanchez, A.L. [Area de Mecanica de Fluidos, Univ. Carlos III de Madrid, Leganes 28911 (Spain); Linan, A. [ETSI Aeronauticos, Pl. Cardenal Cisneros 3, Madrid 28040 (Spain); Williams, F.A. [Dept. of Mechanical and Aerospace Engineering, University of California San Diego, La Jolla, CA 92093-0411 (United States)
2009-05-15
A short mechanism consisting of seven elementary reactions, of which only three are reversible, is shown to provide good predictions of hydrogen-air lean-flame burning velocities. This mechanism is further simplified by noting that over a range of conditions of practical interest, near the lean flammability limit all reaction intermediaries have small concentrations in the important thin reaction zone that controls the hydrogen-air laminar burning velocity and therefore follow a steady state approximation, while the main species react according to the global irreversible reaction 2H{sub 2} + O{sub 2} {yields} 2H{sub 2}O. An explicit expression for the non-Arrhenius rate of this one-step overall reaction for hydrogen oxidation is derived from the seven-step detailed mechanism, for application near the flammability limit. The one-step results are used to calculate flammability limits and burning velocities of planar deflagrations. Furthermore, implications concerning radical profiles in the deflagration and reasons for the success of the approximations are clarified. It is also demonstrated that adding only two irreversible direct recombination steps to the seven-step mechanism accurately reproduces burning velocities of the full detailed mechanism for all equivalence ratios at normal atmospheric conditions and that an eight-step detailed mechanism, constructed from the seven-step mechanism by adding to it the fourth reversible shuffle reaction, improves predictions of O and OH profiles. The new reduced-chemistry descriptions can be useful for both analytical and computational studies of lean hydrogen-air flames, decreasing required computation times. (author)
Microsecond time-scale kinetics of transient biochemical reactions
Mitic, S.; Strampraad, M.J.F.; Hagen, W.R.; de Vries, S.
2017-01-01
To afford mechanistic studies in enzyme kinetics and protein folding in the microsecond time domain we have developed a continuous-flow microsecond time-scale mixing instrument with an unprecedented dead-time of 3.8 ± 0.3 μs. The instrument employs a micro-mixer with a mixing time of 2.7 μs
A parallel nearly implicit time-stepping scheme
Botchev, Mike A.; van der Vorst, Henk A.
2001-01-01
Across-the-space parallelism still remains the most mature, convenient and natural way to parallelize large scale problems. One of the major problems here is that implicit time stepping is often difficult to parallelize due to the structure of the system. Approximate implicit schemes have been suggested to circumvent the problem. These schemes have attractive stability properties and they are also very well parallelizable. The purpose of this article is to give an overall assessment of the pa...
Adaptive time-stepping Monte Carlo integration of Coulomb collisions
Särkimäki, K.; Hirvijoki, E.; Terävä, J.
2018-01-01
We report an accessible and robust tool for evaluating the effects of Coulomb collisions on a test particle in a plasma that obeys Maxwell-Jüttner statistics. The implementation is based on the Beliaev-Budker collision integral which allows both the test particle and the background plasma to be relativistic. The integration method supports adaptive time stepping, which is shown to greatly improve the computational efficiency. The Monte Carlo method is implemented for both the three-dimensional particle momentum space and the five-dimensional guiding center phase space. Detailed description is provided for both the physics and implementation of the operator. The focus is in adaptive integration of stochastic differential equations, which is an overlooked aspect among existing Monte Carlo implementations of Coulomb collision operators. We verify that our operator converges to known analytical results and demonstrate that careless implementation of the adaptive time step can lead to severely erroneous results. The operator is provided as a self-contained Fortran 95 module and can be included into existing orbit-following tools that trace either the full Larmor motion or the guiding center dynamics. The adaptive time-stepping algorithm is expected to be useful in situations where the collision frequencies vary greatly over the course of a simulation. Examples include the slowing-down of fusion products or other fast ions, and the Dreicer generation of runaway electrons as well as the generation of fast ions or electrons with ion or electron cyclotron resonance heating.
Multiple time step integrators in ab initio molecular dynamics
International Nuclear Information System (INIS)
Luehr, Nathan; Martínez, Todd J.; Markland, Thomas E.
2014-01-01
Multiple time-scale algorithms exploit the natural separation of time-scales in chemical systems to greatly accelerate the efficiency of molecular dynamics simulations. Although the utility of these methods in systems where the interactions are described by empirical potentials is now well established, their application to ab initio molecular dynamics calculations has been limited by difficulties associated with splitting the ab initio potential into fast and slowly varying components. Here we present two schemes that enable efficient time-scale separation in ab initio calculations: one based on fragment decomposition and the other on range separation of the Coulomb operator in the electronic Hamiltonian. We demonstrate for both water clusters and a solvated hydroxide ion that multiple time-scale molecular dynamics allows for outer time steps of 2.5 fs, which are as large as those obtained when such schemes are applied to empirical potentials, while still allowing for bonds to be broken and reformed throughout the dynamics. This permits computational speedups of up to 4.4x, compared to standard Born-Oppenheimer ab initio molecular dynamics with a 0.5 fs time step, while maintaining the same energy conservation and accuracy
Rogatzki, Matthew J.; Kernozek, Thomas W.; Willson, John D.; Greany, John F.; Hong, Di-An; Porcari, John P.
2012-01-01
Kinematic, kinetic, and electromyography data were collected from the biceps femoris, rectus femoris (RF), gluteus maximus, and erector spinae (ES) during a step and elliptical exercise at a standardized workload with no hand use. Findings depicted 95% greater ankle plantar flexion (p = 0.01), 29% more knee extension (p = 0.003), 101% higher peak…
Hakim, Layal; Lacaze, Guilhem; Khalil, Mohammad; Sargsyan, Khachik; Najm, Habib; Oefelein, Joseph
2018-05-01
This paper demonstrates the development of a simple chemical kinetics model designed for autoignition of n-dodecane in air using Bayesian inference with a model-error representation. The model error, i.e. intrinsic discrepancy from a high-fidelity benchmark model, is represented by allowing additional variability in selected parameters. Subsequently, we quantify predictive uncertainties in the results of autoignition simulations of homogeneous reactors at realistic diesel engine conditions. We demonstrate that these predictive error bars capture model error as well. The uncertainty propagation is performed using non-intrusive spectral projection that can also be used in principle with larger scale computations, such as large eddy simulation. While the present calibration is performed to match a skeletal mechanism, it can be done with equal success using experimental data only (e.g. shock-tube measurements). Since our method captures the error associated with structural model simplifications, we believe that the optimised model could then lead to better qualified predictions of autoignition delay time in high-fidelity large eddy simulations than the existing detailed mechanisms. This methodology provides a way to reduce the cost of reaction kinetics in simulations systematically, while quantifying the accuracy of predictions of important target quantities.
[Collaborative application of BEPS at different time steps.
Lu, Wei; Fan, Wen Yi; Tian, Tian
2016-09-01
BEPSHourly is committed to simulate the ecological and physiological process of vegetation at hourly time steps, and is often applied to analyze the diurnal change of gross primary productivity (GPP), net primary productivity (NPP) at site scale because of its more complex model structure and time-consuming solving process. However, daily photosynthetic rate calculation in BEPSDaily model is simpler and less time-consuming, not involving many iterative processes. It is suitable for simulating the regional primary productivity and analyzing the spatial distribution of regional carbon sources and sinks. According to the characteristics and applicability of BEPSDaily and BEPSHourly models, this paper proposed a method of collaborative application of BEPS at daily and hourly time steps. Firstly, BEPSHourly was used to optimize the main photosynthetic parameters: the maximum rate of carboxylation (V c max ) and the maximum rate of photosynthetic electron transport (J max ) at site scale, and then the two optimized parameters were introduced into BEPSDaily model to estimate regional NPP at regional scale. The results showed that optimization of the main photosynthesis parameters based on the flux data could improve the simulate ability of the model. The primary productivity of different forest types in descending order was deciduous broad-leaved forest, mixed forest, coniferous forest in 2011. The collaborative application of carbon cycle models at different steps proposed in this study could effectively optimize the main photosynthesis parameters V c max and J max , simulate the monthly averaged diurnal GPP, NPP, calculate the regional NPP, and analyze the spatial distribution of regional carbon sources and sinks.
Time step size limitation introduced by the BSSN Gamma Driver
Energy Technology Data Exchange (ETDEWEB)
Schnetter, Erik, E-mail: schnetter@cct.lsu.ed [Department of Physics and Astronomy, Louisiana State University, LA (United States)
2010-08-21
Many mesh refinement simulations currently performed in numerical relativity counteract instabilities near the outer boundary of the simulation domain either by changes to the mesh refinement scheme or by changes to the gauge condition. We point out that the BSSN Gamma Driver gauge condition introduces a time step size limitation in a similar manner as a Courant-Friedrichs-Lewy condition, but which is independent of the spatial resolution. We give a didactic explanation of this issue, show why, especially, mesh refinement simulations suffer from it, and point to a simple remedy. (note)
International Nuclear Information System (INIS)
Park, Yujin; Kazantzis, Nikolaos; Parlos, Alexander G.; Chong, Kil To
2013-01-01
Highlights: • Numerical solution for stiff differential equations using matrix exponential method. • The approximation is based on First Order Hold assumption. • Various input examples applied to the point kinetics equations. • The method shows superior useful and effective activity. - Abstract: A system of nonlinear differential equations is derived to model the dynamics of neutron density and the delayed neutron precursors within a point kinetics equation modeling framework for a nuclear reactor. The point kinetic equations are mathematically characterized as stiff, occasionally nonlinear, ordinary differential equations, posing significant challenges when numerical solutions are sought and traditionally resulting in the need for smaller time step intervals within various computational schemes. In light of the above realization, the present paper proposes a new discretization method inspired by system-theoretic notions and technically based on a combination of the matrix exponential method (MEM) and the First-Order Hold (FOH) assumption. Under the proposed time discretization structure, the sampled-data representation of the nonlinear point kinetic system of equations is derived. The performance of the proposed time discretization procedure is evaluated using several case studies with sinusoidal reactivity profiles and multiple input examples (reactivity and neutron source function). It is shown, that by applying the proposed method under a First-Order Hold for the neutron density and the precursor concentrations at each time step interval, the stiffness problem associated with the point kinetic equations can be adequately addressed and resolved. Finally, as evidenced by the aforementioned detailed simulation studies, the proposed method retains its validity and accuracy for a wide range of reactor operating conditions, including large sampling periods dictated by physical and/or technical limitations associated with the current state of sensor and
Positivity-preserving dual time stepping schemes for gas dynamics
Parent, Bernard
2018-05-01
A new approach at discretizing the temporal derivative of the Euler equations is here presented which can be used with dual time stepping. The temporal discretization stencil is derived along the lines of the Cauchy-Kowalevski procedure resulting in cross differences in spacetime but with some novel modifications which ensure the positivity of the discretization coefficients. It is then shown that the so-obtained spacetime cross differences result in changes to the wave speeds and can thus be incorporated within Roe or Steger-Warming schemes (with and without reconstruction-evolution) simply by altering the eigenvalues. The proposed approach is advantaged over alternatives in that it is positivity-preserving for the Euler equations. Further, it yields monotone solutions near discontinuities while exhibiting a truncation error in smooth regions less than the one of the second- or third-order accurate backward-difference-formula (BDF) for either small or large time steps. The high resolution and positivity preservation of the proposed discretization stencils are independent of the convergence acceleration technique which can be set to multigrid, preconditioning, Jacobian-free Newton-Krylov, block-implicit, etc. Thus, the current paper also offers the first implicit integration of the time-accurate Euler equations that is positivity-preserving in the strict sense (that is, the density and temperature are guaranteed to remain positive). This is in contrast to all previous positivity-preserving implicit methods which only guaranteed the positivity of the density, not of the temperature or pressure. Several stringent reacting and inert test cases confirm the positivity-preserving property of the proposed method as well as its higher resolution and higher computational efficiency over other second-order and third-order implicit temporal discretization strategies.
The importance of time-stepping errors in ocean models
Williams, P. D.
2011-12-01
Many ocean models use leapfrog time stepping. The Robert-Asselin (RA) filter is usually applied after each leapfrog step, to control the computational mode. However, it will be shown in this presentation that the RA filter generates very large amounts of numerical diapycnal mixing. In some ocean models, the numerical diapycnal mixing from the RA filter is as large as the physical diapycnal mixing. This lowers our confidence in the fidelity of the simulations. In addition to the above problem, the RA filter also damps the physical solution and degrades the numerical accuracy. These two concomitant problems occur because the RA filter does not conserve the mean state, averaged over the three time slices on which it operates. The presenter has recently proposed a simple modification to the RA filter, which does conserve the three-time-level mean state. The modified filter has become known as the Robert-Asselin-Williams (RAW) filter. When used in conjunction with the leapfrog scheme, the RAW filter eliminates the numerical damping of the physical solution and increases the amplitude accuracy by two orders, yielding third-order accuracy. The phase accuracy is unaffected and remains second-order. The RAW filter can easily be incorporated into existing models of the ocean, typically via the insertion of just a single line of code. Better simulations are obtained, at almost no additional computational expense. Results will be shown from recent implementations of the RAW filter in various ocean models. For example, in the UK Met Office Hadley Centre ocean model, sea-surface temperature and sea-ice biases in the North Atlantic Ocean are found to be reduced. These improvements are encouraging for the use of the RAW filter in other ocean models.
Nodal approximations in space and time for neutron kinetics
International Nuclear Information System (INIS)
Grossman, L.M.; Hennart, J.P.
2005-01-01
A general formalism is described of the nodal type in time and space for the neutron kinetics equations. In space, several nodal methods are given of the Raviart-Thomas type (RT0 and RT1), of the Brezzi-Douglas-Marini type (BDM0 and BDM1) and of the Brezzi-Douglas-Fortin-Marini type (BDFM 1). In time, polynomial and analytical approximations are derived. In the analytical case, they are based on the inclusion of an exponential term in the basis function. They can be continuous or discontinuous in time, leading in particular to the well-known Crank-Nicolson, Backward Euler and θ schemes
Stehle, Robert; Tesi, Chiara
2017-08-01
A basic goal in muscle research is to understand how the cyclic ATPase activity of cross-bridges is converted into mechanical force. A direct approach to study the chemo-mechanical coupling between P i release and the force-generating step is provided by the kinetics of force response induced by a rapid change in [P i ]. Classical studies on fibres using caged-P i discovered that rapid increases in [P i ] induce fast force decays dependent on final [P i ] whose kinetics were interpreted to probe a fast force-generating step prior to P i release. However, this hypothesis was called into question by studies on skeletal and cardiac myofibrils subjected to P i jumps in both directions (increases and decreases in [P i ]) which revealed that rapid decreases in [P i ] trigger force rises with slow kinetics, similar to those of calcium-induced force development and mechanically-induced force redevelopment at the same [P i ]. A possible explanation for this discrepancy came from imaging of individual sarcomeres in cardiac myofibrils, showing that the fast force decay upon increase in [P i ] results from so-called sarcomere 'give'. The slow force rise upon decrease in [P i ] was found to better reflect overall sarcomeres cross-bridge kinetics and its [P i ] dependence, suggesting that the force generation coupled to P i release cannot be separated from the rate-limiting transition. The reasons for the different conclusions achieved in fibre and myofibril studies are re-examined as the recent findings on cardiac myofibrils have fundamental consequences for the coupling between P i release, rate-limiting steps and force generation. The implications from P i -induced force kinetics of myofibrils are discussed in combination with historical and recent models of the cross-bridge cycle.
Kinetics of protein–ligand unbinding: Predicting pathways, rates, and rate-limiting steps
Tiwary, Pratyush; Limongelli, Vittorio; Salvalaglio, Matteo; Parrinello, Michele
2015-01-01
The ability to predict the mechanisms and the associated rate constants of protein–ligand unbinding is of great practical importance in drug design. In this work we demonstrate how a recently introduced metadynamics-based approach allows exploration of the unbinding pathways, estimation of the rates, and determination of the rate-limiting steps in the paradigmatic case of the trypsin–benzamidine system. Protein, ligand, and solvent are described with full atomic resolution. Using metadynamics, multiple unbinding trajectories that start with the ligand in the crystallographic binding pose and end with the ligand in the fully solvated state are generated. The unbinding rate koff is computed from the mean residence time of the ligand. Using our previously computed binding affinity we also obtain the binding rate kon. Both rates are in agreement with reported experimental values. We uncover the complex pathways of unbinding trajectories and describe the critical rate-limiting steps with unprecedented detail. Our findings illuminate the role played by the coupling between subtle protein backbone fluctuations and the solvation by water molecules that enter the binding pocket and assist in the breaking of the shielded hydrogen bonds. We expect our approach to be useful in calculating rates for general protein–ligand systems and a valid support for drug design. PMID:25605901
Multiple-time-stepping generalized hybrid Monte Carlo methods
Energy Technology Data Exchange (ETDEWEB)
Escribano, Bruno, E-mail: bescribano@bcamath.org [BCAM—Basque Center for Applied Mathematics, E-48009 Bilbao (Spain); Akhmatskaya, Elena [BCAM—Basque Center for Applied Mathematics, E-48009 Bilbao (Spain); IKERBASQUE, Basque Foundation for Science, E-48013 Bilbao (Spain); Reich, Sebastian [Universität Potsdam, Institut für Mathematik, D-14469 Potsdam (Germany); Azpiroz, Jon M. [Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU) and Donostia International Physics Center (DIPC), P.K. 1072, Donostia (Spain)
2015-01-01
Performance of the generalized shadow hybrid Monte Carlo (GSHMC) method [1], which proved to be superior in sampling efficiency over its predecessors [2–4], molecular dynamics and hybrid Monte Carlo, can be further improved by combining it with multi-time-stepping (MTS) and mollification of slow forces. We demonstrate that the comparatively simple modifications of the method not only lead to better performance of GSHMC itself but also allow for beating the best performed methods, which use the similar force splitting schemes. In addition we show that the same ideas can be successfully applied to the conventional generalized hybrid Monte Carlo method (GHMC). The resulting methods, MTS-GHMC and MTS-GSHMC, provide accurate reproduction of thermodynamic and dynamical properties, exact temperature control during simulation and computational robustness and efficiency. MTS-GHMC uses a generalized momentum update to achieve weak stochastic stabilization to the molecular dynamics (MD) integrator. MTS-GSHMC adds the use of a shadow (modified) Hamiltonian to filter the MD trajectories in the HMC scheme. We introduce a new shadow Hamiltonian formulation adapted to force-splitting methods. The use of such Hamiltonians improves the acceptance rate of trajectories and has a strong impact on the sampling efficiency of the method. Both methods were implemented in the open-source MD package ProtoMol and were tested on a water and a protein systems. Results were compared to those obtained using a Langevin Molly (LM) method [5] on the same systems. The test results demonstrate the superiority of the new methods over LM in terms of stability, accuracy and sampling efficiency. This suggests that putting the MTS approach in the framework of hybrid Monte Carlo and using the natural stochasticity offered by the generalized hybrid Monte Carlo lead to improving stability of MTS and allow for achieving larger step sizes in the simulation of complex systems.
Zuccaro, Laura; Tesauro, Cinzia; Kurkina, Tetiana; Fiorani, Paola; Yu, Hak Ki; Knudsen, Birgitta R; Kern, Klaus; Desideri, Alessandro; Balasubramanian, Kannan
2015-11-24
Monolayer graphene field-effect sensors operating in liquid have been widely deployed for detecting a range of analyte species often under equilibrium conditions. Here we report on the real-time detection of the binding kinetics of the essential human enzyme, topoisomerase I interacting with substrate molecules (DNA probes) that are immobilized electrochemically on to monolayer graphene strips. By monitoring the field-effect characteristics of the graphene biosensor in real-time during the enzyme-substrate interactions, we are able to decipher the surface binding constant for the cleavage reaction step of topoisomerase I activity in a label-free manner. Moreover, an appropriate design of the capture probes allows us to distinctly follow the cleavage step of topoisomerase I functioning in real-time down to picomolar concentrations. The presented results are promising for future rapid screening of drugs that are being evaluated for regulating enzyme activity.
Extending Newton's law from nonlocal-in-time kinetic energy
International Nuclear Information System (INIS)
Suykens, J.A.K.
2009-01-01
We study a new equation of motion derived from a context of classical Newtonian mechanics by replacing the kinetic energy with a form of nonlocal-in-time kinetic energy. It leads to a hypothetical extension of Newton's second law of motion. In a first stage the obtainable solution form is studied by considering an unknown value for the nonlocality time extent. This is done in relation to higher-order Euler-Lagrange equations and a Hamiltonian framework. In a second stage the free particle case and harmonic oscillator case are studied and compared with quantum mechanical results. For a free particle it is shown that the solution form is a superposition of the classical straight line motion and a Fourier series. We discuss the link with quanta interpretations made in Pais-Uhlenbeck oscillators. The discrete nature emerges from the continuous time setting through application of the least action principle. The harmonic oscillator case leads to energy levels that approximately correspond to the quantum harmonic oscillator levels. The solution to the extended Newton equation also admits a quantization of the nonlocality time extent, which is determined by the classical oscillator frequency. The extended equation suggests a new possible way for understanding the relationship between classical and quantum mechanics
Machicoane, Nathanaël; López-Caballero, Miguel; Bourgoin, Mickael; Aliseda, Alberto; Volk, Romain
2017-10-01
We present a method to improve the accuracy of velocity measurements for fluid flow or particles immersed in it, based on a multi-time-step approach that allows for cancellation of noise in the velocity measurements. Improved velocity statistics, a critical element in turbulent flow measurements, can be computed from the combination of the velocity moments computed using standard particle tracking velocimetry (PTV) or particle image velocimetry (PIV) techniques for data sets that have been collected over different values of time intervals between images. This method produces Eulerian velocity fields and Lagrangian velocity statistics with much lower noise levels compared to standard PIV or PTV measurements, without the need of filtering and/or windowing. Particle displacement between two frames is computed for multiple different time-step values between frames in a canonical experiment of homogeneous isotropic turbulence. The second order velocity structure function of the flow is computed with the new method and compared to results from traditional measurement techniques in the literature. Increased accuracy is also demonstrated by comparing the dissipation rate of turbulent kinetic energy measured from this function against previously validated measurements.
Aggressive time step selection for the time asymptotic velocity diffusion problem
International Nuclear Information System (INIS)
Hewett, D.W.; Krapchev, V.B.; Hizanidis, K.; Bers, A.
1984-12-01
An aggressive time step selector for an ADI algorithm is preseneted that is applied to the linearized 2-D Fokker-Planck equation including an externally imposed quasilinear diffusion term. This method provides a reduction in CPU requirements by factors of two or three compared to standard ADI. More important, the robustness of the procedure greatly reduces the work load of the user. The procedure selects a nearly optimal Δt with a minimum of intervention by the user thus relieving the need to supervise the algorithm. In effect, the algorithm does its own supervision by discarding time steps made with Δt too large
On the theory of time dilation in chemical kinetics
Baig, Mirza Wasif
2017-10-01
The rates of chemical reactions are not absolute but their magnitude depends upon the relative speeds of the moving observers. This has been proved by unifying basic theories of chemical kinetics, which are transition state theory, collision theory, RRKM and Marcus theory, with the special theory of relativity. Boltzmann constant and energy spacing between permitted quantum levels of molecules are quantum mechanically proved to be Lorentz variant. The relativistic statistical thermodynamics has been developed to explain quasi-equilibrium existing between reactants and activated complex. The newly formulated Lorentz transformation of the rate constant from Arrhenius equation, of the collision frequency and of the Eyring and Marcus equations renders the rate of reaction to be Lorentz variant. For a moving observer moving at fractions of the speed of light along the reaction coordinate, the transition state possess less kinetic energy to sweep translation over it. This results in the slower transformation of reactants into products and in a stretched time frame for the chemical reaction to complete. Lorentz transformation of the half-life equation explains time dilation of the half-life period of chemical reactions and proves special theory of relativity and presents theory in accord with each other. To demonstrate the effectiveness of the present theory, the enzymatic reaction of methylamine dehydrogenase and radioactive disintegration of Astatine into Bismuth are considered as numerical examples.
Result Variation and Efficiency Kinetics in Real-Time PCR
Directory of Open Access Journals (Sweden)
Reza Shahsiah
2010-10-01
Full Text Available Fluorescent monitoring of DNA amplification is the basis of real-time PCR. Absolute quantification can be achieved using a standard curve method. The standard curve is constructed by amplifying known amounts of standards under identical conditions to that of the samples.The objective of the current study is to propose a mathematical model to assess the acceptability of PCR resulys.Four commercial standards for HCV-RNA (hepatitis C virus RNA along with 6 patient samples were measured by real-time PCR, using two different RT-PCR reagents. The standard deviation of regression (Sy,x was calculated for each group of standard and compared by F-Test. The efficiency kinetics was computed by logistic regression, c2 goodness of fit test was preformed to assess the appropriateness of the efficiency curves.Calculated efficiencies were not significantly different from the value predicted by logistic regression model. Reactions with more variation showed less stable efficiency curves, with wider range of amplification efficiencies.Amplification efficiency kinetics can be computed by fitting a logistic regression curve to the gathered fluorescent data of each reaction. This model can be employed to assess the acceptability of PCR results calculated by standard curve method.
Modified mean generation time parameter in the neutron point kinetics equations
Energy Technology Data Exchange (ETDEWEB)
Diniz, Rodrigo C.; Gonçalves, Alessandro C.; Rosa, Felipe S.S., E-mail: alessandro@nuclear.ufrj.br, E-mail: frosa@if.ufrj.br [Coordenacao de Pos-Graduacao e Pesquisa de Engenharia (PEN/COPPE/UFRJ), Rio de Janeiro, RJ (Brazil)
2017-07-01
This paper proposes an approximation for the modified point kinetics equations proposed by NUNES et. al, 2015, through the adjustment of a kinetic parameter. This approximation consists of analyzing the terms of the modified point kinetics equations in order to identify the least important ones for the solution, resulting in a modification of the mean generation time parameter that incorporates all influences of the additional terms of the modified kinetics. This approximation is applied on the inverse kinetics, to compare the results with the inverse kinetics from the modified kinetics in order to validate the proposed model. (author)
Modified mean generation time parameter in the neutron point kinetics equations
International Nuclear Information System (INIS)
Diniz, Rodrigo C.; Gonçalves, Alessandro C.; Rosa, Felipe S.S.
2017-01-01
This paper proposes an approximation for the modified point kinetics equations proposed by NUNES et. al, 2015, through the adjustment of a kinetic parameter. This approximation consists of analyzing the terms of the modified point kinetics equations in order to identify the least important ones for the solution, resulting in a modification of the mean generation time parameter that incorporates all influences of the additional terms of the modified kinetics. This approximation is applied on the inverse kinetics, to compare the results with the inverse kinetics from the modified kinetics in order to validate the proposed model. (author)
Reich, Jason; Wang, Linlin; Johnson, Duane
2013-03-01
We detail the results of a Density Functional Theory (DFT) based study of hydrogen desorption, including thermodynamics and kinetics with(out) catalytic dopants, on stepped (110) rutile and nanocluster MgH2. We investigate competing configurations (optimal surface and nanoparticle configurations) using simulated annealing with additional converged results at 0 K, necessary for finding the low-energy, doped MgH2 nanostructures. Thermodynamics of hydrogen desorption from unique dopant sites will be shown, as well as activation energies using the Nudged Elastic Band algorithm. To compare to experiment, both stepped structures and nanoclusters are required to understanding and predict the effects of ball milling. We demonstrate how these model systems relate to the intermediary sized structures typically seen in ball milling experiments.
Shape based kinetic outlier detection in real-time PCR
Directory of Open Access Journals (Sweden)
D'Atri Mario
2010-04-01
Full Text Available Abstract Background Real-time PCR has recently become the technique of choice for absolute and relative nucleic acid quantification. The gold standard quantification method in real-time PCR assumes that the compared samples have similar PCR efficiency. However, many factors present in biological samples affect PCR kinetic, confounding quantification analysis. In this work we propose a new strategy to detect outlier samples, called SOD. Results Richards function was fitted on fluorescence readings to parameterize the amplification curves. There was not a significant correlation between calculated amplification parameters (plateau, slope and y-coordinate of the inflection point and the Log of input DNA demonstrating that this approach can be used to achieve a "fingerprint" for each amplification curve. To identify the outlier runs, the calculated parameters of each unknown sample were compared to those of the standard samples. When a significant underestimation of starting DNA molecules was found, due to the presence of biological inhibitors such as tannic acid, IgG or quercitin, SOD efficiently marked these amplification profiles as outliers. SOD was subsequently compared with KOD, the current approach based on PCR efficiency estimation. The data obtained showed that SOD was more sensitive than KOD, whereas SOD and KOD were equally specific. Conclusion Our results demonstrated, for the first time, that outlier detection can be based on amplification shape instead of PCR efficiency. SOD represents an improvement in real-time PCR analysis because it decreases the variance of data thus increasing the reliability of quantification.
Enzyme kinetics and identification of the rate-limiting step of enzymatic arabinoxylan degradation
DEFF Research Database (Denmark)
Rasmussen, Louise Enggaard; Xu, Cheng; Sørensen, Jens
2012-01-01
This study investigated the kinetics of multi-enzymatic degradation of soluble wheat arabinoxylan by monitoring the release of xylose and arabinose during designed treatments with mono-component enzymes at different substrate concentrations. The results of different combinations of α...... α-l-arabinofuranosidases catalyze liberation of arabinose residues linked 1→3 to singly (AFAn) or doubly (AFBa) substituted xyloses in arabinoxylan, respectively. When added to arabinoxylan at equimolar levels, the AFBa enzyme catalyzed the release of more arabinose, i.e. had a higher rate constant...... than AFAn, but with respect to the xylose release, AFAn – as expected – exhibited a better synergistic effect than AFBa with β-xylosidase. This synergistic effect with AFAn was estimated to increase the number of β-xylosidase catalyzed cuts from ∼3 (with β-xylosidase alone) to ∼7 in each arabinoxylan...
Binary nucleation kinetics. III. Transient behavior and time lags
International Nuclear Information System (INIS)
Wyslouzil, B.E.; Wilemski, G.
1996-01-01
Transient binary nucleation is more complex than unary because of the bidimensionality of the cluster formation kinetics. To investigate this problem qualitatively and quantitatively, we numerically solved the birth-death equations for vapor-to-liquid phase transitions. Our previous work showed that the customary saddle point and growth path approximations are almost always valid in steady state gas phase nucleation and only fail if the nucleated solution phase is significantly nonideal. Now, we demonstrate that in its early transient stages, binary nucleation rarely, if ever, occurs via the saddle point. This affects not only the number of particles forming but their composition and may be important for nucleation in glasses and other condensed mixtures for which time scales are very long. Before reaching the state of saddle point nucleation, most binary systems pass through a temporary stage in which the region of maximum flux extends over a ridge on the free energy surface. When ridge crossing nucleation is the steady state solution, it thus arises quite naturally as an arrested intermediate state that normally occurs in the development of saddle point nucleation. While the time dependent and steady state distributions of the fluxes and concentrations for each binary system are strongly influenced by the gas composition and species impingement rates, the ratio of nonequilibrium to equilibrium concentrations has a quasiuniversal behavior that is determined primarily by the thermodynamic properties of the liquid mixture. To test our quantitive results of the transient behavior, we directly calculated the time lag for the saddle point flux and compared it with the available analytical predictions. Although the analytical results overestimate the time lag by factors of 1.2-5, they should be adequate for purposes of planning experiments. We also found that the behavior of the saddle point time lag can indicate when steady state ridge crossing nucleation will occur
Kinetic Mechanism of OMP Synthase: A Slow Physical Step Following
DEFF Research Database (Denmark)
Wang, G.P.; Lundegaard, Claus; Jensen, Kaj Frank
1999-01-01
medium was increased with sucrose, the forward kcat decreased in proportion to ¿rel with a slope of 0.8. In the reverse reaction a more limited dependence of kcat (slope = 0.3) was observed. On the basis of the known structures of OPRTase, we propose that a highly conserved, catalytically important......, solvent-exposed loop descends during catalysis to shield the active site. In the accompanying paper, the slow product release step is shown to relate to movement of the solvent-exposed loop....
Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice
Lin, Chuanlong; Yong, Xue; Tse, John S.; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kenney-Benson, Curtis; Shen, Guoyin
2017-09-01
We report the results of in situ structural characterization of the amorphization of crystalline ice Ih under compression and the relaxation of high-density amorphous (HDA) ice under decompression at temperatures between 96 and 160 K by synchrotron x-ray diffraction. The results show that ice Ih transforms to an intermediate crystalline phase at 100 K prior to complete amorphization, which is supported by molecular dynamics calculations. The phase transition pathways show clear temperature dependence: direct amorphization without an intermediate phase is observed at 133 K, while at 145 K a direct Ih-to-IX transformation is observed; decompression of HDA shows a transition to low-density amorphous ice at 96 K and ˜1 Pa , to ice Ic at 135 K and to ice IX at 145 K. These observations show that the amorphization of compressed ice Ih and the recrystallization of decompressed HDA are strongly dependent on temperature and controlled by kinetic barriers. Pressure-induced amorphous ice is an intermediate state in the phase transition from the connected H-bond water network in low pressure ices to the independent and interpenetrating H-bond network of high-pressure ices.
Coherent states for the time dependent harmonic oscillator: the step function
International Nuclear Information System (INIS)
Moya-Cessa, Hector; Fernandez Guasti, Manuel
2003-01-01
We study the time evolution for the quantum harmonic oscillator subjected to a sudden change of frequency. It is based on an approximate analytic solution to the time dependent Ermakov equation for a step function. This approach allows for a continuous treatment that differs from former studies that involve the matching of two time independent solutions at the time when the step occurs
Chao, W. C.
1982-01-01
With appropriate modifications, a recently proposed explicit-multiple-time-step scheme (EMTSS) is incorporated into the UCLA model. In this scheme, the linearized terms in the governing equations that generate the gravity waves are split into different vertical modes. Each mode is integrated with an optimal time step, and at periodic intervals these modes are recombined. The other terms are integrated with a time step dictated by the CFL condition for low-frequency waves. This large time step requires a special modification of the advective terms in the polar region to maintain stability. Test runs for 72 h show that EMTSS is a stable, efficient and accurate scheme.
Huang, Lihan
2018-05-01
The objective of this study was to investigate the growth kinetics of Clostridium botulinum LNT01, a non-toxigenic mutant of C. botulinum 62A, in cooked ground beef. The spores of C. botulinum LNT01 were inoculated to ground beef and incubated anaerobically under different temperature conditions to observe growth and develop growth curves. A one-step kinetic analysis method was used to analyze the growth curves simultaneously to minimize the global residual error. The data analysis was performed using the USDA IPMP-Global Fit, with the Huang model as the primary model and the cardinal parameters model as the secondary model. The results of data analysis showed that the minimum, optimum, and maximum growth temperatures of this mutant are 11.5, 36.4, and 44.3 °C, and the estimated optimum specific growth rate is 0.633 ln CFU/g per h, or 0.275 log CFU/g per h. The maximum cell density is 7.84 log CFU/g. The models and kinetic parameters were validated using additional isothermal and dynamic growth curves. The resulting residual errors of validation followed a Laplace distribution, with about 60% of the residual errors within ±0.5 log CFU/g of experimental observations, suggesting that the models could predict the growth of C. botulinum LNT01 in ground beef with reasonable accuracy. Comparing with C. perfringens, C. botulinum LNT01 grows at much slower rates and with much longer lag times. Its growth kinetics is also very similar to C. sporogenes in ground beef. The results of computer simulation using kinetic models showed that, while prolific growth of C. perfringens may occur in ground beef during cooling, no growth of C. botulinum LNT01 or C. sporogenes would occur under the same cooling conditions. The models developed in this study may be used for prediction of the growth and risk assessments of proteolytic C. botulinum in cooked meats. Published by Elsevier Ltd.
Sterling, Harry J; Williams, Evan R
2010-11-01
Amide hydrogen/deuterium exchange (HDX) rate constants of bovine ubiquitin in an ammonium acetate solution containing 1% of the electrospray ionization (ESI) "supercharging" reagent m-nitrobenzyl alcohol (m-NBA) were obtained using top-down, electron transfer dissociation (ETD) tandem mass spectrometry (MS). The supercharging reagent replaces the acid and temperature "quench" step in the conventional MS approach to HDX experiments by causing rapid protein denaturation to occur in the ESI droplet. The higher charge state ions that are produced with m-NBA are more unfolded, as measured by ion mobility, and result in higher fragmentation efficiency and higher sequence coverage with ETD. Single amino acid resolution was obtained for 44 of 72 exchangeable amide sites, and summed kinetic data were obtained for regions of the protein where adjacent fragment ions were not observed, resulting in an overall spatial resolution of 1.3 residues. Comparison of these results with previous values from NMR indicates that the supercharging reagent does not cause significant structural changes to the protein in the initial ESI solution and that scrambling or back-exchange is minimal. This new method for top-down HDX-MS enables real-time kinetic data measurements under physiological conditions, similar to those obtained using NMR, with comparable spatial resolution and significantly better sensitivity.
Time-step selection considerations in the analysis of reactor transients with DIF3D-K
International Nuclear Information System (INIS)
Taiwo, T.A.; Khalil, H.S.; Cahalan, J.E.; Morris, E.E.
1993-01-01
The DIF3D-K code solves the three-dimensional, time-dependent multigroup neutron diffusion equations by using a nodal approach for spatial discretization and either the theta method or one of three space-time factorization approaches for temporal integration of the nodal equations. The three space-time factorization options (namely, improved quasistatic, adiabatic, and conventional point kinetics) were implemented because of their potential efficiency advantage for the analysis of transients in which the flux shape changes more slowly than its amplitude. In this paper, we describe the implementation of DIF3D-K as the neutronics module within the SAS-HWR accident analysis code. We also describe the neuronic-related time-step selection algorithms and their influence on the accuracy and efficiency of the various solution options
Time-step selection considerations in the analysis of reactor transients with DIF3D-K
International Nuclear Information System (INIS)
Taiwo, T.A.; Khalil, H.S.; Cahalan, J.E.; Morris, E.E.
1993-01-01
The DIF3D-K code solves the three-dimensional, time-dependent multigroup neutron diffusion equations by using a nodal approach for spatial discretization and either the theta method or one of three space-time factorization approaches for temporal integration of the nodal equations. The three space-time factorization options (namely, improved quasistatic, adiabatic and conventional point kinetics) were implemented because of their potential efficiency advantage for the analysis of transients in which the flux shape changes more slowly than its amplitude. Here we describe the implementation of DIF3D-K as the neutronics module within the SAS-HWR accident analysis code. We also describe the neutronics-related time step selection algorithms and their influence on the accuracy and efficiency of the various solution options
On an efficient multiple time step Monte Carlo simulation of the SABR model
Leitao Rodriguez, A.; Grzelak, L.A.; Oosterlee, C.W.
2017-01-01
In this paper, we will present a multiple time step Monte Carlo simulation technique for pricing options under the Stochastic Alpha Beta Rho model. The proposed method is an extension of the one time step Monte Carlo method that we proposed in an accompanying paper Leitao et al. [Appl. Math.
An adaptive time-stepping strategy for solving the phase field crystal model
International Nuclear Information System (INIS)
Zhang, Zhengru; Ma, Yuan; Qiao, Zhonghua
2013-01-01
In this work, we will propose an adaptive time step method for simulating the dynamics of the phase field crystal (PFC) model. The numerical simulation of the PFC model needs long time to reach steady state, and then large time-stepping method is necessary. Unconditionally energy stable schemes are used to solve the PFC model. The time steps are adaptively determined based on the time derivative of the corresponding energy. It is found that the use of the proposed time step adaptivity cannot only resolve the steady state solution, but also the dynamical development of the solution efficiently and accurately. The numerical experiments demonstrate that the CPU time is significantly saved for long time simulations
Adaptive Time Stepping for Transient Network Flow Simulation in Rocket Propulsion Systems
Majumdar, Alok K.; Ravindran, S. S.
2017-01-01
Fluid and thermal transients found in rocket propulsion systems such as propellant feedline system is a complex process involving fast phases followed by slow phases. Therefore their time accurate computation requires use of short time step initially followed by the use of much larger time step. Yet there are instances that involve fast-slow-fast phases. In this paper, we present a feedback control based adaptive time stepping algorithm, and discuss its use in network flow simulation of fluid and thermal transients. The time step is automatically controlled during the simulation by monitoring changes in certain key variables and by feedback. In order to demonstrate the viability of time adaptivity for engineering problems, we applied it to simulate water hammer and cryogenic chill down in pipelines. Our comparison and validation demonstrate the accuracy and efficiency of this adaptive strategy.
GOTHIC: Gravitational oct-tree code accelerated by hierarchical time step controlling
Miki, Yohei; Umemura, Masayuki
2017-04-01
The tree method is a widely implemented algorithm for collisionless N-body simulations in astrophysics well suited for GPU(s). Adopting hierarchical time stepping can accelerate N-body simulations; however, it is infrequently implemented and its potential remains untested in GPU implementations. We have developed a Gravitational Oct-Tree code accelerated by HIerarchical time step Controlling named GOTHIC, which adopts both the tree method and the hierarchical time step. The code adopts some adaptive optimizations by monitoring the execution time of each function on-the-fly and minimizes the time-to-solution by balancing the measured time of multiple functions. Results of performance measurements with realistic particle distribution performed on NVIDIA Tesla M2090, K20X, and GeForce GTX TITAN X, which are representative GPUs of the Fermi, Kepler, and Maxwell generation of GPUs, show that the hierarchical time step achieves a speedup by a factor of around 3-5 times compared to the shared time step. The measured elapsed time per step of GOTHIC is 0.30 s or 0.44 s on GTX TITAN X when the particle distribution represents the Andromeda galaxy or the NFW sphere, respectively, with 224 = 16,777,216 particles. The averaged performance of the code corresponds to 10-30% of the theoretical single precision peak performance of the GPU.
Some Comments on the Behavior of the RELAP5 Numerical Scheme at Very Small Time Steps
International Nuclear Information System (INIS)
Tiselj, Iztok; Cerne, Gregor
2000-01-01
The behavior of the RELAP5 code at very short time steps is described, i.e., δt [approximately equal to] 0.01 δx/c. First, the property of the RELAP5 code to trace acoustic waves with 'almost' second-order accuracy is demonstrated. Quasi-second-order accuracy is usually achieved for acoustic waves at very short time steps but can never be achieved for the propagation of nonacoustic temperature and void fraction waves. While this feature may be beneficial for the simulations of fast transients describing pressure waves, it also has an adverse effect: The lack of numerical diffusion at very short time steps can cause typical second-order numerical oscillations near steep pressure jumps. This behavior explains why an automatic halving of the time step, which is used in RELAP5 when numerical difficulties are encountered, in some cases leads to the failure of the simulation.Second, the integration of the stiff interphase exchange terms in RELAP5 is studied. For transients with flashing and/or rapid condensation as the main phenomena, results strongly depend on the time step used. Poor accuracy is achieved with 'normal' time steps (δt [approximately equal to] δx/v) because of the very short characteristic timescale of the interphase mass and heat transfer sources. In such cases significantly different results are predicted with very short time steps because of the more accurate integration of the stiff interphase exchange terms
Molecular dynamics based enhanced sampling of collective variables with very large time steps
Chen, Pei-Yang; Tuckerman, Mark E.
2018-01-01
Enhanced sampling techniques that target a set of collective variables and that use molecular dynamics as the driving engine have seen widespread application in the computational molecular sciences as a means to explore the free-energy landscapes of complex systems. The use of molecular dynamics as the fundamental driver of the sampling requires the introduction of a time step whose magnitude is limited by the fastest motions in a system. While standard multiple time-stepping methods allow larger time steps to be employed for the slower and computationally more expensive forces, the maximum achievable increase in time step is limited by resonance phenomena, which inextricably couple fast and slow motions. Recently, we introduced deterministic and stochastic resonance-free multiple time step algorithms for molecular dynamics that solve this resonance problem and allow ten- to twenty-fold gains in the large time step compared to standard multiple time step algorithms [P. Minary et al., Phys. Rev. Lett. 93, 150201 (2004); B. Leimkuhler et al., Mol. Phys. 111, 3579-3594 (2013)]. These methods are based on the imposition of isokinetic constraints that couple the physical system to Nosé-Hoover chains or Nosé-Hoover Langevin schemes. In this paper, we show how to adapt these methods for collective variable-based enhanced sampling techniques, specifically adiabatic free-energy dynamics/temperature-accelerated molecular dynamics, unified free-energy dynamics, and by extension, metadynamics, thus allowing simulations employing these methods to employ similarly very large time steps. The combination of resonance-free multiple time step integrators with free-energy-based enhanced sampling significantly improves the efficiency of conformational exploration.
Nutt, John G.; Horak, Fay B.
2011-01-01
Background. This study asked whether older adults were more likely than younger adults to err in the initial direction of their anticipatory postural adjustment (APA) prior to a step (indicating a motor program error), whether initial motor program errors accounted for reaction time differences for step initiation, and whether initial motor program errors were linked to inhibitory failure. Methods. In a stepping task with choice reaction time and simple reaction time conditions, we measured forces under the feet to quantify APA onset and step latency and we used body kinematics to quantify forward movement of center of mass and length of first step. Results. Trials with APA errors were almost three times as common for older adults as for younger adults, and they were nine times more likely in choice reaction time trials than in simple reaction time trials. In trials with APA errors, step latency was delayed, correlation between APA onset and step latency was diminished, and forward motion of the center of mass prior to the step was increased. Participants with more APA errors tended to have worse Stroop interference scores, regardless of age. Conclusions. The results support the hypothesis that findings of slow choice reaction time step initiation in older adults are attributable to inclusion of trials with incorrect initial motor preparation and that these errors are caused by deficits in response inhibition. By extension, the results also suggest that mixing of trials with correct and incorrect initial motor preparation might explain apparent choice reaction time slowing with age in upper limb tasks. PMID:21498431
One-step electrodeposition process of CuInSe2: Deposition time effect
Indian Academy of Sciences (India)
Administrator
CuInSe2 thin films were prepared by one-step electrodeposition process using a simplified two- electrodes system. ... homojunctions or heterojunctions (Rincon et al 1983). Efficiency of ... deposition times onto indium thin oxide (ITO)-covered.
Stability analysis and time-step limits for a Monte Carlo Compton-scattering method
International Nuclear Information System (INIS)
Densmore, Jeffery D.; Warsa, James S.; Lowrie, Robert B.
2010-01-01
A Monte Carlo method for simulating Compton scattering in high energy density applications has been presented that models the photon-electron collision kinematics exactly [E. Canfield, W.M. Howard, E.P. Liang, Inverse Comptonization by one-dimensional relativistic electrons, Astrophys. J. 323 (1987) 565]. However, implementing this technique typically requires an explicit evaluation of the material temperature, which can lead to unstable and oscillatory solutions. In this paper, we perform a stability analysis of this Monte Carlo method and develop two time-step limits that avoid undesirable behavior. The first time-step limit prevents instabilities, while the second, more restrictive time-step limit avoids both instabilities and nonphysical oscillations. With a set of numerical examples, we demonstrate the efficacy of these time-step limits.
Guermond, J.-L.; Salgado, Abner J.
2011-01-01
In this paper we analyze the convergence properties of a new fractional time-stepping technique for the solution of the variable density incompressible Navier-Stokes equations. The main feature of this method is that, contrary to other existing algorithms, the pressure is determined by just solving one Poisson equation per time step. First-order error estimates are proved, and stability of a formally second-order variant of the method is established. © 2011 Society for Industrial and Applied Mathematics.
DEFF Research Database (Denmark)
Johansen, Joakim M.; Gadsbøll, Rasmus; Thomsen, Jesper
2016-01-01
This work combines experimental and computational fluid dynamics (CFD) results to derive global kinetics for biomass (pine wood) devolatilization during heating rates on the order of 105Ks-1, bulk flow peak temperatures between 1405 and 1667K, and particle residence times below 0.1s. Experiments......Jmol-1. The accuracy of the derived global kinetics was supported by comparing predictions to experimental results from a 15kW furnace. The work emphasizes the importance of characterizing the temperature history of the biomass particles when deriving pyrolysis kinetics. The present results indicate...
Apostolopoulos, Alexandros; Lallos, Stergios; Mastrokalos, Dimitrios; Michos, Ioannis; Darras, Nikolaos; Tzomaki, Magda; Efstathopoulos, Nikolaos
2011-01-01
The objective of this study was to capture and analyze the kinetics and kinematics and determine the functional performance of the osteoarthritic knee after a posterior cruciate ligament (PCL) retaining total knee arthroplasty. Kinematic and kinetic gait analysis of level walking was performed in 20 subjects (12 female and 8 male) with knee ostoarthritis. These patients were free of any neurological diseases that could affect their normal gait. Mean age was 69.6 ± 6.6 years; mean height was 157.6 cm ± 7.6 cm; and mean weight was 77.2 ± 12.1 kg. Full body gait analyses were performed using the BIOKIN 3D motion analysis system before and 9 months after total knee arthroplasty procedures. Single-step ascending kinetic analyses and plantar pressure distribution analyses were also performed for all subjects. International Knee Society Scores (IKSSs) were also assessed pre- and postoperatively. Significant increases were noted postoperatively in average cadence (preoperative mean = 99.26, postoperative mean = 110.5; p knee adduction moment were also reported postoperatively. All patients showed a significant improvement of knee kinetics and kinematics after a PCL retaining total knee arthroplasty. Significant differences were found in the cadence, step length, stride length, and walk velocity postoperatively. IKSSs also significantly improved. Further research is warranted to determine the clinical relevance of these findings.
Directory of Open Access Journals (Sweden)
S.B. Jonnalagadda
2012-08-01
Full Text Available ‘Simkine3’, a Delphi based software is developed to simulate the kinetic schemes of complex reaction mechanisms involving multiple sequential and competitive elementary steps for homogeneous and heterogeneous chemical reactions. Simkine3 is designed to translate the user specified mechanism into chemical first-order differential equations (ODEs and optimise the estimated rate constants in such a way that simulated curves match the experimental kinetic profiles. TLSoda which uses backward differentiation method is utilised to solve resulting ODEs and Downhill Simplex method is used to optimise the estimated rate constants in a robotic way. An online help file is developed using HelpScrible Demo to guide the users of Simkine3. The versatility of the software is demonstrated by simulating the complex reaction between methylene violet and acidic bromate, a reaction which exhibits complex nonlinear kinetics. The new software is validated after testing it on a 19-step intricate mechanism involving 15 different species. The kinetic profiles of multiple simulated curves, illustrating the effect of initial concentrations of bromate, and bromide were matched with the corresponding experimental curves.DOI: http://dx.doi.org/10.4314/bcse.v26i2.10
Perturbative method for the derivation of quantum kinetic theory based on closed-time-path formalism
International Nuclear Information System (INIS)
Koide, Jun
2002-01-01
Within the closed-time-path formalism, a perturbative method is presented, which reduces the microscopic field theory to the quantum kinetic theory. In order to make this reduction, the expectation value of a physical quantity must be calculated under the condition that the Wigner distribution function is fixed, because it is the independent dynamical variable in the quantum kinetic theory. It is shown that when a nonequilibrium Green function in the form of the generalized Kadanoff-Baym ansatz is utilized, this condition appears as a cancellation of a certain part of contributions in the diagrammatic expression of the expectation value. Together with the quantum kinetic equation, which can be derived in the closed-time-path formalism, this method provides a basis for the kinetic-theoretical description
Lutz, Barry; Liang, Tinny; Fu, Elain; Ramachandran, Sujatha; Kauffman, Peter; Yager, Paul
2013-07-21
Lateral flow tests (LFTs) are an ingenious format for rapid and easy-to-use diagnostics, but they are fundamentally limited to assay chemistries that can be reduced to a single chemical step. In contrast, most laboratory diagnostic assays rely on multiple timed steps carried out by a human or a machine. Here, we use dissolvable sugar applied to paper to create programmable flow delays and present a paper network topology that uses these time delays to program automated multi-step fluidic protocols. Solutions of sucrose at different concentrations (10-70% of saturation) were added to paper strips and dried to create fluidic time delays spanning minutes to nearly an hour. A simple folding card format employing sugar delays was shown to automate a four-step fluidic process initiated by a single user activation step (folding the card); this device was used to perform a signal-amplified sandwich immunoassay for a diagnostic biomarker for malaria. The cards are capable of automating multi-step assay protocols normally used in laboratories, but in a rapid, low-cost, and easy-to-use format.
Real-time imaging of vertically aligned carbon nanotube array growth kinetics
International Nuclear Information System (INIS)
Puretzky, A A; Eres, G; Rouleau, C M; Ivanov, I N; Geohegan, D B
2008-01-01
In situ time-lapse photography and laser irradiation are applied to understand unusual coordinated growth kinetics of vertically aligned carbon nanotube arrays including pauses in growth, retraction, and local equilibration in length. A model is presented which explains the measured kinetics and determines the conditions for diffusion-limited growth. Laser irradiation of the growing nanotube arrays is first used to prove that the nanotubes grow from catalyst particles at their bases, and then increase their growth rate and terminal lengths
Sivak, David A; Chodera, John D; Crooks, Gavin E
2014-06-19
When simulating molecular systems using deterministic equations of motion (e.g., Newtonian dynamics), such equations are generally numerically integrated according to a well-developed set of algorithms that share commonly agreed-upon desirable properties. However, for stochastic equations of motion (e.g., Langevin dynamics), there is still broad disagreement over which integration algorithms are most appropriate. While multiple desiderata have been proposed throughout the literature, consensus on which criteria are important is absent, and no published integration scheme satisfies all desiderata simultaneously. Additional nontrivial complications stem from simulating systems driven out of equilibrium using existing stochastic integration schemes in conjunction with recently developed nonequilibrium fluctuation theorems. Here, we examine a family of discrete time integration schemes for Langevin dynamics, assessing how each member satisfies a variety of desiderata that have been enumerated in prior efforts to construct suitable Langevin integrators. We show that the incorporation of a novel time step rescaling in the deterministic updates of position and velocity can correct a number of dynamical defects in these integrators. Finally, we identify a particular splitting (related to the velocity Verlet discretization) that has essentially universally appropriate properties for the simulation of Langevin dynamics for molecular systems in equilibrium, nonequilibrium, and path sampling contexts.
Time dependent theory of two-step absorption of two pulses
Energy Technology Data Exchange (ETDEWEB)
Rebane, Inna, E-mail: inna.rebane@ut.ee
2015-09-25
The time dependent theory of two step-absorption of two different light pulses with arbitrary duration in the electronic three-level model is proposed. The probability that the third level is excited at the moment t is found in depending on the time delay between pulses, the spectral widths of the pulses and the energy relaxation constants of the excited electronic levels. The time dependent perturbation theory is applied without using “doorway–window” approach. The time and spectral behavior of the spectrum using in calculations as simple as possible model is analyzed. - Highlights: • Time dependent theory of two-step absorption in the three-level model is proposed. • Two different light pulses with arbitrary duration is observed. • The time dependent perturbation theory is applied without “door–window” approach. • The time and spectral behavior of the spectra is analyzed for several cases.
The hyperbolic step potential: Anti-bound states, SUSY partners and Wigner time delays
Energy Technology Data Exchange (ETDEWEB)
Gadella, M. [Departamento de Física Teórica, Atómica y Óptica and IMUVA, Universidad de Valladolid, E-47011 Valladolid (Spain); Kuru, Ş. [Department of Physics, Faculty of Science, Ankara University, 06100 Ankara (Turkey); Negro, J., E-mail: jnegro@fta.uva.es [Departamento de Física Teórica, Atómica y Óptica and IMUVA, Universidad de Valladolid, E-47011 Valladolid (Spain)
2017-04-15
We study the scattering produced by a one dimensional hyperbolic step potential, which is exactly solvable and shows an unusual interest because of its asymmetric character. The analytic continuation of the scattering matrix in the momentum representation has a branch cut and an infinite number of simple poles on the negative imaginary axis which are related with the so called anti-bound states. This model does not show resonances. Using the wave functions of the anti-bound states, we obtain supersymmetric (SUSY) partners which are the series of Rosen–Morse II potentials. We have computed the Wigner reflection and transmission time delays for the hyperbolic step and such SUSY partners. Our results show that the more bound states a partner Hamiltonian has the smaller is the time delay. We also have evaluated time delays for the hyperbolic step potential in the classical case and have obtained striking similitudes with the quantum case. - Highlights: • The scattering matrix of hyperbolic step potential is studied. • The scattering matrix has a branch cut and an infinite number of poles. • The poles are associated to anti-bound states. • Susy partners using antibound states are computed. • Wigner time delays for the hyperbolic step and partner potentials are compared.
Time-temperature-transformation kinetics in SRL waste glass
International Nuclear Information System (INIS)
Jantzen, C.M.; Bickford, D.F.; Karraker, D.G.
1983-01-01
Time-temperature-transformation (TTT) curves have been determined for SRL 165 waste glass. Extent and sequence of crystallization were determined by XRD and SEM. The incipient crystallization product, spinel, can be determined at one volume percent by magnetic susceptibility. The type and percentage of crystallization is correlated with waste glass durability. 20 references, 5 figures, 1 table
Schoolderman, A.J.; Suttorp, L.G.
1989-01-01
The long-time behaviour of the longitudinal and the transverse heat conductivity time correlation functions for a magnetized one-component plasma is studied by means of kinetic theory. To that end these correlation functions, which are defined as the inverse Laplace transforms of the dynamic heat
Modified Pressure-Correction Projection Methods: Open Boundary and Variable Time Stepping
Bonito, Andrea
2014-10-31
© Springer International Publishing Switzerland 2015. In this paper, we design and study two modifications of the first order standard pressure increment projection scheme for the Stokes system. The first scheme improves the existing schemes in the case of open boundary condition by modifying the pressure increment boundary condition, thereby minimizing the pressure boundary layer and recovering the optimal first order decay. The second scheme allows for variable time stepping. It turns out that the straightforward modification to variable time stepping leads to unstable schemes. The proposed scheme is not only stable but also exhibits the optimal first order decay. Numerical computations illustrating the theoretical estimates are provided for both new schemes.
Modified Pressure-Correction Projection Methods: Open Boundary and Variable Time Stepping
Bonito, Andrea; Guermond, Jean-Luc; Lee, Sanghyun
2014-01-01
© Springer International Publishing Switzerland 2015. In this paper, we design and study two modifications of the first order standard pressure increment projection scheme for the Stokes system. The first scheme improves the existing schemes in the case of open boundary condition by modifying the pressure increment boundary condition, thereby minimizing the pressure boundary layer and recovering the optimal first order decay. The second scheme allows for variable time stepping. It turns out that the straightforward modification to variable time stepping leads to unstable schemes. The proposed scheme is not only stable but also exhibits the optimal first order decay. Numerical computations illustrating the theoretical estimates are provided for both new schemes.
Taylor, Mark R; Conrad, John A; Wahl, Daniel; O'Brien, Patrick J
2011-07-01
DNA ligase I (LIG1) catalyzes the ligation of single-strand breaks to complete DNA replication and repair. The energy of ATP is used to form a new phosphodiester bond in DNA via a reaction mechanism that involves three distinct chemical steps: enzyme adenylylation, adenylyl transfer to DNA, and nick sealing. We used steady state and pre-steady state kinetics to characterize the minimal mechanism for DNA ligation catalyzed by human LIG1. The ATP dependence of the reaction indicates that LIG1 requires multiple Mg(2+) ions for catalysis and that an essential Mg(2+) ion binds more tightly to ATP than to the enzyme. Further dissection of the magnesium ion dependence of individual reaction steps revealed that the affinity for Mg(2+) changes along the reaction coordinate. At saturating concentrations of ATP and Mg(2+) ions, the three chemical steps occur at similar rates, and the efficiency of ligation is high. However, under conditions of limiting Mg(2+), the nick-sealing step becomes rate-limiting, and the adenylylated DNA intermediate is prematurely released into solution. Subsequent adenylylation of enzyme prevents rebinding to the adenylylated DNA intermediate comprising an Achilles' heel of LIG1. These ligase-generated 5'-adenylylated nicks constitute persistent breaks that are a threat to genomic stability if they are not repaired. The kinetic and thermodynamic framework that we have determined for LIG1 provides a starting point for understanding the mechanism and specificity of mammalian DNA ligases.
Optimal order and time-step criterion for Aarseth-type N-body integrators
International Nuclear Information System (INIS)
Makino, Junichiro
1991-01-01
How the selection of the time-step criterion and the order of the integrator change the efficiency of Aarseth-type N-body integrators is discussed. An alternative to Aarseth's scheme based on the direct calculation of the time derivative of the force using the Hermite interpolation is compared to Aarseth's scheme, which uses the Newton interpolation to construct the predictor and corrector. How the number of particles in the system changes the behavior of integrators is examined. The Hermite scheme allows a time step twice as large as that for the standard Aarseth scheme for the same accuracy. The calculation cost of the Hermite scheme per time step is roughly twice as much as that of the standard Aarseth scheme. The optimal order of the integrators depends on both the particle number and the accuracy required. The time-step criterion of the standard Aarseth scheme is found to be inapplicable to higher-order integrators, and a more uniformly reliable criterion is proposed. 18 refs
International Nuclear Information System (INIS)
Zeng, G.L.; Gullberg, G.T.
1995-01-01
It is common practice to estimate kinetic parameters from dynamically acquired tomographic data by first reconstructing a dynamic sequence of three-dimensional reconstructions and then fitting the parameters to time activity curves generated from the time-varying reconstructed images. However, in SPECT, the pharmaceutical distribution can change during the acquisition of a complete tomographic data set, which can bias the estimated kinetic parameters. It is hypothesized that more accurate estimates of the kinetic parameters can be obtained by fitting to the projection measurements instead of the reconstructed time sequence. Estimation from projections requires the knowledge of their relationship between the tissue regions of interest or voxels with particular kinetic parameters and the project measurements, which results in a complicated nonlinear estimation problem with a series of exponential factors with multiplicative coefficients. A technique is presented in this paper where the exponential decay parameters are estimated separately using linear time-invariant system theory. Once the exponential factors are known, the coefficients of the exponentials can be estimated using linear estimation techniques. Computer simulations demonstrate that estimation of the kinetic parameters directly from the projections is more accurate than the estimation from the reconstructed images
The large discretization step method for time-dependent partial differential equations
Haras, Zigo; Taasan, Shlomo
1995-01-01
A new method for the acceleration of linear and nonlinear time dependent calculations is presented. It is based on the Large Discretization Step (LDS) approximation, defined in this work, which employs an extended system of low accuracy schemes to approximate a high accuracy discrete approximation to a time dependent differential operator. Error bounds on such approximations are derived. These approximations are efficiently implemented in the LDS methods for linear and nonlinear hyperbolic equations, presented here. In these algorithms the high and low accuracy schemes are interpreted as the same discretization of a time dependent operator on fine and coarse grids, respectively. Thus, a system of correction terms and corresponding equations are derived and solved on the coarse grid to yield the fine grid accuracy. These terms are initialized by visiting the fine grid once in many coarse grid time steps. The resulting methods are very general, simple to implement and may be used to accelerate many existing time marching schemes.
Super-nodal methods for space-time kinetics
Mertyurek, Ugur
The purpose of this research has been to develop an advanced Super-Nodal method to reduce the run time of 3-D core neutronics models, such as in the NESTLE reactor core simulator and FORMOSA nuclear fuel management optimization codes. Computational performance of the neutronics model is increased by reducing the number of spatial nodes used in the core modeling. However, as the number of spatial nodes decreases, the error in the solution increases. The Super-Nodal method reduces the error associated with the use of coarse nodes in the analyses by providing a new set of cross sections and ADFs (Assembly Discontinuity Factors) for the new nodalization. These so called homogenization parameters are obtained by employing consistent collapsing technique. During this research a new type of singularity, namely "fundamental mode singularity", is addressed in the ANM (Analytical Nodal Method) solution. The "Coordinate Shifting" approach is developed as a method to address this singularity. Also, the "Buckling Shifting" approach is developed as an alternative and more accurate method to address the zero buckling singularity, which is a more common and well known singularity problem in the ANM solution. In the course of addressing the treatment of these singularities, an effort was made to provide better and more robust results from the Super-Nodal method by developing several new methods for determining the transverse leakage and collapsed diffusion coefficient, which generally are the two main approximations in the ANM methodology. Unfortunately, the proposed new transverse leakage and diffusion coefficient approximations failed to provide a consistent improvement to the current methodology. However, improvement in the Super-Nodal solution is achieved by updating the homogenization parameters at several time points during a transient. The update is achieved by employing a refinement technique similar to pin-power reconstruction. A simple error analysis based on the relative
Rapid expansion method (REM) for time‐stepping in reverse time migration (RTM)
Pestana, Reynam C.; Stoffa, Paul L.
2009-01-01
an analytical approximation for the Bessel function where we assume that the time step is sufficiently small. From this derivation we find that if we consider only the first two Chebyshev polynomials terms in the rapid expansion method we can obtain the second
Displacement in the parameter space versus spurious solution of discretization with large time step
International Nuclear Information System (INIS)
Mendes, Eduardo; Letellier, Christophe
2004-01-01
In order to investigate a possible correspondence between differential and difference equations, it is important to possess discretization of ordinary differential equations. It is well known that when differential equations are discretized, the solution thus obtained depends on the time step used. In the majority of cases, such a solution is considered spurious when it does not resemble the expected solution of the differential equation. This often happens when the time step taken into consideration is too large. In this work, we show that, even for quite large time steps, some solutions which do not correspond to the expected ones are still topologically equivalent to solutions of the original continuous system if a displacement in the parameter space is considered. To reduce such a displacement, a judicious choice of the discretization scheme should be made. To this end, a recent discretization scheme, based on the Lie expansion of the original differential equations, proposed by Monaco and Normand-Cyrot will be analysed. Such a scheme will be shown to be sufficient for providing an adequate discretization for quite large time steps compared to the pseudo-period of the underlying dynamics
Gnedin, Nickolay Y.; Semenov, Vadim A.; Kravtsov, Andrey V.
2018-04-01
An optimally efficient explicit numerical scheme for solving fluid dynamics equations, or any other parabolic or hyperbolic system of partial differential equations, should allow local regions to advance in time with their own, locally constrained time steps. However, such a scheme can result in violation of the Courant-Friedrichs-Lewy (CFL) condition, which is manifestly non-local. Although the violations can be considered to be "weak" in a certain sense and the corresponding numerical solution may be stable, such calculation does not guarantee the correct propagation speed for arbitrary waves. We use an experimental fluid dynamics code that allows cubic "patches" of grid cells to step with independent, locally constrained time steps to demonstrate how the CFL condition can be enforced by imposing a constraint on the time steps of neighboring patches. We perform several numerical tests that illustrate errors introduced in the numerical solutions by weak CFL condition violations and show how strict enforcement of the CFL condition eliminates these errors. In all our tests the strict enforcement of the CFL condition does not impose a significant performance penalty.
Energy Technology Data Exchange (ETDEWEB)
Jindra, Sarah A. [Wright State Univ., Dayton, OH (United States); Bertagni, Angela L. [Wright State Univ., Dayton, OH (United States); Bracco, Jacquelyn N. [Wright State Univ., Dayton, OH (United States); Argonne National Lab. (ANL), Argonne, IL (United States); Higgins, Steven R. [Wright State Univ., Dayton, OH (United States)
2017-09-25
Here, to better understand the role of spectator ions in barite growth, the kinetics of step edge growth on barite (001) surfaces were studied under various salt solutions. Hydrothermal atomic force microscopy (HAFM) was used to investigate the effect of background electrolytes (NaCl, NaBr, and NaNO_{3}) as a function of saturation index and ionic strength (I) on barite growth sourced at dislocations at 108 °C. Results demonstrate that hillock morphology is affected by I, as well as type of anion, where the prevalence of steps aligned on the [010] direction is highest under Cl^{–}. There is a modest increase in kinetic coefficient of 55–130% with a 10-fold increase in I for each salt. In comparing the kinetic coefficients of the salts at low ionic strength (0.01 M), there is a moderate difference, suggesting that the anion may play a role in barium attachment.
Tarantino, Mary E; Bilotti, Katharina; Huang, Ji; Delaney, Sarah
2015-08-21
Flap endonuclease 1 (FEN1) is a structure-specific nuclease responsible for removing 5'-flaps formed during Okazaki fragment maturation and long patch base excision repair. In this work, we use rapid quench flow techniques to examine the rates of 5'-flap removal on DNA substrates of varying length and sequence. Of particular interest are flaps containing trinucleotide repeats (TNR), which have been proposed to affect FEN1 activity and cause genetic instability. We report that FEN1 processes substrates containing flaps of 30 nucleotides or fewer at comparable single-turnover rates. However, for flaps longer than 30 nucleotides, FEN1 kinetically discriminates substrates based on flap length and flap sequence. In particular, FEN1 removes flaps containing TNR sequences at a rate slower than mixed sequence flaps of the same length. Furthermore, multiple-turnover kinetic analysis reveals that the rate-determining step of FEN1 switches as a function of flap length from product release to chemistry (or a step prior to chemistry). These results provide a kinetic perspective on the role of FEN1 in DNA replication and repair and contribute to our understanding of FEN1 in mediating genetic instability of TNR sequences. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.
International Nuclear Information System (INIS)
Lee, T.V.; Rothstein, D.; Madey, R.
1986-01-01
The time-dependent concentration of a radioactive gas at the outlet of an adsorber bed for a step change in the input concentration is analyzed by the method of moments. This moment analysis yields analytical expressions for calculating the kinetic parameters of a gas adsorbed on a porous solid in terms of observables from a time-dependent transmission curve. Transmission is the ratio of the adsorbate outlet concentration to that at the inlet. The three nonequilibrium parameters are the longitudinal diffusion coefficient, the solid-phase diffusion coefficient, and the interfacial mass-transfer coefficient. Three quantities that can be extracted in principle from an experimental transmission curve are the equilibrium transmission, the average residence (or propagation) time, and the first-moment relative to the propagation time. The propagation time for a radioactive gas is given by the time integral of one minus the transmission (expressed as a fraction of the steady-state transmission). The steady-state transmission, the propagation time, and the first-order moment are functions of the three kinetic parameters and the equilibrium adsorption capacity. The equilibrium adsorption capacity is extracted from an experimental transmission curve for a stable gaseous isotope. The three kinetic parameters can be obtained by solving the three analytical expressions simultaneously. No empirical correlations are required
Directory of Open Access Journals (Sweden)
Romain Tisserand
2016-11-01
Full Text Available In the case of disequilibrium, the capacity to step quickly is critical to avoid falling for elderly. This capacity can be simply assessed through the choice stepping reaction time test (CSRT, where elderly fallers (F take longer to step than elderly non-fallers (NF. However, reasons why elderly F elongate their stepping time remain unclear. The purpose of this study is to assess the characteristics of anticipated postural adjustments (APA that elderly F develop in a stepping context and their consequences on the dynamic stability. 44 community-dwelling elderly subjects (20 F and 22 NF performed a CSRT where kinematics and ground reaction forces were collected. Variables were analyzed using two-way repeated measures ANOVAs. Results for F compared to NF showed that stepping time is elongated, due to a longer APA phase. During APA, they seem to use two distinct balance strategies, depending on the axis: in the anteroposterior direction, we measured a smaller backward movement and slower peak velocity of the center of pressure (CoP; in the mediolateral direction, the CoP movement was similar in amplitude and peak velocity between groups but lasted longer. The biomechanical consequence of both strategies was an increased margin of stability (MoS at foot-off, in the respective direction. By elongating their APA, elderly F use a safer balance strategy that prioritizes dynamic stability conditions instead of the objective of the task. Such a choice in balance strategy probably comes from muscular limitations and/or a higher fear of falling and paradoxically indicates an increased risk of fall.
Multi-Step Time Series Forecasting with an Ensemble of Varied Length Mixture Models.
Ouyang, Yicun; Yin, Hujun
2018-05-01
Many real-world problems require modeling and forecasting of time series, such as weather temperature, electricity demand, stock prices and foreign exchange (FX) rates. Often, the tasks involve predicting over a long-term period, e.g. several weeks or months. Most existing time series models are inheritably for one-step prediction, that is, predicting one time point ahead. Multi-step or long-term prediction is difficult and challenging due to the lack of information and uncertainty or error accumulation. The main existing approaches, iterative and independent, either use one-step model recursively or treat the multi-step task as an independent model. They generally perform poorly in practical applications. In this paper, as an extension of the self-organizing mixture autoregressive (AR) model, the varied length mixture (VLM) models are proposed to model and forecast time series over multi-steps. The key idea is to preserve the dependencies between the time points within the prediction horizon. Training data are segmented to various lengths corresponding to various forecasting horizons, and the VLM models are trained in a self-organizing fashion on these segments to capture these dependencies in its component AR models of various predicting horizons. The VLM models form a probabilistic mixture of these varied length models. A combination of short and long VLM models and an ensemble of them are proposed to further enhance the prediction performance. The effectiveness of the proposed methods and their marked improvements over the existing methods are demonstrated through a number of experiments on synthetic data, real-world FX rates and weather temperatures.
2012-06-01
The purpose of these step-by-step guidelines is to assist in planning, designing, and deploying a system that uses radio frequency identification (RFID) technology to measure the time needed for commercial vehicles to complete the northbound border c...
Empiric model for mean generation time adjustment factor for classic point kinetics equations
Energy Technology Data Exchange (ETDEWEB)
Goes, David A.B.V. de; Martinez, Aquilino S.; Goncalves, Alessandro da C., E-mail: david.goes@poli.ufrj.br, E-mail: aquilino@lmp.ufrj.br, E-mail: alessandro@con.ufrj.br [Coordenacao de Pos-Graduacao e Pesquisa de Engenharia (COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Departamento de Engenharia Nuclear
2017-11-01
Point reactor kinetics equations are the easiest way to observe the neutron production time behavior in a nuclear reactor. These equations are derived from the neutron transport equation using an approximation called Fick's law leading to a set of first order differential equations. The main objective of this study is to review classic point kinetics equation in order to approximate its results to the case when it is considered the time variation of the neutron currents. The computational modeling used for the calculations is based on the finite difference method. The results obtained with this model are compared with the reference model and then it is determined an empirical adjustment factor that modifies the point reactor kinetics equation to the real scenario. (author)
Empiric model for mean generation time adjustment factor for classic point kinetics equations
International Nuclear Information System (INIS)
Goes, David A.B.V. de; Martinez, Aquilino S.; Goncalves, Alessandro da C.
2017-01-01
Point reactor kinetics equations are the easiest way to observe the neutron production time behavior in a nuclear reactor. These equations are derived from the neutron transport equation using an approximation called Fick's law leading to a set of first order differential equations. The main objective of this study is to review classic point kinetics equation in order to approximate its results to the case when it is considered the time variation of the neutron currents. The computational modeling used for the calculations is based on the finite difference method. The results obtained with this model are compared with the reference model and then it is determined an empirical adjustment factor that modifies the point reactor kinetics equation to the real scenario. (author)
Multi-step-prediction of chaotic time series based on co-evolutionary recurrent neural network
International Nuclear Information System (INIS)
Ma Qianli; Zheng Qilun; Peng Hong; Qin Jiangwei; Zhong Tanwei
2008-01-01
This paper proposes a co-evolutionary recurrent neural network (CERNN) for the multi-step-prediction of chaotic time series, it estimates the proper parameters of phase space reconstruction and optimizes the structure of recurrent neural networks by co-evolutionary strategy. The searching space was separated into two subspaces and the individuals are trained in a parallel computational procedure. It can dynamically combine the embedding method with the capability of recurrent neural network to incorporate past experience due to internal recurrence. The effectiveness of CERNN is evaluated by using three benchmark chaotic time series data sets: the Lorenz series, Mackey-Glass series and real-world sun spot series. The simulation results show that CERNN improves the performances of multi-step-prediction of chaotic time series
A coupled weather generator - rainfall-runoff approach on hourly time steps for flood risk analysis
Winter, Benjamin; Schneeberger, Klaus; Dung Nguyen, Viet; Vorogushyn, Sergiy; Huttenlau, Matthias; Merz, Bruno; Stötter, Johann
2017-04-01
The evaluation of potential monetary damage of flooding is an essential part of flood risk management. One possibility to estimate the monetary risk is to analyze long time series of observed flood events and their corresponding damages. In reality, however, only few flood events are documented. This limitation can be overcome by the generation of a set of synthetic, physically and spatial plausible flood events and subsequently the estimation of the resulting monetary damages. In the present work, a set of synthetic flood events is generated by a continuous rainfall-runoff simulation in combination with a coupled weather generator and temporal disaggregation procedure for the study area of Vorarlberg (Austria). Most flood risk studies focus on daily time steps, however, the mesoscale alpine study area is characterized by short concentration times, leading to large differences between daily mean and daily maximum discharge. Accordingly, an hourly time step is needed for the simulations. The hourly metrological input for the rainfall-runoff model is generated in a two-step approach. A synthetic daily dataset is generated by a multivariate and multisite weather generator and subsequently disaggregated to hourly time steps with a k-Nearest-Neighbor model. Following the event generation procedure, the negative consequences of flooding are analyzed. The corresponding flood damage for each synthetic event is estimated by combining the synthetic discharge at representative points of the river network with a loss probability relation for each community in the study area. The loss probability relation is based on exposure and susceptibility analyses on a single object basis (residential buildings) for certain return periods. For these impact analyses official inundation maps of the study area are used. Finally, by analyzing the total event time series of damages, the expected annual damage or losses associated with a certain probability of occurrence can be estimated for
Multi-Time Step Service Restoration for Advanced Distribution Systems and Microgrids
International Nuclear Information System (INIS)
Chen, Bo; Chen, Chen; Wang, Jianhui; Butler-Purry, Karen L.
2017-01-01
Modern power systems are facing increased risk of disasters that can cause extended outages. The presence of remote control switches (RCSs), distributed generators (DGs), and energy storage systems (ESS) provides both challenges and opportunities for developing post-fault service restoration methodologies. Inter-temporal constraints of DGs, ESS, and loads under cold load pickup (CLPU) conditions impose extra complexity on problem formulation and solution. In this paper, a multi-time step service restoration methodology is proposed to optimally generate a sequence of control actions for controllable switches, ESSs, and dispatchable DGs to assist the system operator with decision making. The restoration sequence is determined to minimize the unserved customers by energizing the system step by step without violating operational constraints at each time step. The proposed methodology is formulated as a mixed-integer linear programming (MILP) model and can adapt to various operation conditions. Furthermore, the proposed method is validated through several case studies that are performed on modified IEEE 13-node and IEEE 123-node test feeders.
Development of a real time activity monitoring Android application utilizing SmartStep.
Hegde, Nagaraj; Melanson, Edward; Sazonov, Edward
2016-08-01
Footwear based activity monitoring systems are becoming popular in academic research as well as consumer industry segments. In our previous work, we had presented developmental aspects of an insole based activity and gait monitoring system-SmartStep, which is a socially acceptable, fully wireless and versatile insole. The present work describes the development of an Android application that captures the SmartStep data wirelessly over Bluetooth Low energy (BLE), computes features on the received data, runs activity classification algorithms and provides real time feedback. The development of activity classification methods was based on the the data from a human study involving 4 participants. Participants were asked to perform activities of sitting, standing, walking, and cycling while they wore SmartStep insole system. Multinomial Logistic Discrimination (MLD) was utilized in the development of machine learning model for activity prediction. The resulting classification model was implemented in an Android Smartphone. The Android application was benchmarked for power consumption and CPU loading. Leave one out cross validation resulted in average accuracy of 96.9% during model training phase. The Android application for real time activity classification was tested on a human subject wearing SmartStep resulting in testing accuracy of 95.4%.
A quenched-flow system for measuring heterogeneous enzyme kinetics with sub-second time resolution
DEFF Research Database (Denmark)
Olsen, Johan Pelck; Kari, Jeppe; Borch, Kim
2017-01-01
of insoluble substrate. Perhaps for this reason, transient kinetics has rarely been reported for heterogeneous enzyme reactions. Here, we describe a quenched-flow system using peristaltic pumps and stirred substrate suspensions with a dead time below 100 ms. The general performance was verified by alkali...
Two-Step Time of Arrival Estimation for Pulse-Based Ultra-Wideband Systems
Directory of Open Access Journals (Sweden)
H. Vincent Poor
2008-05-01
Full Text Available In cooperative localization systems, wireless nodes need to exchange accurate position-related information such as time-of-arrival (TOA and angle-of-arrival (AOA, in order to obtain accurate location information. One alternative for providing accurate position-related information is to use ultra-wideband (UWB signals. The high time resolution of UWB signals presents a potential for very accurate positioning based on TOA estimation. However, it is challenging to realize very accurate positioning systems in practical scenarios, due to both complexity/cost constraints and adverse channel conditions such as multipath propagation. In this paper, a two-step TOA estimation algorithm is proposed for UWB systems in order to provide accurate TOA estimation under practical constraints. In order to speed up the estimation process, the first step estimates a coarse TOA of the received signal based on received signal energy. Then, in the second step, the arrival time of the first signal path is estimated by considering a hypothesis testing approach. The proposed scheme uses low-rate correlation outputs and is able to perform accurate TOA estimation in reasonable time intervals. The simulation results are presented to analyze the performance of the estimator.
The instability in the long-time regime of a kinetic model: II
International Nuclear Information System (INIS)
Sanda, F
2003-01-01
The kinetic model of an open system, which embodies an instability in long time regime behaviour, is referred. This result questions some approximations which are standardly used in open system treatments. The deficiency in kinetic treatments was recently referred to as mainly a mathematical curiosity; however, in the present work the application for a physically comprehensive situation is shown. We simplified the previously treated model, which enables us to proceed easily with just pen and paper and to omit numerical modelling whose justification causes difficulties to the reader. We draw some consequences on the found instability, both with respect to the perturbative origin of kinetic equations and also concerning the very philosophy of physical modelling
Chen, Yunjie; Kale, Seyit; Weare, Jonathan; Dinner, Aaron R; Roux, Benoît
2016-04-12
A multiple time-step integrator based on a dual Hamiltonian and a hybrid method combining molecular dynamics (MD) and Monte Carlo (MC) is proposed to sample systems in the canonical ensemble. The Dual Hamiltonian Multiple Time-Step (DHMTS) algorithm is based on two similar Hamiltonians: a computationally expensive one that serves as a reference and a computationally inexpensive one to which the workload is shifted. The central assumption is that the difference between the two Hamiltonians is slowly varying. Earlier work has shown that such dual Hamiltonian multiple time-step schemes effectively precondition nonlinear differential equations for dynamics by reformulating them into a recursive root finding problem that can be solved by propagating a correction term through an internal loop, analogous to RESPA. Of special interest in the present context, a hybrid MD-MC version of the DHMTS algorithm is introduced to enforce detailed balance via a Metropolis acceptance criterion and ensure consistency with the Boltzmann distribution. The Metropolis criterion suppresses the discretization errors normally associated with the propagation according to the computationally inexpensive Hamiltonian, treating the discretization error as an external work. Illustrative tests are carried out to demonstrate the effectiveness of the method.
Green, David L.; Berry, Lee A.; Simpson, Adam B.; Younkin, Timothy R.
2018-04-01
We present the KINETIC-J code, a computational kernel for evaluating the linearized Vlasov equation with application to calculating the kinetic plasma response (current) to an applied time harmonic wave electric field. This code addresses the need for a configuration space evaluation of the plasma current to enable kinetic full-wave solvers for waves in hot plasmas to move beyond the limitations of the traditional Fourier spectral methods. We benchmark the kernel via comparison with the standard k →-space forms of the hot plasma conductivity tensor.
Real-time, single-step bioassay using nanoplasmonic resonator with ultra-high sensitivity
Energy Technology Data Exchange (ETDEWEB)
Zhang, Xiang; Ellman, Jonathan A; Chen, Fanqing Frank; Su, Kai-Hang; Wei, Qi-Huo; Sun, Cheng
2014-04-01
A nanoplasmonic resonator (NPR) comprising a metallic nanodisk with alternating shielding layer(s), having a tagged biomolecule conjugated or tethered to the surface of the nanoplasmonic resonator for highly sensitive measurement of enzymatic activity. NPRs enhance Raman signals in a highly reproducible manner, enabling fast detection of protease and enzyme activity, such as Prostate Specific Antigen (paPSA), in real-time, at picomolar sensitivity levels. Experiments on extracellular fluid (ECF) from paPSA-positive cells demonstrate specific detection in a complex bio-fluid background in real-time single-step detection in very small sample volumes.
Baron, Regis; Socol, Marius; Arhaliass, A.; Bruzac, Sandrine; Le Roux, Karine; Del Pino, J. Rodriguez; Berge, Jean-pascal; Kaas, Raymond
2015-01-01
We describe a one-step bio-refinery process for shrimp composites by-products. Its originality lies in a simple rapid (6 h) biotechnological cuticle fragmentation process that recovers all major compounds (chitins, peptides and minerals in particular calcium). The process consists of a controlled exogenous enzymatic proteolysis in a food-grade acidic medium allowing chitin purification (solid phase), and recovery of peptides and minerals (liquid phase). At a pH of between 3.5 and 4, protease ...
Chakroun, Nadim W.
2017-01-05
Recirculating flows in the wake of a bluff body, behind a sudden expansion or down-stream of a swirler, are pivotal for anchoring a flame and expanding the stability range. The size and structure of these recirculation zones and the accurate prediction of the length of these zones is a very important characteristic that computational simulations should have. Large eddy simulation (LES) techniques with an appropriate combustion model and reaction mechanism afford a balance between computational complexity and predictive accuracy. In this study, propane/air mixtures were simulated in a bluff-body stabilized combustor based on the Volvo test case and also in a backward-facing step combustor. The main goal is to investigate the role of the chemical mechanism and the accuracy of estimating the extinction strain rate on the prediction of important ow features such as recirculation zones. Two 2-step mechanisms were employed, one which gave reasonable extinction strain rates and another modi ed 2-step mechanism where it grossly over-predicted the values. This modified mechanism under-predicted recirculation zone lengths compared to the original mechanism and had worse agreement with experiments in both geometries. While the recirculation zone lengths predicted by both reduced mechanisms in the step combustor scale linearly with the extinction strain rate, the scaling curves do not match experimental results as none of the simpli ed mechanisms produce extinction strain rates that are consistent with those predicted by the comprehensive mechanisms. We conclude that it is very important that a chemical mechanism is able to correctly predict extinction strain rates if it is to be used in CFD simulations.
Combined Effects of Numerical Method Type and Time Step on Water Stressed Actual Crop ET
Directory of Open Access Journals (Sweden)
B. Ghahraman
2016-02-01
Full Text Available Introduction: Actual crop evapotranspiration (Eta is important in hydrologic modeling and irrigation water management issues. Actual ET depends on an estimation of a water stress index and average soil water at crop root zone, and so depends on a chosen numerical method and adapted time step. During periods with no rainfall and/or irrigation, actual ET can be computed analytically or by using different numerical methods. Overal, there are many factors that influence actual evapotranspiration. These factors are crop potential evapotranspiration, available root zone water content, time step, crop sensitivity, and soil. In this paper different numerical methods are compared for different soil textures and different crops sensitivities. Materials and Methods: During a specific time step with no rainfall or irrigation, change in soil water content would be equal to evapotranspiration, ET. In this approach, however, deep percolation is generally ignored due to deep water table and negligible unsaturated hydraulic conductivity below rooting depth. This differential equation may be solved analytically or numerically considering different algorithms. We adapted four different numerical methods, as explicit, implicit, and modified Euler, midpoint method, and 3-rd order Heun method to approximate the differential equation. Three general soil types of sand, silt, and clay, and three different crop types of sensitive, moderate, and resistant under Nishaboor plain were used. Standard soil fraction depletion (corresponding to ETc=5 mm.d-1, pstd, below which crop faces water stress is adopted for crop sensitivity. Three values for pstd were considered in this study to cover the common crops in the area, including winter wheat and barley, cotton, alfalfa, sugar beet, saffron, among the others. Based on this parameter, three classes for crop sensitivity was considered, sensitive crops with pstd=0.2, moderate crops with pstd=0.5, and resistive crops with pstd=0
International Nuclear Information System (INIS)
Aboanber, A.E.; Hamada, Y.M.
2008-01-01
An extensive knowledge of the spatial power distribution is required for the design and analysis of different types of current-generation reactors, and that requires the development of more sophisticated theoretical methods. Therefore, the need to develop new methods for multidimensional transient reactor analysis still exists. The objective of this paper is to develop a computationally efficient numerical method for solving the multigroup, multidimensional, static and transient neutron diffusion kinetics equations. A generalized Runge-Kutta method has been developed for the numerical integration of the stiff space-time diffusion equations. The method is fourth-order accurate, using an embedded third-order solution to arrive at an estimate of the truncation error for automatic time step control. In addition, the A(α)-stability properties of the method are investigated. The analyses of two- and three-dimensional benchmark problems as well as static and transient problems, demonstrate that very accurate solutions can be obtained with assembly-sized spatial meshes. Preliminary numerical evaluations using two- and three-dimensional finite difference codes showed that the presented generalized Runge-Kutta method is highly accurate and efficient when compared with other optimized iterative numerical and conventional finite difference methods
Sleep, John; Irving, Malcolm; Burton, Kevin
2005-03-15
The time course of isometric force development following photolytic release of ATP in the presence of Ca(2+) was characterized in single skinned fibres from rabbit psoas muscle. Pre-photolysis force was minimized using apyrase to remove contaminating ATP and ADP. After the initial force rise induced by ATP release, a rapid shortening ramp terminated by a step stretch to the original length was imposed, and the time course of the subsequent force redevelopment was again characterized. Force development after ATP release was accurately described by a lag phase followed by one or two exponential components. At 20 degrees C, the lag was 5.6 +/- 0.4 ms (s.e.m., n = 11), and the force rise was well fitted by a single exponential with rate constant 71 +/- 4 s(-1). Force redevelopment after shortening-restretch began from about half the plateau force level, and its single-exponential rate constant was 68 +/- 3 s(-1), very similar to that following ATP release. When fibres were activated by the addition of Ca(2+) in ATP-containing solution, force developed more slowly, and the rate constant for force redevelopment following shortening-restretch reached a maximum value of 38 +/- 4 s(-1) (n = 6) after about 6 s of activation. This lower value may be associated with progressive sarcomere disorder at elevated temperature. Force development following ATP release was much slower at 5 degrees C than at 20 degrees C. The rate constant of a single-exponential fit to the force rise was 4.3 +/- 0.4 s(-1) (n = 22), and this was again similar to that after shortening-restretch in the same activation at this temperature, 3.8 +/- 0.2 s(-1). We conclude that force development after ATP release and shortening-restretch are controlled by the same steps in the actin-myosin ATPase cycle. The present results and much previous work on mechanical-chemical coupling in muscle can be explained by a kinetic scheme in which force is generated by a rapid conformational change bracketed by two
Vaidya, Bhargav; Prasad, Deovrat; Mignone, Andrea; Sharma, Prateek; Rickler, Luca
2017-12-01
An important ingredient in numerical modelling of high temperature magnetized astrophysical plasmas is the anisotropic transport of heat along magnetic field lines from higher to lower temperatures. Magnetohydrodynamics typically involves solving the hyperbolic set of conservation equations along with the induction equation. Incorporating anisotropic thermal conduction requires to also treat parabolic terms arising from the diffusion operator. An explicit treatment of parabolic terms will considerably reduce the simulation time step due to its dependence on the square of the grid resolution (Δx) for stability. Although an implicit scheme relaxes the constraint on stability, it is difficult to distribute efficiently on a parallel architecture. Treating parabolic terms with accelerated super-time-stepping (STS) methods has been discussed in literature, but these methods suffer from poor accuracy (first order in time) and also have difficult-to-choose tuneable stability parameters. In this work, we highlight a second-order (in time) Runge-Kutta-Legendre (RKL) scheme (first described by Meyer, Balsara & Aslam 2012) that is robust, fast and accurate in treating parabolic terms alongside the hyperbolic conversation laws. We demonstrate its superiority over the first-order STS schemes with standard tests and astrophysical applications. We also show that explicit conduction is particularly robust in handling saturated thermal conduction. Parallel scaling of explicit conduction using RKL scheme is demonstrated up to more than 104 processors.
Rapid expansion method (REM) for time‐stepping in reverse time migration (RTM)
Pestana, Reynam C.
2009-01-01
We show that the wave equation solution using a conventional finite‐difference scheme, derived commonly by the Taylor series approach, can be derived directly from the rapid expansion method (REM). After some mathematical manipulation we consider an analytical approximation for the Bessel function where we assume that the time step is sufficiently small. From this derivation we find that if we consider only the first two Chebyshev polynomials terms in the rapid expansion method we can obtain the second order time finite‐difference scheme that is frequently used in more conventional finite‐difference implementations. We then show that if we use more terms from the REM we can obtain a more accurate time integration of the wave field. Consequently, we have demonstrated that the REM is more accurate than the usual finite‐difference schemes and it provides a wave equation solution which allows us to march in large time steps without numerical dispersion and is numerically stable. We illustrate the method with post and pre stack migration results.
Mollica, Luca; Theret, Isabelle; Antoine, Mathias; Perron-Sierra, Françoise; Charton, Yves; Fourquez, Jean-Marie; Wierzbicki, Michel; Boutin, Jean A; Ferry, Gilles; Decherchi, Sergio; Bottegoni, Giovanni; Ducrot, Pierre; Cavalli, Andrea
2016-08-11
Ligand-target residence time is emerging as a key drug discovery parameter because it can reliably predict drug efficacy in vivo. Experimental approaches to binding and unbinding kinetics are nowadays available, but we still lack reliable computational tools for predicting kinetics and residence time. Most attempts have been based on brute-force molecular dynamics (MD) simulations, which are CPU-demanding and not yet particularly accurate. We recently reported a new scaled-MD-based protocol, which showed potential for residence time prediction in drug discovery. Here, we further challenged our procedure's predictive ability by applying our methodology to a series of glucokinase activators that could be useful for treating type 2 diabetes mellitus. We combined scaled MD with experimental kinetics measurements and X-ray crystallography, promptly checking the protocol's reliability by directly comparing computational predictions and experimental measures. The good agreement highlights the potential of our scaled-MD-based approach as an innovative method for computationally estimating and predicting drug residence times.
International Nuclear Information System (INIS)
Hoffman, A. J.; Lee, J. C.
2013-01-01
A new time-dependent neutron transport method based on the method of characteristics (MOC) has been developed. Whereas most spatial kinetics methods treat time dependence through temporal discretization, this new method treats time dependence by defining the characteristics to span space and time. In this implementation regions are defined in space-time where the thickness of the region in time fulfills an analogous role to the time step in discretized methods. The time dependence of the local source is approximated using a truncated Taylor series expansion with high order derivatives approximated using backward differences, permitting the solution of the resulting space-time characteristic equation. To avoid a drastic increase in computational expense and memory requirements due to solving many discrete characteristics in the space-time planes, the temporal variation of the boundary source is similarly approximated. This allows the characteristics in the space-time plane to be represented analytically rather than discretely, resulting in an algorithm comparable in implementation and expense to one that arises from conventional time integration techniques. Furthermore, by defining the boundary flux time derivative in terms of the preceding local source time derivative and boundary flux time derivative, the need to store angularly-dependent data is avoided without approximating the angular dependence of the angular flux time derivative. The accuracy of this method is assessed through implementation in the neutron transport code DeCART. The method is employed with variable-order local source representation to model a TWIGL transient. The results demonstrate that this method is accurate and more efficient than the discretized method. (authors)
Intake flow and time step analysis in the modeling of a direct injection Diesel engine
Energy Technology Data Exchange (ETDEWEB)
Zancanaro Junior, Flavio V.; Vielmo, Horacio A. [Federal University of Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Mechanical Engineering Dept.], E-mails: zancanaro@mecanica.ufrgs.br, vielmoh@mecanica.ufrgs.br
2010-07-01
This paper discusses the effects of the time step on turbulence flow structure in the intake and in-cylinder systems of a Diesel engine during the intake process, under the motored condition. The three-dimensional modeling of a reciprocating engine geometry comprising a bowl-in-piston combustion chamber, intake port of shallow ramp helical type and exhaust port of conventional type. The equations are numerically solved, including a transient analysis, valves and piston movements, for engine speed of 1500 rpm, using a commercial Finite Volumes CFD code. A parallel computation is employed. For the purpose of examining the in-cylinder turbulence characteristics two parameters are observed: the discharge coefficient and swirl ratio. This two parameters quantify the fluid flow characteristics inside cylinder in the intake stroke, therefore, it is very important their study and understanding. Additionally, the evolution of the discharge coefficient and swirl ratio, along crank angle, are correlated and compared, with the objective of clarifying the physical mechanisms. Regarding the turbulence, computations are performed with the Eddy Viscosity Model k-u SST, in its Low-Reynolds approaches, with standard near wall treatment. The system of partial differential equations to be solved consists of the Reynolds-averaged compressible Navier-Stokes equations with the constitutive relations for an ideal gas, and using a segregated solution algorithm. The enthalpy equation is also solved. A moving hexahedral trimmed mesh independence study is presented. In the same way many convergence tests are performed, and a secure criterion established. The results of the pressure fields are shown in relation to vertical plane that passes through the valves. Areas of low pressure can be seen in the valve curtain region, due to strong jet flows. Also, it is possible to note divergences between the time steps, mainly for the smaller time step. (author)
Analytic solutions of the multigroup space-time reactor kinetics equations
International Nuclear Information System (INIS)
Lee, C.E.; Rottler, S.
1986-01-01
The development of analytical and numerical solutions to the reactor kinetics equations is reviewed. Analytic solutions of the multigroup space-time reactor kinetics equations are developed for bare and reflected slabs and spherical reactors for zero flux, zero current and extrapolated endpoint boundary conditions. The material properties of the reactors are assumed constant in space and time, but spatially-dependent source terms and initial conditions are investigated. The system of partial differential equations is reduced to a set of linear ordinary differential equations by the Laplace transform method. These equations are solved by matrix Green's functions yielding a general matrix solution for the neutron flux and precursor concentration in the Laplace transform space. The detailed pole structure of the Laplace transform matrix solutions is investigated. The temporally- and spatially-dependent solutions are determined from the inverse Laplace transform using the Cauchy residue theorem, the theorem of Frobenius, a knowledge of the detailed pole structure and matrix operators. (author)
Rajabi, Khadijeh
2015-01-01
A pulsed hydrogen/deuterium exchange (HDX) method has been developed for rapid monitoring of the exchange kinetics of protein ions with D2O a few milliseconds after electrospray ionization (ESI). The stepwise gradual evolution of HDX of multiply charged protein ions was monitored using the pulsed HDX mass spectrometry technique. Upon introducing a very short pulse of D2O (in the μs to ms time scale) into the linear ion trap (LIT) of a time-of-flight (TOF) mass spectrometer, bimodal distributions were detected for the ions of cytochrome c and ubiquitin. Mechanistic details of HDX reactions for ubiquitin and cytochrome c in the gas phase were uncovered and the structural transitions were followed by analyzing the kinetics of HDX.
Perturbed Strong Stability Preserving Time-Stepping Methods For Hyperbolic PDEs
Hadjimichael, Yiannis
2017-09-30
A plethora of physical phenomena are modelled by hyperbolic partial differential equations, for which the exact solution is usually not known. Numerical methods are employed to approximate the solution to hyperbolic problems; however, in many cases it is difficult to satisfy certain physical properties while maintaining high order of accuracy. In this thesis, we develop high-order time-stepping methods that are capable of maintaining stability constraints of the solution, when coupled with suitable spatial discretizations. Such methods are called strong stability preserving (SSP) time integrators, and we mainly focus on perturbed methods that use both upwind- and downwind-biased spatial discretizations. Firstly, we introduce a new family of third-order implicit Runge–Kuttas methods with arbitrarily large SSP coefficient. We investigate the stability and accuracy of these methods and we show that they perform well on hyperbolic problems with large CFL numbers. Moreover, we extend the analysis of SSP linear multistep methods to semi-discretized problems for which different terms on the right-hand side of the initial value problem satisfy different forward Euler (or circle) conditions. Optimal perturbed and additive monotonicity-preserving linear multistep methods are studied in the context of such problems. Optimal perturbed methods attain augmented monotonicity-preserving step sizes when the different forward Euler conditions are taken into account. On the other hand, we show that optimal SSP additive methods achieve a monotonicity-preserving step-size restriction no better than that of the corresponding non-additive SSP linear multistep methods. Furthermore, we develop the first SSP linear multistep methods of order two and three with variable step size, and study their optimality. We describe an optimal step-size strategy and demonstrate the effectiveness of these methods on various one- and multi-dimensional problems. Finally, we establish necessary conditions
Smart Wireless Power Transfer Operated by Time-Modulated Arrays via a Two-Step Procedure
Directory of Open Access Journals (Sweden)
Diego Masotti
2015-01-01
Full Text Available The paper introduces a novel method for agile and precise wireless power transmission operated by a time-modulated array. The unique, almost real-time reconfiguration capability of these arrays is fully exploited by a two-step procedure: first, a two-element time-modulated subarray is used for localization of tagged sensors to be energized; the entire 16-element TMA then provides the power to the detected tags, by exploiting the fundamental and first-sideband harmonic radiation. An investigation on the best array architecture is carried out, showing the importance of the adopted nonlinear/full-wave computer-aided-design platform. Very promising simulated energy transfer performance of the entire nonlinear radiating system is demonstrated.
Coenen, Pieter; Healy, Genevieve N; Winkler, Elisabeth A H; Dunstan, David W; Owen, Neville; Moodie, Marj; LaMontagne, Anthony D; Eakin, Elizabeth A; O'Sullivan, Peter B; Straker, Leon M
2018-04-22
We examined the association of musculoskeletal symptoms (MSS) with workplace sitting, standing and stepping time, as well as sitting and standing time accumulation (i.e. usual bout duration of these activities), measured objectively with the activPAL3 monitor. Using baseline data from the Stand Up Victoria trial (216 office workers, 14 workplaces), cross-sectional associations of occupational activities with self-reported MSS (low-back, upper and lower extremity symptoms in the last three months) were examined using probit regression, correcting for clustering and adjusting for confounders. Sitting bout duration was significantly (p < 0.05) associated, non-linearly, with MSS, such that those in the middle tertile displayed the highest prevalence of upper extremity symptoms. Other associations were non-significant but sometimes involved large differences in symptom prevalence (e.g. 38%) by activity. Though causation is unclear, these non-linear associations suggest that sitting and its alternatives (i.e. standing and stepping) interact with MSS and this should be considered when designing safe work systems. Practitioner summary: We studied associations of objectively assessed occupational activities with musculoskeletal symptoms in office workers. Workers who accumulated longer sitting bouts reported fewer upper extremity symptoms. Total activity duration was not significantly associated with musculoskeletal symptoms. We underline the importance of considering total volumes and patterns of activity time in musculoskeletal research.
A one-step, real-time PCR assay for rapid detection of rhinovirus.
Do, Duc H; Laus, Stella; Leber, Amy; Marcon, Mario J; Jordan, Jeanne A; Martin, Judith M; Wadowsky, Robert M
2010-01-01
One-step, real-time PCR assays for rhinovirus have been developed for a limited number of PCR amplification platforms and chemistries, and some exhibit cross-reactivity with genetically similar enteroviruses. We developed a one-step, real-time PCR assay for rhinovirus by using a sequence detection system (Applied Biosystems; Foster City, CA). The primers were designed to amplify a 120-base target in the noncoding region of picornavirus RNA, and a TaqMan (Applied Biosystems) degenerate probe was designed for the specific detection of rhinovirus amplicons. The PCR assay had no cross-reactivity with a panel of 76 nontarget nucleic acids, which included RNAs from 43 enterovirus strains. Excellent lower limits of detection relative to viral culture were observed for the PCR assay by using 38 of 40 rhinovirus reference strains representing different serotypes, which could reproducibly detect rhinovirus serotype 2 in viral transport medium containing 10 to 10,000 TCID(50) (50% tissue culture infectious dose endpoint) units/ml of the virus. However, for rhinovirus serotypes 59 and 69, the PCR assay was less sensitive than culture. Testing of 48 clinical specimens from children with cold-like illnesses for rhinovirus by the PCR and culture assays yielded detection rates of 16.7% and 6.3%, respectively. For a batch of 10 specimens, the entire assay was completed in 4.5 hours. This real-time PCR assay enables detection of many rhinovirus serotypes with the Applied Biosystems reagent-instrument platform.
Imaginary Time Step Method to Solve the Dirac Equation with Nonlocal Potential
International Nuclear Information System (INIS)
Zhang Ying; Liang Haozhao; Meng Jie
2009-01-01
The imaginary time step (ITS) method is applied to solve the Dirac equation with nonlocal potentials in coordinate space. Taking the nucleus 12 C as an example, even with nonlocal potentials, the direct ITS evolution for the Dirac equation still meets the disaster of the Dirac sea. However, following the recipe in our former investigation, the disaster can be avoided by the ITS evolution for the corresponding Schroedinger-like equation without localization, which gives the convergent results exactly the same with those obtained iteratively by the shooting method with localized effective potentials.
Rigid Body Sampling and Individual Time Stepping for Rigid-Fluid Coupling of Fluid Simulation
Directory of Open Access Journals (Sweden)
Xiaokun Wang
2017-01-01
Full Text Available In this paper, we propose an efficient and simple rigid-fluid coupling scheme with scientific programming algorithms for particle-based fluid simulation and three-dimensional visualization. Our approach samples the surface of rigid bodies with boundary particles that interact with fluids. It contains two procedures, that is, surface sampling and sampling relaxation, which insures uniform distribution of particles with less iterations. Furthermore, we present a rigid-fluid coupling scheme integrating individual time stepping to rigid-fluid coupling, which gains an obvious speedup compared to previous method. The experimental results demonstrate the effectiveness of our approach.
The enhancement of time-stepping procedures in SYVAC A/C
International Nuclear Information System (INIS)
Broyd, T.W.
1986-01-01
This report summarises the work carried out an SYVAC A/C between February and May 1985 aimed at improving the way in which time-stepping procedures are handled. The majority of the work was concerned with three types of problem, viz: i) Long vault release, short geosphere response ii) Short vault release, long geosphere response iii) Short vault release, short geosphere response The report contains details of changes to the logic and structure of SYVAC A/C, as well as the results of code implementation tests. It has been written primarily for members of the UK SYVAC development team, and should not be used or referred to in isolation. (author)
Seminario, Diana M; Balaban, Murat O; Rodrick, Gary
2011-03-01
Vibrio vulnificus (Vv) is a pathogen that can be found in raw oysters. Freezing can reduce Vv and increase the shelf life of oysters. The objective of this study was to develop predictive inactivation kinetic models for pure cultures of Vv at different frozen storage temperatures and times. Vv was diluted in phosphate-buffered saline (PBS) to obtain about 10(7) CFU/mL. Samples were frozen at -10, -35, and -80 °C (different freezing rates), and stored at different temperatures. Survival of Vv was followed after freezing and storage at -10 °C (0, 3, 6, and 9 d) and at -35 and -80 °C (every week for 6 wk). For every treatment, time-temperature data was obtained using thermocouples in blank vials. Predictive models were developed using first-order, Weibull and Peleg inactivation kinetics. Different freezing temperatures did not significantly (α = 0.05) affect survival of Vv immediately after freezing. The combined effect of freezing and 1 wk frozen storage resulted in 1.5, 2.6, and 4.9 log10 reductions for samples stored at -80, -35, and -10 °C, respectively. Storage temperature was the critical parameter in survival of Vv. A modified Weibull model successfully predicted Vv survival during frozen storage: log10 Nt = log 10No - 1.22 - ([t/10{-1.163-0.0466T}][0.00025T(2) + 0.049325]). N(o) and N(t) are initial and time t (d) survival counts, T is frozen storage temperature, Celsius degree. Vibrio vulnificus can be inactivated by freezing. Models to predict survival of V. vulnificus at different freezing temperatures and times were developed. This is the first step towards the prediction of V. vulnificus related safety of frozen oysters.
Time ordering of two-step processes in energetic ion-atom collisions: Basic formalism
International Nuclear Information System (INIS)
Stolterfoht, N.
1993-01-01
The semiclassical approximation is applied in second order to describe time ordering of two-step processes in energetic ion-atom collisions. Emphasis is given to the conditions for interferences between first- and second-order terms. In systems with two active electrons, time ordering gives rise to a pair of associated paths involving a second-order process and its time-inverted process. Combining these paths within the independent-particle frozen orbital model, time ordering is lost. It is shown that the loss of time ordering modifies the second-order amplitude so that its ability to interfere with the first-order amplitude is essentially reduced. Time ordering and the capability for interference is regained, as one path is blocked by means of the Pauli exclusion principle. The time-ordering formalism is prepared for papers dealing with collision experiments of single excitation [Stolterfoht et al., following paper, Phys. Rev. A 48, 2986 (1993)] and double excitation [Stolterfoht et al. (unpublished)
De Basabe, Joná s D.; Sen, Mrinal K.
2010-01-01
popular in the recent past. We consider the Lax-Wendroff method (LWM) for time stepping and show that it allows for a larger time step than the classical leap-frog finite difference method, with higher-order accuracy. In particular the fourth-order LWM
Geevers, Sjoerd; van der Vegt, J.J.W.
2017-01-01
We present sharp and sucient bounds for the interior penalty term and time step size to ensure stability of the symmetric interior penalty discontinuous Galerkin (SIPDG) method combined with an explicit time-stepping scheme. These conditions hold for generic meshes, including unstructured
Discrete maximal regularity of time-stepping schemes for fractional evolution equations.
Jin, Bangti; Li, Buyang; Zhou, Zhi
2018-01-01
In this work, we establish the maximal [Formula: see text]-regularity for several time stepping schemes for a fractional evolution model, which involves a fractional derivative of order [Formula: see text], [Formula: see text], in time. These schemes include convolution quadratures generated by backward Euler method and second-order backward difference formula, the L1 scheme, explicit Euler method and a fractional variant of the Crank-Nicolson method. The main tools for the analysis include operator-valued Fourier multiplier theorem due to Weis (Math Ann 319:735-758, 2001. doi:10.1007/PL00004457) and its discrete analogue due to Blunck (Stud Math 146:157-176, 2001. doi:10.4064/sm146-2-3). These results generalize the corresponding results for parabolic problems.
Bunce, David; Haynes, Becky I; Lord, Stephen R; Gschwind, Yves J; Kochan, Nicole A; Reppermund, Simone; Brodaty, Henry; Sachdev, Perminder S; Delbaere, Kim
2017-06-01
Reaction time measures have considerable potential to aid neuropsychological assessment in a variety of health care settings. One such measure, the intraindividual reaction time variability (IIV), is of particular interest as it is thought to reflect neurobiological disturbance. IIV is associated with a variety of age-related neurological disorders, as well as gait impairment and future falls in older adults. However, although persons diagnosed with Mild Cognitive Impairment (MCI) are at high risk of falling, the association between IIV and prospective falls is unknown. We conducted a longitudinal cohort study in cognitively intact (n = 271) and MCI (n = 154) community-dwelling adults aged 70-90 years. IIV was assessed through a variety of measures including simple and choice hand reaction time and choice stepping reaction time tasks (CSRT), the latter administered as a single task and also with a secondary working memory task. Logistic regression did not show an association between IIV on the hand-held tasks and falls. Greater IIV in both CSRT tasks, however, did significantly increase the risk of future falls. This effect was specific to the MCI group, with a stronger effect in persons exhibiting gait, posture, or physiological impairment. The findings suggest that increased stepping IIV may indicate compromised neural circuitry involved in executive function, gait, and posture in persons with MCI increasing their risk of falling. IIV measures have potential to assess neurobiological disturbance underlying physical and cognitive dysfunction in old age, and aid fall risk assessment and routine care in community and health care settings. © The Author 2016. Published by Oxford University Press on behalf of The Gerontological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
Liu, H. Z.; Wang, M. H.; Wang, Z. F.; Bian, J. M.
2018-01-01
Due to using gaseous fluorine monomer with toxicity, waterborne fluoropolymers are synthesized by semi-continuous high-pressure emulsion polymerization method which differs from free-pressure emulsion polymerization. To dates, the research on preparing process and kinetics for high-pressure emulsion polymerization is reported relatively less, which hinders researchers from understanding of mechanisms for monomer-fluorinated emulsion polymerization. The paper also provides a new method by element auxiliary analysis to calculate kinetics parameters of high-pressure emulsion polymerization. Based on aforementioned consideration, waterborne fluoropolymers were prepared by copolymerization of chlorotrifluoroethylene (CTFE), vinyl acetate (VAc), butyl acrylate (BA) and vinyl ester of versatic acid (Veova 10) using potassium persulfate as initiator and mixed surfactants. The kinetics of emulsion polymerization of waterborne fluoropolymers was then investigated. Effects of emulsifier concentration, initiator concentration, and polymerization temperature on polymerization rate (Rp) were evaluated, and relationship was described as Rp∝[I]0.10 and Rp∝[E]0.12. The apparent activation energy was determined to be 33.61 kJ·mol-1. Moreover, the relative conversion rate of CTFE with the other monomers was observed, and results indicated that CTFE monomer more uniformly copolymerized with the other monomers. The resulting emulsion properties and pressure change in an autoclave were evaluated at different stirring rates. The initial reaction time, defined as the beginning time of dropwise addition, was determined by the change in solid content and particle size of emulsion.
Development of real time diagnostics and feedback algorithms for JET in view of the next step
International Nuclear Information System (INIS)
Murari, A.; Felton, R.; Zabeo, L.; Piccolo, F.; Sartori, F.; Murari, A.; Barana, O.; Albanese, R.; Joffrin, E.; Mazon, D.; Laborde, L.; Moreau, D.; Arena, P.; Bruno, M.; Ambrosino, G.; Ariola, M.; Crisanti, F.; Luna, E. de la; Sanchez, J.
2004-01-01
Real time control of many plasma parameters will be an essential aspect in the development of reliable high performance operation of Next Step Tokamaks. The main prerequisites for any feedback scheme are the precise real-time determination of the quantities to be controlled, requiring top quality and highly reliable diagnostics, and the availability of robust control algorithms. A new set of real time diagnostics was recently implemented on JET to prove the feasibility of determining, with high accuracy and time resolution, the most important plasma quantities. With regard to feedback algorithms, new model-based controllers were developed to allow a more robust control of several plasma parameters. Both diagnostics and algorithms were successfully used in several experiments, ranging from H-mode plasmas to configuration with internal transport barriers. Since elaboration of computationally heavy measurements is often required, significant attention was devoted to non-algorithmic methods like Digital or Cellular Neural/Nonlinear Networks. The real time hardware and software adopted architectures are also described with particular attention to their relevance to ITER. (authors)
Development of real time diagnostics and feedback algorithms for JET in view of the next step
International Nuclear Information System (INIS)
Murari, A.; Barana, O.; Murari, A.; Felton, R.; Zabeo, L.; Piccolo, F.; Sartori, F.; Joffrin, E.; Mazon, D.; Laborde, L.; Moreau, D.; Albanese, R.; Arena, P.; Bruno, M.; Ambrosino, G.; Ariola, M.; Crisanti, F.; Luna, E. de la; Sanchez, J.
2004-01-01
Real time control of many plasma parameters will be an essential aspect in the development of reliable high performance operation of Next Step Tokamaks. The main prerequisites for any feedback scheme are the precise real-time determination of the quantities to be controlled, requiring top quality and highly reliable diagnostics, and the availability of robust control algorithms. A new set of real time diagnostics was recently implemented on JET to prove the feasibility of determining, with high accuracy and time resolution, the most important plasma quantities. With regard to feedback algorithms, new model-based controllers were developed to allow a more robust control of several plasma parameters. Both diagnostics and algorithms were successfully used in several experiments, ranging from H-mode plasmas to configuration with ITBs (internal thermal barriers). Since elaboration of computationally heavy measurements is often required, significant attention was devoted to non-algorithmic methods like Digital or Cellular Neural/Nonlinear Networks. The real time hardware and software adopted architectures are also described with particular attention to their relevance to ITER. (authors)
Development of real time diagnostics and feedback algorithms for JET in view of the next step
Energy Technology Data Exchange (ETDEWEB)
Murari, A.; Barana, O. [Consorzio RFX Associazione EURATOM ENEA per la Fusione, Corso Stati Uniti 4, Padua (Italy); Felton, R.; Zabeo, L.; Piccolo, F.; Sartori, F. [Euratom/UKAEA Fusion Assoc., Culham Science Centre, Abingdon, Oxon (United Kingdom); Joffrin, E.; Mazon, D.; Laborde, L.; Moreau, D. [Association EURATOM-CEA, CEA Cadarache, 13 - Saint-Paul-lez-Durance (France); Albanese, R. [Assoc. Euratom-ENEA-CREATE, Univ. Mediterranea RC (Italy); Arena, P.; Bruno, M. [Assoc. Euratom-ENEA-CREATE, Univ.di Catania (Italy); Ambrosino, G.; Ariola, M. [Assoc. Euratom-ENEA-CREATE, Univ. Napoli Federico Napoli (Italy); Crisanti, F. [Associazone EURATOM ENEA sulla Fusione, C.R. Frascati (Italy); Luna, E. de la; Sanchez, J. [Associacion EURATOM CIEMAT para Fusion, Madrid (Spain)
2004-07-01
Real time control of many plasma parameters will be an essential aspect in the development of reliable high performance operation of Next Step Tokamaks. The main prerequisites for any feedback scheme are the precise real-time determination of the quantities to be controlled, requiring top quality and highly reliable diagnostics, and the availability of robust control algorithms. A new set of real time diagnostics was recently implemented on JET to prove the feasibility of determining, with high accuracy and time resolution, the most important plasma quantities. With regard to feedback algorithms, new model-based controllers were developed to allow a more robust control of several plasma parameters. Both diagnostics and algorithms were successfully used in several experiments, ranging from H-mode plasmas to configuration with ITBs (internal thermal barriers). Since elaboration of computationally heavy measurements is often required, significant attention was devoted to non-algorithmic methods like Digital or Cellular Neural/Nonlinear Networks. The real time hardware and software adopted architectures are also described with particular attention to their relevance to ITER. (authors)
Hoepfer, Matthias
co-simulation approach to modeling and simulation. It lays out the general approach to dynamic system co-simulation, and gives a comprehensive overview of what co-simulation is and what it is not. It creates a taxonomy of the requirements and limits of co-simulation, and the issues arising with co-simulating sub-models. Possible solutions towards resolving the stated problems are investigated to a certain depth. A particular focus is given to the issue of time stepping. It will be shown that for dynamic models, the selection of the simulation time step is a crucial issue with respect to computational expense, simulation accuracy, and error control. The reasons for this are discussed in depth, and a time stepping algorithm for co-simulation with unknown dynamic sub-models is proposed. Motivations and suggestions for the further treatment of selected issues are presented.
Nikzad, Nasim; Sahari, Mohammad A; Vanak, Zahra Piravi; Safafar, Hamed; Boland-nazar, Seyed A
2013-08-01
Weight, oil, fatty acids, tocopherol, polyphenol, and sterol properties of 5 olive cultivars (Zard, Fishomi, Ascolana, Amigdalolia, and Conservalia) during crude, lye treatment, washing, fermentation, and pasteurization steps were studied. Results showed: oil percent was higher and lower in Ascolana (crude step) and in Fishomi (pasteurization step), respectively; during processing steps, in all cultivars, oleic, palmitic, linoleic, and stearic acids were higher; the highest changes in saturated and unsaturated fatty acids were in fermentation step; the highest and the lowest ratios of ω3 / ω6 were in Ascolana (washing step) and in Zard (pasteurization step), respectively; the highest and the lowest tocopherol were in Amigdalolia and Fishomi, respectively, and major damage occurred in lye step; the highest and the lowest polyphenols were in Ascolana (crude step) and in Zard and Ascolana (pasteurization step), respectively; the major damage among cultivars occurred during lye step, in which the polyphenol reduced to 1/10 of first content; sterol did not undergo changes during steps. Reviewing of olive patents shows that many compositions of fruits such as oil quality, fatty acids, quantity and its fraction can be changed by alteration in cultivar and process.
Avoid the tsunami of the Dirac sea in the imaginary time step method
International Nuclear Information System (INIS)
Zhang, Ying; Liang, Haozhao; Meng, Jie
2010-01-01
The discrete single-particle spectra in both the Fermi and Dirac sea have been calculated by the imaginary time step (ITS) method for the Schroedinger-like equation after avoiding the "tsunami" of the Dirac sea, i.e. the diving behavior of the single-particle level into the Dirac sea in the direct application of the ITS method for the Dirac equation. It is found that by the transform from the Dirac equation to the Schroedinger-like equation, the single-particle spectra, which extend from the positive to the negative infinity, can be separately obtained by the ITS evolution in either the Fermi sea or the Dirac sea. Identical results with those in the conventional shooting method have been obtained via the ITS evolution for the equivalent Schroedinger-like equation, which demonstrates the feasibility, practicality and reliability of the present algorithm and dispels the doubts on the ITS method in the relativistic system. (author)
Computer experiments of the time-sequence of individual steps in multiple Coulomb-excitation
International Nuclear Information System (INIS)
Boer, J. de; Dannhaueser, G.
1982-01-01
The way in which the multiple E2 steps in the Coulomb-excitation of a rotational band of a nucleus follow one another is elucidated for selected examples using semiclassical computer experiments. The role a given transition plays for the excitation of a given final state is measured by a quantity named ''importance function''. It is found that these functions, calculated for the highest rotational state, peak at times forming a sequence for the successive E2 transitions starting from the ground state. This sequential behaviour is used to approximately account for the effects on the projectile orbit of the sequential transfer of excitation energy and angular momentum from projectile to target. These orbits lead to similar deflection functions and cross sections as those obtained from a symmetrization procedure approximately accounting for the transfer of angular momentum and energy. (Auth.)
Detection and Correction of Step Discontinuities in Kepler Flux Time Series
Kolodziejczak, J. J.; Morris, R. L.
2011-01-01
PDC 8.0 includes an implementation of a new algorithm to detect and correct step discontinuities appearing in roughly one of every 20 stellar light curves during a given quarter. The majority of such discontinuities are believed to result from high-energy particles (either cosmic or solar in origin) striking the photometer and causing permanent local changes (typically -0.5%) in quantum efficiency, though a partial exponential recovery is often observed [1]. Since these features, dubbed sudden pixel sensitivity dropouts (SPSDs), are uncorrelated across targets they cannot be properly accounted for by the current detrending algorithm. PDC detrending is based on the assumption that features in flux time series are due either to intrinsic stellar phenomena or to systematic errors and that systematics will exhibit measurable correlations across targets. SPSD events violate these assumptions and their successful removal not only rectifies the flux values of affected targets, but demonstrably improves the overall performance of PDC detrending [1].
Hsu, Ming-Chen
2010-02-01
The objective of this paper is to show that use of the element-vector-based definition of stabilization parameters, introduced in [T.E. Tezduyar, Computation of moving boundaries and interfaces and stabilization parameters, Int. J. Numer. Methods Fluids 43 (2003) 555-575; T.E. Tezduyar, Y. Osawa, Finite element stabilization parameters computed from element matrices and vectors, Comput. Methods Appl. Mech. Engrg. 190 (2000) 411-430], circumvents the well-known instability associated with conventional stabilized formulations at small time steps. We describe formulations for linear advection-diffusion and incompressible Navier-Stokes equations and test them on three benchmark problems: advection of an L-shaped discontinuity, laminar flow in a square domain at low Reynolds number, and turbulent channel flow at friction-velocity Reynolds number of 395. © 2009 Elsevier B.V. All rights reserved.
International Nuclear Information System (INIS)
Schneeberger, B.; Breuleux, R.
1977-01-01
Assuming that earthquake ground motion is a stationary time function, the seismic analysis of a linear structure can be done by probailistic methods using the 'power spectral density function' (PSD), instead of applying the more traditional time-step-integration using earthquake time histories (TH). A given structure was analysed both by PSD and TH methods computing and comparing 'floor response spectra'. The analysis using TH was performed for two different TH and different frequency intervals for the 'floor-response-spectra'. The analysis using PSD first produced PSD functions of the responses of the floors and these were then converted into 'foor-response-spectra'. Plots of the resulting 'floor-response-spectra' show: (1) The agreement of TH and PSD results is quite close. (2) The curves produced by PSD are much smoother than those produced by TH and mostly form an enelope of the latter. (3) The curves produced by TH are quite jagged with the location and magnitude of the peaks depending on the choice of frequencies at which the 'floor-response-spectra' were evaluated and on the choice of TH. (Auth.)
Detection of Tomato black ring virus by real-time one-step RT-PCR.
Harper, Scott J; Delmiglio, Catia; Ward, Lisa I; Clover, Gerard R G
2011-01-01
A TaqMan-based real-time one-step RT-PCR assay was developed for the rapid detection of Tomato black ring virus (TBRV), a significant plant pathogen which infects a wide range of economically important crops. Primers and a probe were designed against existing genomic sequences to amplify a 72 bp fragment from RNA-2. The assay amplified all isolates of TBRV tested, but no amplification was observed from the RNA of other nepovirus species or healthy host plants. The detection limit of the assay was estimated to be around nine copies of the TBRV target region in total RNA. A comparison with conventional RT-PCR and ELISA, indicated that ELISA, the current standard test method, lacked specificity and reacted to all nepovirus species tested, while conventional RT-PCR was approximately ten-fold less sensitive than the real-time RT-PCR assay. Finally, the real-time RT-PCR assay was tested using five different RT-PCR reagent kits and was found to be robust and reliable, with no significant differences in sensitivity being found. The development of this rapid assay should aid in quarantine and post-border surveys for regulatory agencies. Copyright © 2010 Elsevier B.V. All rights reserved.
First passage times for multiple particles with reversible target-binding kinetics
Grebenkov, Denis S.
2017-10-01
We investigate the first passage problem for multiple particles that diffuse towards a target, partially adsorb there, and then desorb after a finite exponentially distributed residence time. We search for the first time when m particles undergoing such reversible target-binding kinetics are found simultaneously on the target that may trigger an irreversible chemical reaction or a biophysical event. Even if the particles are independent, the finite residence time on the target yields an intricate temporal coupling between particles. We compute analytically the mean first passage time (MFPT) for two independent particles by mapping the original problem to higher-dimensional surface-mediated diffusion and solving the coupled partial differential equations. The respective effects of the adsorption and desorption rates on the MFPT are revealed and discussed.
Study of N-13 decay on time using continuous kinetic function method
International Nuclear Information System (INIS)
Tran Dai Nghiep; Vu Hoang Lam; Nguyen Ngoc Son; Nguyen Duc Thanh
1993-01-01
The decay function from radioisotope 13 N formed in the reaction 14 N(γ,n) 13 N was registered by high resolution gamma spectrometer in multiscanning mode with gamma energy 511 keV. The experimental data was processed by common and kinetic function method. The continuous comparison of the decay function on time permits to determinate possible deviation from purely exponential decay curve. The results were described by several decay theories. The degrees of corresponding between theories and experiment were evaluated by goodness factor. A complex type of decay was considered. (author). 9 refs, 2 tabs, 6 figs
Numerical instability of time-discretized one-point kinetic equations
International Nuclear Information System (INIS)
Hashimoto, Kengo; Ikeda, Hideaki; Takeda, Toshikazu
2000-01-01
The one-point kinetic equations with numerical errors induced by the explicit, implicit and Crank-Nicolson integration methods are derived. The zero-power transfer functions based on the present equations are demonstrated to investigate the numerical stability of the discretized systems. These demonstrations indicate unconditional stability for the implicit and Crank-Nicolson methods but present the possibility of numerical instability for the explicit method. An upper limit of time mesh spacing for the stability is formulated and several numerical calculations are made to confirm the validity of this formula
Coupled kinetic equations for fermions and bosons in the relaxation-time approximation
Florkowski, Wojciech; Maksymiuk, Ewa; Ryblewski, Radoslaw
2018-02-01
Kinetic equations for fermions and bosons are solved numerically in the relaxation-time approximation for the case of one-dimensional boost-invariant geometry. Fermions are massive and carry baryon number, while bosons are massless. The conservation laws for the baryon number, energy, and momentum lead to two Landau matching conditions, which specify the coupling between the fermionic and bosonic sectors and determine the proper-time dependence of the effective temperature and baryon chemical potential of the system. The numerical results illustrate how a nonequilibrium mixture of fermions and bosons approaches hydrodynamic regime described by the Navier-Stokes equations with appropriate forms of the kinetic coefficients. The shear viscosity of a mixture is the sum of the shear viscosities of fermion and boson components, while the bulk viscosity is given by the formula known for a gas of fermions, however, with the thermodynamic variables characterising the mixture. Thus, we find that massless bosons contribute in a nontrivial way to the bulk viscosity of a mixture, provided fermions are massive. We further observe the hydrodynamization effect, which takes place earlier in the shear sector than in the bulk one. The numerical studies of the ratio of the longitudinal and transverse pressures show, to a good approximation, that it depends on the ratio of the relaxation and proper times only. This behavior is connected with the existence of an attractor solution for conformal systems.
Short-time beta grain growth kinetics for a conventional titanium alloy
International Nuclear Information System (INIS)
Semiatin, S.L.; Sukonnik, I.M.
1996-01-01
The kinetics of beta grain growth during short-time, supertransus heat treatment of Ti-5Al-4V were determined using a salt-pot technique. The finite-time, subtransus temperature transient during salt-pot heating was quantified through measurements of the heat transfer coefficient characterizing conduction across the salt-titanium interface and a simple heat conduction analysis which incorporated this heat transfer coefficient. Grain size versus time data adjusted to account for the subtransus temperature transient were successfully fit to the parabolic grain growth law d n - d 0 n = kt exp(-Q/RT) using an exponent n equal to 2.0. Comparison of the present results to rapid, continuous heat treatment data in the literature for a similar titanium alloy revealed a number of semi-quantitative similarities
Zhang, Dian; Strawn, Mary; Novak, John T; Wang, Zhi-Wu
2018-07-01
The highly volatile methanethiol (MT) with an extremely low odor threshold and distinctive putrid smell is often identified as a major odorous compound generated under anaerobic conditions. As an intermediate compound in the course of anaerobic digestion, the extent of MT emission is closely related to the time of anaerobic reaction. In this study, lab-scale anaerobic digesters were operated at solids retention time (SRTs) of 15, 20, 25, 30, 40 and 50 days to investigate the effect of SRT on MT emission. The experimental results demonstrated a bell-shaped curve of MT emission versus SRT with a peak around 20 days SRT. In order to understand this SRT effect, a kinetic model was developed to describe MT production and utilization dynamics in the course of anaerobic digestion and calibrated with the experimental results collected from this study. The model outcome revealed that the high protein content in the feed sludge together with the large maintenance coefficient of MT fermenters are responsible for the peak MT emission emergence in the range of typical SRT used for anaerobic digestion. A further analysis of the kinetic model shows that it can be extensively simplified with reasonable approximation to a form that anaerobic digestion practitioners could easily use to predict the MT and SRT relationship. Copyright © 2018 Elsevier Ltd. All rights reserved.
Chidori, Kazuhiro; Yamamoto, Yuji
2017-01-01
The aim of this study was to evaluate the effects of the lateral amplitude and regularity of upper body fluctuation on step time variability. Return map analysis was used to clarify the relationship between step time variability and a history of falling. Eleven healthy, community-dwelling older adults and twelve younger adults participated in the study. All of the subjects walked 25 m at a comfortable speed. Trunk acceleration was measured using triaxial accelerometers attached to the third lumbar vertebrae (L3) and the seventh cervical vertebrae (C7). The normalized average magnitude of acceleration, the coefficient of determination ($R^2$) of the return map, and the step time variabilities, were calculated. Cluster analysis using the average fluctuation and the regularity of C7 fluctuation identified four walking patterns in the mediolateral (ML) direction. The participants with higher fluctuation and lower regularity showed significantly greater step time variability compared with the others. Additionally, elderly participants who had fallen in the past year had higher amplitude and a lower regularity of fluctuation during walking. In conclusion, by focusing on the time evolution of each step, it is possible to understand the cause of stride and/or step time variability that is associated with a risk of falls.
Directory of Open Access Journals (Sweden)
Po Hu
2016-01-01
Full Text Available Implementing real-time machining process control at shop floor has great significance on raising the efficiency and quality of product manufacturing. A framework and implementation methods of real-time machining process control based on STEP-NC are presented in this paper. Data model compatible with ISO 14649 standard is built to transfer high-level real-time machining process control information between CAPP systems and CNC systems, in which EXPRESS language is used to define new STEP-NC entities. Methods for implementing real-time machining process control at shop floor are studied and realized on an open STEP-NC controller, which is developed using object-oriented, multithread, and shared memory technologies conjunctively. Cutting force at specific direction of machining feature in side mill is chosen to be controlled object, and a fuzzy control algorithm with self-adjusting factor is designed and embedded in the software CNC kernel of STEP-NC controller. Experiments are carried out to verify the proposed framework, STEP-NC data model, and implementation methods for real-time machining process control. The results of experiments prove that real-time machining process control tasks can be interpreted and executed correctly by the STEP-NC controller at shop floor, in which actual cutting force is kept around ideal value, whether axial cutting depth changes suddenly or continuously.
Caetano, Maria Joana D; Lord, Stephen R; Allen, Natalie E; Brodie, Matthew A; Song, Jooeun; Paul, Serene S; Canning, Colleen G; Menant, Jasmine C
2018-02-01
Decline in the ability to take effective steps and to adapt gait, particularly under challenging conditions, may be important reasons why people with Parkinson's disease (PD) have an increased risk of falling. This study aimed to determine the extent of stepping and gait adaptability impairments in PD individuals as well as their associations with PD symptoms, cognitive function and previous falls. Thirty-three older people with PD and 33 controls were assessed in choice stepping reaction time, Stroop stepping and gait adaptability tests; measurements identified as fall risk factors in older adults. People with PD had similar mean choice stepping reaction times to healthy controls, but had significantly greater intra-individual variability. In the Stroop stepping test, the PD participants were more likely to make an error (48 vs 18%), took 715 ms longer to react (2312 vs 1517 ms) and had significantly greater response variability (536 vs 329 ms) than the healthy controls. People with PD also had more difficulties adapting their gait in response to targets (poorer stepping accuracy) and obstacles (increased number of steps) appearing at short notice on a walkway. Within the PD group, higher disease severity, reduced cognition and previous falls were associated with poorer stepping and gait adaptability performances. People with PD have reduced ability to adapt gait to unexpected targets and obstacles and exhibit poorer stepping responses, particularly in a test condition involving conflict resolution. Such impaired stepping responses in Parkinson's disease are associated with disease severity, cognitive impairment and falls. Copyright © 2017 Elsevier Ltd. All rights reserved.
On an adaptive time stepping strategy for solving nonlinear diffusion equations
International Nuclear Information System (INIS)
Chen, K.; Baines, M.J.; Sweby, P.K.
1993-01-01
A new time step selection procedure is proposed for solving non- linear diffusion equations. It has been implemented in the ASWR finite element code of Lorenz and Svoboda [10] for 2D semiconductor process modelling diffusion equations. The strategy is based on equi-distributing the local truncation errors of the numerical scheme. The use of B-splines for interpolation (as well as for the trial space) results in a banded and diagonally dominant matrix. The approximate inverse of such a matrix can be provided to a high degree of accuracy by another banded matrix, which in turn can be used to work out the approximate finite difference scheme corresponding to the ASWR finite element method, and further to calculate estimates of the local truncation errors of the numerical scheme. Numerical experiments on six full simulation problems arising in semiconductor process modelling have been carried out. Results show that our proposed strategy is more efficient and better conserves the total mass. 18 refs., 6 figs., 2 tabs
Faria-e-Silva, André L; Piva, Evandro; Moraes, Rafael R
2010-01-01
Objectives: This study evaluated the effect of refrigeration at 4°C and post-refrigeration times (immediate, 5, 10, 15, or 20 min) on the viscosity and conversion kinetics of adhesive bonding resins. Methods: Scotchbond Dual-Cure (3M ESPE) and Clearfil SE Bond (Kuraray) were tested. Control samples were kept at 25°C for 24 h. At each post-refrigeration time, the temperature was checked with a K-type thermocouple. Viscosity measurements as a function of temperature were performed using a cone-plate viscometer. Real-time polymerization was monitored by infrared spectroscopy. Degree of conversion (DC) was calculated for each second during polymerization, and the rate of polymerization analyzed. Data were separately submitted to two-way ANOVA and Tukey’s test (P<.05). Results: Clearfil presented faster increase in temperature after exposure to room temperature than Scotchbond. A continuous decrease in viscosity (Pa.s) was observed for both Scotchbond (0.49, 0.34, 0.30, 0.26, 0.23, 0.23) and Clearfil (0.38, 0.37, 0.34, 0.25, 0.24, 0.22). For Scotchbond, higher final DC was detected for the control (62.7%) compared with the immediate (53.3%) and 5 min (54.7%) groups. For Clearfil, the control sample (81.4%) showed higher DC than all refrigerated groups (68.8–69.5%). Clearfil always showed significantly higher DC than Scotchbond. Conclusions: Refrigeration presented a significant time- and material-dependent effect on the viscosity and polymerization kinetics of the bonding resins. Under clinical conditions, adhesive agents should be removed from the refrigerator at least 20 min before being used. PMID:20396445
Directory of Open Access Journals (Sweden)
Ying Hou
Full Text Available Phenylpyruvic acid (PPA is widely used in the pharmaceutical, food, and chemical industries. Here, a two-step bioconversion process, involving growing and resting cells, was established to produce PPA from l-phenylalanine using the engineered Escherichia coli constructed previously. First, the biotransformation conditions for growing cells were optimized (l-phenylalanine concentration 20.0 g·L-1, temperature 35°C and a two-stage temperature control strategy (keep 20°C for 12 h and increase the temperature to 35°C until the end of biotransformation was performed. The biotransformation conditions for resting cells were then optimized in 3-L bioreactor and the optimized conditions were as follows: agitation speed 500 rpm, aeration rate 1.5 vvm, and l-phenylalanine concentration 30 g·L-1. The total maximal production (mass conversion rate reached 29.8 ± 2.1 g·L-1 (99.3% and 75.1 ± 2.5 g·L-1 (93.9% in the flask and 3-L bioreactor, respectively. Finally, a kinetic model was established, and it was revealed that the substrate and product inhibition were the main limiting factors for resting cell biotransformation.
Hou, Ying; Hossain, Gazi Sakir; Li, Jianghua; Shin, Hyun-Dong; Liu, Long; Du, Guocheng; Chen, Jian
2016-01-01
Phenylpyruvic acid (PPA) is widely used in the pharmaceutical, food, and chemical industries. Here, a two-step bioconversion process, involving growing and resting cells, was established to produce PPA from l-phenylalanine using the engineered Escherichia coli constructed previously. First, the biotransformation conditions for growing cells were optimized (l-phenylalanine concentration 20.0 g·L-1, temperature 35°C) and a two-stage temperature control strategy (keep 20°C for 12 h and increase the temperature to 35°C until the end of biotransformation) was performed. The biotransformation conditions for resting cells were then optimized in 3-L bioreactor and the optimized conditions were as follows: agitation speed 500 rpm, aeration rate 1.5 vvm, and l-phenylalanine concentration 30 g·L-1. The total maximal production (mass conversion rate) reached 29.8 ± 2.1 g·L-1 (99.3%) and 75.1 ± 2.5 g·L-1 (93.9%) in the flask and 3-L bioreactor, respectively. Finally, a kinetic model was established, and it was revealed that the substrate and product inhibition were the main limiting factors for resting cell biotransformation.
Hou, Ying; Hossain, Gazi Sakir; Li, Jianghua; Shin, Hyun-dong; Liu, Long; Du, Guocheng; Chen, Jian
2016-01-01
Phenylpyruvic acid (PPA) is widely used in the pharmaceutical, food, and chemical industries. Here, a two-step bioconversion process, involving growing and resting cells, was established to produce PPA from l-phenylalanine using the engineered Escherichia coli constructed previously. First, the biotransformation conditions for growing cells were optimized (l-phenylalanine concentration 20.0 g·L−1, temperature 35°C) and a two-stage temperature control strategy (keep 20°C for 12 h and increase the temperature to 35°C until the end of biotransformation) was performed. The biotransformation conditions for resting cells were then optimized in 3-L bioreactor and the optimized conditions were as follows: agitation speed 500 rpm, aeration rate 1.5 vvm, and l-phenylalanine concentration 30 g·L−1. The total maximal production (mass conversion rate) reached 29.8 ± 2.1 g·L−1 (99.3%) and 75.1 ± 2.5 g·L−1 (93.9%) in the flask and 3-L bioreactor, respectively. Finally, a kinetic model was established, and it was revealed that the substrate and product inhibition were the main limiting factors for resting cell biotransformation. PMID:27851793
Directory of Open Access Journals (Sweden)
Yi Xu
2017-01-01
Full Text Available Objective. Barefoot technology shoes are becoming increasingly popular, yet modifications are still needed. The present study aims to gain valuable insights by comparing barefoot walking to neutral shoe walking in a healthy youth population. Methods. 28 healthy university students (22 females and 6 males were recruited to walk on a 10-meter walkway both barefoot and in neutral running shoes at their comfortable walking speed. Full step cycle kinematic and kinetic data were collected using an 8-camera motion capture system. Results. In the early stance phase, the knee extension moment (MK1, the first peak absorbed joint power at the knee joint (PK1, and the flexion angle of knee/dorsiflexion angle of the ankle were significantly reduced when walking in neutral running shoes. However, in the late stance, barefoot walking resulted in decreased hip joint flexion moment (MH2, second peak extension knee moment (MK3, hip flexors absorbed power (PH2, hip flexors generated power (PH3, second peak absorbed power by knee flexors (PK2, and second peak anterior-posterior component of joint force at the hip (APFH2, knee (APFK2, and ankle (APFA2. Conclusions. These results indicate that it should be cautious to discard conventional elements from future running shoe designs and rush to embrace the barefoot technology fashion.
Tracer kinetic model-driven registration for dynamic contrast-enhanced MRI time-series data.
Buonaccorsi, Giovanni A; O'Connor, James P B; Caunce, Angela; Roberts, Caleb; Cheung, Sue; Watson, Yvonne; Davies, Karen; Hope, Lynn; Jackson, Alan; Jayson, Gordon C; Parker, Geoffrey J M
2007-11-01
Dynamic contrast-enhanced MRI (DCE-MRI) time series data are subject to unavoidable physiological motion during acquisition (e.g., due to breathing) and this motion causes significant errors when fitting tracer kinetic models to the data, particularly with voxel-by-voxel fitting approaches. Motion correction is problematic, as contrast enhancement introduces new features into postcontrast images and conventional registration similarity measures cannot fully account for the increased image information content. A methodology is presented for tracer kinetic model-driven registration that addresses these problems by explicitly including a model of contrast enhancement in the registration process. The iterative registration procedure is focused on a tumor volume of interest (VOI), employing a three-dimensional (3D) translational transformation that follows only tumor motion. The implementation accurately removes motion corruption in a DCE-MRI software phantom and it is able to reduce model fitting errors and improve localization in 3D parameter maps in patient data sets that were selected for significant motion problems. Sufficient improvement was observed in the modeling results to salvage clinical trial DCE-MRI data sets that would otherwise have to be rejected due to motion corruption. Copyright 2007 Wiley-Liss, Inc.
Kinetic study of time-dependent fixation of U{sup VI} on biochar
Energy Technology Data Exchange (ETDEWEB)
Ashry, A. [Division of Agricultural and Environmental Sciences, School of Biosciences, University of Nottingham, Sutton Bonington, Leicestershire LE12 5RD (United Kingdom); Radiation Protection Department, Nuclear Research Centre, Egyptian Atomic Energy Authority, Cairo (Egypt); Bailey, E.H., E-mail: liz.bailey@nottingham.ac.uk [Division of Agricultural and Environmental Sciences, School of Biosciences, University of Nottingham, Sutton Bonington, Leicestershire LE12 5RD (United Kingdom); Chenery, S.R.N. [British Geological Survey, Nicker Hill, Keyworth, Nottingham NG12 5GG (United Kingdom); Young, S.D. [Division of Agricultural and Environmental Sciences, School of Biosciences, University of Nottingham, Sutton Bonington, Leicestershire LE12 5RD (United Kingdom)
2016-12-15
Biochar, a by-product from the production of biofuel and syngas by gasification, was tested as a material for adsorption and fixation of U{sup VI} from aqueous solutions. A batch experiment was conducted to study the factors that influence the adsorption and time-dependent fixation on biochar at 20 °C, including pH, initial concentration of U{sup VI} and contact time. Uranium (U{sup VI}) adsorption was highly dependent on pH but adsorption on biochar was high over a wide range of pH values, from 4.5 to 9.0, and adsorption strength was time-dependent over several days. The experimental data for pH > 7 were most effectively modelled using a Freundlich adsorption isotherm coupled to a reversible first order kinetic equation to describe the time-dependent fixation of U{sup VI} within the biochar structure. Desorption experiments showed that U{sup VI} was only sparingly desorbable from the biochar with time and isotopic dilution with {sup 233}U{sup VI} confirmed the low, or time-dependent, lability of adsorbed {sup 238}U{sup VI}. Below pH 7 the adsorption isotherm trend suggested precipitation, rather than true adsorption, may occur. However, across all pH values (4.5-9) measured saturation indices suggested precipitation was possible: autunite below pH 6.5 and either swartzite, liebigite or bayleyite above pH 6.5.
International Nuclear Information System (INIS)
Gui Xuewen; Cai Qi; Luo Bangqi
2007-01-01
A two-group three-dimension space-time neutron kinetics model is applied to the RELAP5 code, which replaces the point reactor kinetics model. A visual operation interface is designed to convenience interactive operation between operator and computer. The calculation results and practical applications indicate that the functions and precision of improved RELAP5 are enhanced and can be easily used. The improved RELAP5 has a good application perspective in nuclear power plant simulation. (authors)
Energy Technology Data Exchange (ETDEWEB)
Ferroukhi, H.; Coddington, P
2001-03-01
One of the activities within the STARS project, in the Laboratory for Reactor Physics and System Behaviour; is the development of a coupling methodology between the three-dimensional, space-time kinetics codes CORETRAN and RETRAN-3D in order to perform core and plant transient analyses of the Swiss LWRs. The CORETRAN code is a 3-D full-core simulator, intended to be used for core-related analyses, while RETRAN-3D is the three-dimensional kinetics version of the plant system code RETRAN, and can therefore be used for best-estimate analyses of a wide range of transients in both PWRs and BWRs. Because the neutronics solver in both codes is based on the same kinetics model, one important advantage is that the codes can be coupled so that the initial conditions for a RETRAN-3D plant analysis are generated by a detailed-core, steady-state calculation using CORETRAN. As a first step towards using CORETRAN and RETRAN-3D for kinetic applications, the NEACRP PWR rod ejection benchmark has been analyzed with both codes, and is presented in this paper. The first objective is to verify the consistency between the static and kinetic solutions of the two codes, and so gain confidence in the coupling methodology. The second objective is to assess the CORETRAN and RETRAN-3D solutions for a well-defined RIA transient, comparing with previously published results. In parallel, several sensitivity studies have been performed in an attempt to identify models and calculational options important for a correct analysis of an RIA event in a LWR using these two codes. (author)
Timing of the steps in transformation of C3H 10T1/2 cells by X-irradiation
International Nuclear Information System (INIS)
Kennedy, A.R.; Cairns, J.; Little, J.B.
1984-01-01
Transformation of cells in culture by chemical carcinogens or X-rays seems to require at least two steps. The initial step is a frequent event; for example, after transient exposure to either methylcholanthrene or X-rays. It has been hypothesized that the second step behaves like a spontaneous mutation in having a constant but small probability of occurring each time an initiated cell divides. We show here that the clone size distribution of transformed cells in growing cultures initiated by X-rays, is, indeed, exactly what would be expected on that hypothesis. (author)
De Basabe, Jonás D.
2010-04-01
We investigate the stability of some high-order finite element methods, namely the spectral element method and the interior-penalty discontinuous Galerkin method (IP-DGM), for acoustic or elastic wave propagation that have become increasingly popular in the recent past. We consider the Lax-Wendroff method (LWM) for time stepping and show that it allows for a larger time step than the classical leap-frog finite difference method, with higher-order accuracy. In particular the fourth-order LWM allows for a time step 73 per cent larger than that of the leap-frog method; the computational cost is approximately double per time step, but the larger time step partially compensates for this additional cost. Necessary, but not sufficient, stability conditions are given for the mentioned methods for orders up to 10 in space and time. The stability conditions for IP-DGM are approximately 20 and 60 per cent more restrictive than those for SEM in the acoustic and elastic cases, respectively. © 2010 The Authors Journal compilation © 2010 RAS.
Lee, Eun Seok
2000-10-01
An improved aerodynamics performance of a turbine cascade shape can be achieved by an understanding of the flow-field associated with the stator-rotor interaction. In this research, an axial gas turbine airfoil cascade shape is optimized for improved aerodynamic performance by using an unsteady Navier-Stokes solver and a parallel genetic algorithm. The objective of the research is twofold: (1) to develop a computational fluid dynamics code having faster convergence rate and unsteady flow simulation capabilities, and (2) to optimize a turbine airfoil cascade shape with unsteady passing wakes for improved aerodynamic performance. The computer code solves the Reynolds averaged Navier-Stokes equations. It is based on the explicit, finite difference, Runge-Kutta time marching scheme and the Diagonalized Alternating Direction Implicit (DADI) scheme, with the Baldwin-Lomax algebraic and k-epsilon turbulence modeling. Improvements in the code focused on the cascade shape design capability, convergence acceleration and unsteady formulation. First, the inverse shape design method was implemented in the code to provide the design capability, where a surface transpiration concept was employed as an inverse technique to modify the geometry satisfying the user specified pressure distribution on the airfoil surface. Second, an approximation storage multigrid method was implemented as an acceleration technique. Third, the preconditioning method was adopted to speed up the convergence rate in solving the low Mach number flows. Finally, the implicit dual time stepping method was incorporated in order to simulate the unsteady flow-fields. For the unsteady code validation, the Stokes's 2nd problem and the Poiseuille flow were chosen and compared with the computed results and analytic solutions. To test the code's ability to capture the natural unsteady flow phenomena, vortex shedding past a cylinder and the shock oscillation over a bicircular airfoil were simulated and compared with
Antimicrobial Activities and Time-Kill Kinetics of Extracts of Selected Ghanaian Mushrooms
Directory of Open Access Journals (Sweden)
Theresa Appiah
2017-01-01
Full Text Available The rapid rise of antimicrobial resistance is a worldwide problem. This has necessitated the need to search for new antimicrobial agents. Mushrooms are rich sources of potential antimicrobial agents. This study investigated the antimicrobial properties of methanol extracts of Trametes gibbosa, Trametes elegans, Schizophyllum commune, and Volvariella volvacea. Agar well diffusion, broth microdilution, and time-kill kinetic assays were used to determine the antimicrobial activity of the extracts against selected test organisms. Preliminary mycochemical screening revealed the presence of tannins, flavonoids, triterpenoids, anthraquinones, and alkaloids in the extracts. Methanol extracts of T. gibbosa, T. elegans, S. commune, and V. volvacea showed mean zone of growth inhibition of 10.00±0.0 to 21.50±0.84, 10.00±0.0 to 22.00±1.10, 9.00±0.63 to 21.83±1.17, and 12.00±0.0 to 21.17±1.00 mm, respectively. The minimum inhibitory concentration of methanol extracts of T. gibbosa, T. elegans, S. commune, and V. volvacea ranged from 4.0 to 20, 6.0 to 30.0, 8.0 to 10.0, and 6.0 to 20.0 mg/mL, respectively. Time-kill kinetics studies showed that the extracts possess bacteriostatic action. Methanol extracts of T. gibbosa, T. elegans, S. commune, and V. volvacea exhibited antimicrobial activity and may contain bioactive compounds which may serve as potential antibacterial and antifungal agents.
International Nuclear Information System (INIS)
Wu, Fuke; Tian, Tianhai; Rawlings, James B.; Yin, George
2016-01-01
The frequently used reduction technique is based on the chemical master equation for stochastic chemical kinetics with two-time scales, which yields the modified stochastic simulation algorithm (SSA). For the chemical reaction processes involving a large number of molecular species and reactions, the collection of slow reactions may still include a large number of molecular species and reactions. Consequently, the SSA is still computationally expensive. Because the chemical Langevin equations (CLEs) can effectively work for a large number of molecular species and reactions, this paper develops a reduction method based on the CLE by the stochastic averaging principle developed in the work of Khasminskii and Yin [SIAM J. Appl. Math. 56, 1766–1793 (1996); ibid. 56, 1794–1819 (1996)] to average out the fast-reacting variables. This reduction method leads to a limit averaging system, which is an approximation of the slow reactions. Because in the stochastic chemical kinetics, the CLE is seen as the approximation of the SSA, the limit averaging system can be treated as the approximation of the slow reactions. As an application, we examine the reduction of computation complexity for the gene regulatory networks with two-time scales driven by intrinsic noise. For linear and nonlinear protein production functions, the simulations show that the sample average (expectation) of the limit averaging system is close to that of the slow-reaction process based on the SSA. It demonstrates that the limit averaging system is an efficient approximation of the slow-reaction process in the sense of the weak convergence.
Karsten, Bettina; Baker, Jonathan; Naclerio, Fernando; Klose, Andreas; Bianco, Antonino; Nimmerichter, Alfred
2018-02-01
To investigate single-day time-to-exhaustion (TTE) and time-trial (TT) -based laboratory tests values of critical power (CP), W prime (W'), and respective oxygen-uptake-kinetic responses. Twelve cyclists performed a maximal ramp test followed by 3 TTE and 3 TT efforts interspersed by 60 min recovery between efforts. Oxygen uptake ( V ˙ O 2 ) was measured during all trials. The mean response time was calculated as a description of the overall [Formula: see text]-kinetic response from the onset to 2 min of exercise. TTE-determined CP was 279 ± 52 W, and TT-determined CP was 276 ± 50 W (P = .237). Values of W' were 14.3 ± 3.4 kJ (TTE W') and 16.5 ± 4.2 kJ (TT W') (P = .028). While a high level of agreement (-12 to 17 W) and a low prediction error of 2.7% were established for CP, for W' limits of agreements were markedly lower (-8 to 3.7 kJ), with a prediction error of 18.8%. The mean standard error for TTE CP values was significantly higher than that for TT CP values (2.4% ± 1.9% vs 1.2% ± 0.7% W). The standard errors for TTE W' and TT W' were 11.2% ± 8.1% and 5.6% ± 3.6%, respectively. The [Formula: see text] response was significantly faster during TT (~22 s) than TTE (~28 s). The TT protocol with a 60-min recovery period offers a valid, time-saving, and less error-filled alternative to conventional and more recent testing methods. Results, however, cannot be transferred to W'.
Real-time relaxation and kinetics in hot scalar QED: Landau damping
International Nuclear Information System (INIS)
Boyanovsky, D.; Vega, H.J. de; Holman, R.; Kumar, S.P.; Pisarski, R.D.
1998-01-01
The real time evolution of non-equilibrium expectation values with soft length scales ∼k -1 >(eT) -1 is solved in hot scalar electrodynamics, with a view towards understanding relaxational phenomena in the QGP and the electroweak plasma. We find that the gauge invariant non-equilibrium expectation values relax via power laws to asymptotic amplitudes that are determined by the quasiparticle poles. The long time relaxational dynamics and relevant time scales are determined by the behavior of the retarded self-energy not at the small frequencies, but at the Landau damping thresholds. This explains the presence of power laws and not of exponential decay. In the process we rederive the HTL effective action using non-equilibrium field theory. Furthermore we obtain the influence functional, the Langevin equation and the fluctuation-dissipation theorem for the soft modes, identifying the correlators that emerge in the classical limit. We show that a Markovian approximation fails to describe the dynamics both at short and long times. We find that the distribution function for soft quasiparticles relaxes with a power law through Landau damping. We also introduce a novel kinetic approach that goes beyond the standard Boltzmann equation by incorporating off-shell processes and find that the distribution function for soft quasiparticles relaxes with a power law through Landau damping. We find an unusual dressing dynamics of bare particles and anomalous (logarithmic) relaxation of hard quasiparticles. copyright 1998 The American Physical Society
Sanchez-Salas, Rafael; Olivier, Fabien; Prapotnich, Dominique; Dancausa, José; Fhima, Mehdi; David, Stéphane; Secin, Fernando P; Ingels, Alexandre; Barret, Eric; Galiano, Marc; Rozet, François; Cathelineau, Xavier
2016-01-01
Prostate-specific antigen (PSA) doubling time is relying on an exponential kinetic pattern. This pattern has never been validated in the setting of intermittent androgen deprivation (IAD). Objective is to analyze the prognostic significance for PCa of recurrent patterns in PSA kinetics in patients undergoing IAD. A retrospective study was conducted on 377 patients treated with IAD. On-treatment period (ONTP) consisted of gonadotropin-releasing hormone agonist injections combined with oral androgen receptor antagonist. Off-treatment period (OFTP) began when PSA was lower than 4 ng/ml. ONTP resumed when PSA was higher than 20 ng/ml. PSA values of each OFTP were fitted with three basic patterns: exponential (PSA(t) = λ.e(αt)), linear (PSA(t) = a.t), and power law (PSA(t) = a.t(c)). Univariate and multivariate Cox regression model analyzed predictive factors for oncologic outcomes. Only 45% of the analyzed OFTPs were exponential. Linear and power law PSA kinetics represented 7.5% and 7.7%, respectively. Remaining fraction of analyzed OFTPs (40%) exhibited complex kinetics. Exponential PSA kinetics during the first OFTP was significantly associated with worse oncologic outcome. The estimated 10-year cancer-specific survival (CSS) was 46% for exponential versus 80% for nonexponential PSA kinetics patterns. The corresponding 10-year probability of castration-resistant prostate cancer (CRPC) was 69% and 31% for the two patterns, respectively. Limitations include retrospective design and mixed indications for IAD. PSA kinetic fitted with exponential pattern in approximately half of the OFTPs. First OFTP exponential PSA kinetic was associated with a shorter time to CRPC and worse CSS. © 2015 Wiley Periodicals, Inc.
Welzel, S.; Guaitella, O.; Lazzaroni, C.; Pintassilgo, C.; Rousseau, A.; Röpcke, J.
2011-01-01
Time-resolved quantum cascade laser absorption spectroscopy at 1897 cm-1 (5.27 µm) has been applied to study the NO(X) kinetics on the micro- and millisecond time scale in pulsed low-pressure N2/NO dc discharges. Experiments have been performed under flowing and static gas conditions to infer the
Kinetic study of time-dependent fixation of U"V"I on biochar
International Nuclear Information System (INIS)
Ashry, A.; Bailey, E.H.; Chenery, S.R.N.; Young, S.D.
2016-01-01
Biochar, a by-product from the production of biofuel and syngas by gasification, was tested as a material for adsorption and fixation of U"V"I from aqueous solutions. A batch experiment was conducted to study the factors that influence the adsorption and time-dependent fixation on biochar at 20 °C, including pH, initial concentration of U"V"I and contact time. Uranium (U"V"I) adsorption was highly dependent on pH but adsorption on biochar was high over a wide range of pH values, from 4.5 to 9.0, and adsorption strength was time-dependent over several days. The experimental data for pH > 7 were most effectively modelled using a Freundlich adsorption isotherm coupled to a reversible first order kinetic equation to describe the time-dependent fixation of U"V"I within the biochar structure. Desorption experiments showed that U"V"I was only sparingly desorbable from the biochar with time and isotopic dilution with "2"3"3U"V"I confirmed the low, or time-dependent, lability of adsorbed "2"3"8U"V"I. Below pH 7 the adsorption isotherm trend suggested precipitation, rather than true adsorption, may occur. However, across all pH values (4.5-9) measured saturation indices suggested precipitation was possible: autunite below pH 6.5 and either swartzite, liebigite or bayleyite above pH 6.5.
BIOMAP A Daily Time Step, Mechanistic Model for the Study of Ecosystem Dynamics
Wells, J. R.; Neilson, R. P.; Drapek, R. J.; Pitts, B. S.
2010-12-01
of both climate and ecosystems must be done at coarse grid resolutions; smaller domains require higher resolution for the simulation of natural resource processes at the landscape scale and that of on-the-ground management practices. Via a combined multi-agency and private conservation effort we have implemented a Nested Scale Experiment (NeScE) that ranges from 1/2 degree resolution (global, ca. 50 km) to ca. 8km (North America) and 800 m (conterminous U.S.). Our first DGVM, MC1, has been implemented at all 3 scales. We are just beginning to implement BIOMAP into NeScE, with its unique features, and daily time step, as a counterpoint to MC1. We believe it will be more accurate at all resolutions providing better simulations of vegetation distribution, carbon balance, runoff, fire regimes and drought impacts.
Time resolved diagnostics and kinetic modelling of a modulated hollow cathode discharge of NO2
International Nuclear Information System (INIS)
Castillo, M; Herrero, V J; Mendez, I; Tanarro, I
2004-01-01
The transients associated with the ignition and the extinction of the cold plasma produced in a low frequency, square-wave modulated, hollow cathode discharge of nitrogen dioxide are characterized by time resolved emission spectroscopy, mass spectrometry and electrical probes. The temporal evolution of the concentrations of neutral species created or destroyed in the NO 2 discharges are compared with the predictions of a simple kinetic model previously developed for discharges of other nitrogen oxides (N 2 O and NO). The physical conditions of pressure, gas flow rate, modulation frequency and electrical current in the NO 2 plasma were selected in order to highlight the time-dependent behaviour of some of the stable species formed in the discharge, especially the nitrogen oxide products, whose concentrations show transient maxima. The usefulness of the analysis of the transient results is emphasized as a means to evaluate the relevance of the different elementary processes and as a key to estimate the values of some of the rate constants critical to the modelling. This work is dedicated to the memory of Professor Jose Campos
Effect of ohmic heating of soymilk on urease inactivation and kinetic analysis in holding time.
Li, Fa-De; Chen, Chen; Ren, Jie; Wang, Ranran; Wu, Peng
2015-02-01
To verify the effect of the ohmic heating on the urease activity in the soymilk, the ohmic heating methods with the different electrical field conditions (the frequency and the voltage ranging from 50 to 10 kHz and from 160 to 220 V, respectively) were employed. The results showed that if the value of the urease activity measured with the quantitative spectrophotometry method was lower than 16.8 IU, the urease activity measured with the qualitative method was negative. The urease activity of the sample ohmically heated was significantly lower than that of the sample conventionally heated (P urease inactivation. In addition, the inactivation kinetics of the urease in the soymilk could be described with a biphasic model during holding time at a target temperature. Thus, it was concluded that the urease in the soymilk would contain 2 isoenzymes, one is the thermolabile fraction, the other the thermostable fraction, and that the thermostable isoenzyme could not be completely inactivated when the holding time increased, whether the soymilk was cooked with the conventional method or with the ohmic heating method. Therefore, the electric field had no effect on the inactivation of the thermostable isoenzyme of the urease. © 2015 Institute of Food Technologists®
Directory of Open Access Journals (Sweden)
Tandale Babasaheb V
2008-12-01
Full Text Available Abstract Background Chandipura virus (CHPV, a member of family Rhabdoviridae was attributed to an explosive outbreak of acute encephalitis in children in Andhra Pradesh, India in 2003 and a small outbreak among tribal children from Gujarat, Western India in 2004. The case-fatality rate ranged from 55–75%. Considering the rapid progression of the disease and high mortality, a highly sensitive method for quantifying CHPV RNA by real-time one step reverse transcriptase PCR (real-time one step RT-PCR using TaqMan technology was developed for rapid diagnosis. Methods Primers and probe for P gene were designed and used to standardize real-time one step RT-PCR assay for CHPV RNA quantitation. Standard RNA was prepared by PCR amplification, TA cloning and run off transcription. The optimized real-time one step RT-PCR assay was compared with the diagnostic nested RT-PCR and different virus isolation systems [in vivo (mice in ovo (eggs, in vitro (Vero E6, PS, RD and Sand fly cell line] for the detection of CHPV. Sensitivity and specificity of real-time one step RT-PCR assay was evaluated with diagnostic nested RT-PCR, which is considered as a gold standard. Results Real-time one step RT-PCR was optimized using in vitro transcribed (IVT RNA. Standard curve showed linear relationship for wide range of 102-1010 (r2 = 0.99 with maximum Coefficient of variation (CV = 5.91% for IVT RNA. The newly developed real-time RT-PCR was at par with nested RT-PCR in sensitivity and superior to cell lines and other living systems (embryonated eggs and infant mice used for the isolation of the virus. Detection limit of real-time one step RT-PCR and nested RT-PCR was found to be 1.2 × 100 PFU/ml. RD cells, sand fly cells, infant mice, and embryonated eggs showed almost equal sensitivity (1.2 × 102 PFU/ml. Vero and PS cell-lines (1.2 × 103 PFU/ml were least sensitive to CHPV infection. Specificity of the assay was found to be 100% when RNA from other viruses or healthy
Time-dependent cell disintegration kinetics in lung tumors after irradiation
International Nuclear Information System (INIS)
Chvetsov, Alexei V; Palta, Jatinder J; Nagata, Yasushi
2008-01-01
We study the time-dependent disintegration kinetics of tumor cells that did not survive radiotherapy treatment. To evaluate the cell disintegration rate after irradiation, we studied the volume changes of solitary lung tumors after stereotactic radiotherapy. The analysis is performed using two approximations: (1) tumor volume is a linear function of the total cell number in the tumor and (2) the cell disintegration rate is governed by the exponential decay with constant risk, which is defined by the initial cell number and a half-life T 1/2 . The half-life T 1/2 is determined using the least-squares fit to the clinical data on lung tumor size variation with time after stereotactic radiotherapy. We show that the tumor volume variation after stereotactic radiotherapy of solitary lung tumors can be approximated by an exponential function. A small constant component in the volume variation does not change with time; however, this component may be the residual irregular density due to radiation fibrosis and was, therefore, subtracted from the total volume variation in our computations. Using computerized fitting of the exponent function to the clinical data for selected patients, we have determined that the average half-life T 1/2 of cell disintegration is 28.2 days for squamous cell carcinoma and 72.4 days for adenocarcinoma. This model is needed for simulating the tumor volume variation during radiotherapy, which may be important for time-dependent treatment planning of proton therapy that is sensitive to density variations
Artifacts in measuring aerosol uptake kinetics: the roles of time, concentration and adsorption
Directory of Open Access Journals (Sweden)
L. H. Renbaum
2011-07-01
Full Text Available In laboratory studies of organic aerosol particles reacting with gas-phase oxidants, high concentrations of radicals are often used to study on the timescale of seconds reactions which may be occurring over days or weeks in the troposphere. Implicit in this approach is the assumption that radical concentration and time are interchangeable parameters, though this has not been established. Here, the kinetics of OH- and Cl-initiated oxidation reactions of model single-component liquid (squalane and supercooled (brassidic acid and 2-octyldodecanoic acid organic aerosols are studied by varying separately the radical concentration and the reaction time. Two separate flow tubes with residence times of 2 and 66 s are used, and [OH] and [Cl] are varied by adjusting either the laser photolysis fluence or the radical precursor concentration ([O_{3}] or [Cl_{2}], respectively used to generate the radicals. It is found that the rates measured by varying the radical concentration and the reaction time are equal only if the precursor concentrations are the same in the two approaches. Further, the rates depend on the concentrations of the precursor species with a Langmuir-type functional form suggesting that O_{3} and Cl_{2} saturate the surface of the liquid particles. It is believed that the presence of O_{3} inhibits the rate of OH reaction, perhaps by reacting with OH radicals or by O_{3} or intermediate species blocking surface sites, while Cl_{2} enhances the rate of Cl reaction by participating in a radical chain mechanism. These results have important implications for laboratory experiments in which high concentrations of gas-phase oxidants are used to study atmospheric reactions over short timescales and may explain the variability in recent measurements of the reactive uptake of OH on squalane particles in reactor systems used in this and other laboratories.
Time-dependent cell disintegration kinetics in lung tumors after irradiation
Energy Technology Data Exchange (ETDEWEB)
Chvetsov, Alexei V; Palta, Jatinder J [Department of Radiation Oncology, University of Florida, Gainesville, FL (United States); Nagata, Yasushi [Department of Therapeutic Radiology and Oncology, Kyoto University, Kyoto (Japan)], E-mail: chvetsov@ufl.edu
2008-05-07
We study the time-dependent disintegration kinetics of tumor cells that did not survive radiotherapy treatment. To evaluate the cell disintegration rate after irradiation, we studied the volume changes of solitary lung tumors after stereotactic radiotherapy. The analysis is performed using two approximations: (1) tumor volume is a linear function of the total cell number in the tumor and (2) the cell disintegration rate is governed by the exponential decay with constant risk, which is defined by the initial cell number and a half-life T{sub 1/2}. The half-life T{sub 1/2} is determined using the least-squares fit to the clinical data on lung tumor size variation with time after stereotactic radiotherapy. We show that the tumor volume variation after stereotactic radiotherapy of solitary lung tumors can be approximated by an exponential function. A small constant component in the volume variation does not change with time; however, this component may be the residual irregular density due to radiation fibrosis and was, therefore, subtracted from the total volume variation in our computations. Using computerized fitting of the exponent function to the clinical data for selected patients, we have determined that the average half-life T{sub 1/2} of cell disintegration is 28.2 days for squamous cell carcinoma and 72.4 days for adenocarcinoma. This model is needed for simulating the tumor volume variation during radiotherapy, which may be important for time-dependent treatment planning of proton therapy that is sensitive to density variations.
Comparing an Annual and a Daily Time-Step Model for Predicting Field-Scale Phosphorus Loss.
Bolster, Carl H; Forsberg, Adam; Mittelstet, Aaron; Radcliffe, David E; Storm, Daniel; Ramirez-Avila, John; Sharpley, Andrew N; Osmond, Deanna
2017-11-01
A wide range of mathematical models are available for predicting phosphorus (P) losses from agricultural fields, ranging from simple, empirically based annual time-step models to more complex, process-based daily time-step models. In this study, we compare field-scale P-loss predictions between the Annual P Loss Estimator (APLE), an empirically based annual time-step model, and the Texas Best Management Practice Evaluation Tool (TBET), a process-based daily time-step model based on the Soil and Water Assessment Tool. We first compared predictions of field-scale P loss from both models using field and land management data collected from 11 research sites throughout the southern United States. We then compared predictions of P loss from both models with measured P-loss data from these sites. We observed a strong and statistically significant ( loss between the two models; however, APLE predicted, on average, 44% greater dissolved P loss, whereas TBET predicted, on average, 105% greater particulate P loss for the conditions simulated in our study. When we compared model predictions with measured P-loss data, neither model consistently outperformed the other, indicating that more complex models do not necessarily produce better predictions of field-scale P loss. Our results also highlight limitations with both models and the need for continued efforts to improve their accuracy. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.
Pijnappels, M.A.G.M.; Delbaere, K.; Sturnieks, D.L.; Lord, S.R.
2010-01-01
Background: choice stepping reaction time (CSRT) is a functional measure that has been shown to significantly discriminate older fallers from non-fallers. Objective: to investigate how physiological and cognitive factors mediate the association between CSRT performance and multiple falls by use of
Chu, Chunlei; Stoffa, Paul L.; Seif, Roustam
2009-01-01
We present two Lax‐Wendroff type high‐order time stepping schemes and apply them to solving the 3D elastic wave equation. The proposed schemes have the same format as the Taylor series expansion based schemes, only with modified temporal extrapolation coefficients. We demonstrate by both theoretical analysis and numerical examples that the modified schemes significantly improve the stability conditions.
Iteratively improving Hi-C experiments one step at a time.
Golloshi, Rosela; Sanders, Jacob T; McCord, Rachel Patton
2018-04-30
The 3D organization of eukaryotic chromosomes affects key processes such as gene expression, DNA replication, cell division, and response to DNA damage. The genome-wide chromosome conformation capture (Hi-C) approach can characterize the landscape of 3D genome organization by measuring interaction frequencies between all genomic regions. Hi-C protocol improvements and rapid advances in DNA sequencing power have made Hi-C useful to study diverse biological systems, not only to elucidate the role of 3D genome structure in proper cellular function, but also to characterize genomic rearrangements, assemble new genomes, and consider chromatin interactions as potential biomarkers for diseases. Yet, the Hi-C protocol is still complex and subject to variations at numerous steps that can affect the resulting data. Thus, there is still a need for better understanding and control of factors that contribute to Hi-C experiment success and data quality. Here, we evaluate recently proposed Hi-C protocol modifications as well as often overlooked variables in sample preparation and examine their effects on Hi-C data quality. We examine artifacts that can occur during Hi-C library preparation, including microhomology-based artificial template copying and chimera formation that can add noise to the downstream data. Exploring the mechanisms underlying Hi-C artifacts pinpoints steps that should be further optimized in the future. To improve the utility of Hi-C in characterizing the 3D genome of specialized populations of cells or small samples of primary tissue, we identify steps prone to DNA loss which should be considered to adapt Hi-C to lower cell numbers. Copyright © 2018 Elsevier Inc. All rights reserved.
Seven steps to raise world security. Op-Ed, published in the Finanical Times
International Nuclear Information System (INIS)
ElBaradei, M.
2005-01-01
In recent years, three phenomena have radically altered the security landscape. They are the emergence of a nuclear black market, the determined efforts by more countries to acquire technology to produce the fissile material usable in nuclear weapons and the clear desire of terrorists to acquire weapons of mass destruction. The IAEA has been trying to solve these new problems with existing tools. But for every step forward, we have exposed vulnerabilities in the system. The system itself - the regime that implements non-proliferation treaty needs reinforcement. Some of the necessary remedies can be taken in New York at the Meeting to be held in May, but only if governments are ready to act. With seven straightforward steps, and without amending the treaty, this conference could reach a milestone in strengthening world security. The first step: put a five-year hold on additional facilities for uranium enrichment and plutonium separation. Second, speed up existing efforts, led by the US global threat reduction initiative and others, to modify the research reactors worldwide operating with highly enriched uranium - particularly those with metal fuel that could be readily employed as bomb material. Third, raise the bar for inspection standards by establishing the 'additional protocol' as the norm for verifying compliance with the NPT. Fourth, call on the United Nations Security Council to act swiftly and decisively in the case of any country that withdraws from the NPT, in terms of the threat the withdrawal poses to international peace and security. Fifth, urge states to act on the Security Council's recent resolution 1540, to pursue and prosecute any illicit trading in nuclear material and technology. Sixth, call on the five nuclear weapon states party to the NPT to accelerate implementation of their 'unequivocal commitment' to nuclear disarmament, building on efforts such as the 2002 Moscow treaty between Russia and the US. Last, acknowledge the volatility of
International Nuclear Information System (INIS)
Meyer, Chad D.; Balsara, Dinshaw S.; Aslam, Tariq D.
2014-01-01
Parabolic partial differential equations appear in several physical problems, including problems that have a dominant hyperbolic part coupled to a sub-dominant parabolic component. Explicit methods for their solution are easy to implement but have very restrictive time step constraints. Implicit solution methods can be unconditionally stable but have the disadvantage of being computationally costly or difficult to implement. Super-time-stepping methods for treating parabolic terms in mixed type partial differential equations occupy an intermediate position. In such methods each superstep takes “s” explicit Runge–Kutta-like time-steps to advance the parabolic terms by a time-step that is s 2 times larger than a single explicit time-step. The expanded stability is usually obtained by mapping the short recursion relation of the explicit Runge–Kutta scheme to the recursion relation of some well-known, stable polynomial. Prior work has built temporally first- and second-order accurate super-time-stepping methods around the recursion relation associated with Chebyshev polynomials. Since their stability is based on the boundedness of the Chebyshev polynomials, these methods have been called RKC1 and RKC2. In this work we build temporally first- and second-order accurate super-time-stepping methods around the recursion relation associated with Legendre polynomials. We call these methods RKL1 and RKL2. The RKL1 method is first-order accurate in time; the RKL2 method is second-order accurate in time. We verify that the newly-designed RKL1 and RKL2 schemes have a very desirable monotonicity preserving property for one-dimensional problems – a solution that is monotone at the beginning of a time step retains that property at the end of that time step. It is shown that RKL1 and RKL2 methods are stable for all values of the diffusion coefficient up to the maximum value. We call this a convex monotonicity preserving property and show by examples that it is very useful
AlRamadan, Abdullah S.
2015-10-01
The demand for fuels with high anti-knock quality has historically been rising, and will continue to increase with the development of downsized and turbocharged spark-ignition engines. Butanol isomers, such as 2-butanol and tert-butanol, have high octane ratings (RON of 105 and 107, respectively), and thus mixed butanols (68.8% by volume of 2-butanol and 31.2% by volume of tert-butanol) can be added to the conventional petroleum-derived gasoline fuels to improve octane performance. In the present work, the effect of mixed butanols addition to gasoline surrogates has been investigated in a high-pressure shock tube facility. The ignition delay times of mixed butanols stoichiometric mixtures were measured at 20 and 40bar over a temperature range of 800-1200K. Next, 10vol% and 20vol% of mixed butanols (MB) were blended with two different toluene/n-heptane/iso-octane (TPRF) fuel blends having octane ratings of RON 90/MON 81.7 and RON 84.6/MON 79.3. These MB/TPRF mixtures were investigated in the shock tube conditions similar to those mentioned above. A chemical kinetic model was developed to simulate the low- and high-temperature oxidation of mixed butanols and MB/TPRF blends. The proposed model is in good agreement with the experimental data with some deviations at low temperatures. The effect of mixed butanols addition to TPRFs is marginal when examining the ignition delay times at high temperatures. However, when extended to lower temperatures (T < 850K), the model shows that the mixed butanols addition to TPRFs causes the ignition delay times to increase and hence behaves like an octane booster at engine-like conditions. © 2015 The Combustion Institute.
Shock tube/time-of-flight mass spectrometer for high temperature kinetic studies
International Nuclear Information System (INIS)
Tranter, Robert S.; Giri, Binod R.; Kiefer, John H.
2007-01-01
A shock tube (ST) with online, time-of-flight mass spectrometric (TOF-MS) detection has been constructed for the study of elementary reactions at high temperature. The ST and TOF-MS are coupled by a differentially pumped molecular beam sampling interface, which ensures that the samples entering the TOF-MS are not contaminated by gases drawn from the cold end wall thermal boundary layer in the ST. Additionally, the interface allows a large range of postshock pressures to be used in the shock tube while maintaining high vacuum in the TOF-MS. The apparatus and the details of the sampling system are described along with an analysis in which cooling of the sampled gases and minimization of thermal boundary layer effects are discussed. The accuracy of kinetic measurements made with the apparatus has been tested by investigating the thermal unimolecular dissociation of cyclohexene to ethylene and 1,3-butadiene, a well characterized reaction for which considerable literature data that are in good agreement exist. The experiments were performed at nominal reflected shock wave pressures of 600 and 1300 Torr, and temperatures ranging from 1260 to 1430 K. The rate coefficients obtained are compared with the earlier shock tube studies and are found to be in very good agreement. As expected no significant difference is observed in the rate constant between pressures of 600 and 1300 Torr
AIREK-MOD, Time Dependent Reactor Kinetics with Feedback Differential Equation
International Nuclear Information System (INIS)
Tamagnini, C.
1984-01-01
1 - Nature of physical problem solved: Solves the reactor kinetic equations with respect to time. A standard form for the reactivity behaviour has been introduced in which the reactivity is given by the sum of a polynomial, sine, cosine and exponential expansion. Tabular form is also included. The presence of feedback differential equations in which the dependence on variables different from the considered one is considered enables many heat-exchange problems to be dealt with. 2 - Method of solution: The method employed for the solution of the differential equations is the one developed by E.R. Cohen (Geneva Conference, 1958). 3 - Restrictions on the complexity of the problem: The maximum number of differential equations that can be solved simultaneously is 50. Within this limitation there may be n delayed neutron groups (n less than or equal to 25), on m other linear feedback equations (n+m less than or equal to 49). CDC 1604 version was offered by EIR (Institut Federal de Recherches en matiere de reacteurs, Switzerland)
Three-step management of pneumothorax: time for a re-think on initial management†
Kaneda, Hiroyuki; Nakano, Takahito; Taniguchi, Yohei; Saito, Tomohito; Konobu, Toshifumi; Saito, Yukihito
2013-01-01
Pneumothorax is a common disease worldwide, but surprisingly, its initial management remains controversial. There are some published guidelines for the management of spontaneous pneumothorax. However, they differ in some respects, particularly in initial management. In published trials, the objective of treatment has not been clarified and it is not possible to compare the treatment strategies between different trials because of inappropriate evaluations of the air leak. Therefore, there is a need to outline the optimal management strategy for pneumothorax. In this report, we systematically review published randomized controlled trials of the different treatments of primary spontaneous pneumothorax, point out controversial issues and finally propose a three-step strategy for the management of pneumothorax. There are three important characteristics of pneumothorax: potentially lethal respiratory dysfunction; air leak, which is the obvious cause of the disease; frequent recurrence. These three characteristics correspond to the three steps. The central idea of the strategy is that the lung should not be expanded rapidly, unless absolutely necessary. The primary objective of both simple aspiration and chest drainage should be the recovery of acute respiratory dysfunction or the avoidance of respiratory dysfunction and subsequent complications. We believe that this management strategy is simple and clinically relevant and not dependent on the classification of pneumothorax. PMID:23117233
Time resolved spectroscopic investigation of SiD2 + D2: kinetic study
Al-Rubaiey, Najem A.; Walsh, Robin
2017-03-01
Silylenes (silanediyls) have made an important impact on organosilicon chemistry even if it is of more recent foundation than carbenes in organic chemistry and much less complete. These species are highly reactive intermediates. They play a central role in the chemical vapour deposition (CVD) of various silicon-containing thin films which have a technological importance in microelectronics as well as in the dry etching processes of silicon wafers. Spectroscopic methods have been developed to observe these species, a necessary pre-requisite to their direct monitoring. In this work, deuterated phenylsilane precursor, PhSiD3 was chosen for SiD2 because its analogue phenylsilane, PhSiH3 proved to be a good precursor for SiH2 and the high quality decay signals observed revealed that SiD2 be readily detected from PhSiD3 and that if other decomposition pathways (e.g. PhSiD + D2) are occurring, they do not effect measurements of the rate constants for SiD2. The absorption spectrum of SiD2 formed from the flash photolysis of a mixture of PhSiD3 and SF6 at 193nm were found in the region 17384-17391 cm-1 with strong band at 17387.07 cm-1. This single rotational line of pQ1 was chosen to monitor SiD2 removal. Time-resolved studies of SiD2 have been carried out to obtain rate constants for its bimolecular reactions with D2. The reactions were studied over the pressure range 5-100 Torr (in SF6 bath gas) at four temperatures in the range 298-498K. Single decay from 10 photolysis laser shots were averaged and found to give reasonable first-order kinetics fits. Second order kinetics were obtained by pressure dependence of the pseudo first order decay constants and substance D2 pressures within experimental error. The reaction was found to be weakly pressure dependent at all temperatures, consistent with a third-body mediated association process. In addition, SiH2+ H2 reaction is approximately ca. 60% faster than SiD2+D2 reaction. Theoretical extrapolations (using Lindemann
Time resolved spectroscopic investigation of SiD2 + D2: kinetic study
Directory of Open Access Journals (Sweden)
Al-Rubaiey Najem A.
2017-01-01
Full Text Available Silylenes (silanediyls have made an important impact on organosilicon chemistry even if it is of more recent foundation than carbenes in organic chemistry and much less complete. These species are highly reactive intermediates. They play a central role in the chemical vapour deposition (CVD of various silicon-containing thin films which have a technological importance in microelectronics as well as in the dry etching processes of silicon wafers. Spectroscopic methods have been developed to observe these species, a necessary pre-requisite to their direct monitoring. In this work, deuterated phenylsilane precursor, PhSiD3 was chosen for SiD2 because its analogue phenylsilane, PhSiH3 proved to be a good precursor for SiH2 and the high quality decay signals observed revealed that SiD2 be readily detected from PhSiD3 and that if other decomposition pathways (e.g. PhSiD + D2 are occurring, they do not effect measurements of the rate constants for SiD2. The absorption spectrum of SiD2 formed from the flash photolysis of a mixture of PhSiD3 and SF6 at 193nm were found in the region 17384-17391 cm-1 with strong band at 17387.07 cm-1. This single rotational line of pQ1 was chosen to monitor SiD2 removal. Time-resolved studies of SiD2 have been carried out to obtain rate constants for its bimolecular reactions with D2. The reactions were studied over the pressure range 5-100 Torr (in SF6 bath gas at four temperatures in the range 298-498K. Single decay from 10 photolysis laser shots were averaged and found to give reasonable first-order kinetics fits. Second order kinetics were obtained by pressure dependence of the pseudo first order decay constants and substance D2 pressures within experimental error. The reaction was found to be weakly pressure dependent at all temperatures, consistent with a third-body mediated association process. In addition, SiH2+ H2 reaction is approximately ca. 60% faster than SiD2+D2 reaction. Theoretical extrapolations (using
International Nuclear Information System (INIS)
Kim, Song Hyun; Woo, Myeong Hyun; Shin, Chang Ho; Pyeon, Cheol Ho
2015-01-01
In this study, a new balance equation to overcome the problems generated by the previous methods is proposed using source-based balance equation. And then, a simple problem is analyzed with the proposed method. In this study, a source-based balance equation with the time dependent fission kernel was derived to simplify the kinetics equation. To analyze the partial variations of reactor characteristics, two representative methods were introduced in previous studies; (1) quasi-statics method and (2) multipoint technique. The main idea of quasistatics method is to use a low-order approximation for large integration times. To realize the quasi-statics method, first, time dependent flux is separated into the shape and amplitude functions, and shape function is calculated. It is noted that the method has a good accuracy; however, it can be expensive as a calculation cost aspect because the shape function should be fully recalculated to obtain accurate results. To improve the calculation efficiency, multipoint method was proposed. The multipoint method is based on the classic kinetics equation with using Green's function to analyze the flight probability from region r' to r. Those previous methods have been used to analyze the reactor kinetics analysis; however, the previous methods can have some limitations. First, three group variables (r g , E g , t g ) should be considered to solve the time dependent balance equation. This leads a big limitation to apply large system problem with good accuracy. Second, the energy group neutrons should be used to analyze reactor kinetics problems. In time dependent problem, neutron energy distribution can be changed at different time. It can affect the change of the group cross section; therefore, it can lead the accuracy problem. Third, the neutrons in a space-time region continually affect the other space-time regions; however, it is not properly considered in the previous method. Using birth history of the neutron sources
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Kim, Song Hyun; Woo, Myeong Hyun; Shin, Chang Ho [Hanyang University, Seoul (Korea, Republic of); Pyeon, Cheol Ho [Kyoto University, Osaka (Japan)
2015-10-15
In this study, a new balance equation to overcome the problems generated by the previous methods is proposed using source-based balance equation. And then, a simple problem is analyzed with the proposed method. In this study, a source-based balance equation with the time dependent fission kernel was derived to simplify the kinetics equation. To analyze the partial variations of reactor characteristics, two representative methods were introduced in previous studies; (1) quasi-statics method and (2) multipoint technique. The main idea of quasistatics method is to use a low-order approximation for large integration times. To realize the quasi-statics method, first, time dependent flux is separated into the shape and amplitude functions, and shape function is calculated. It is noted that the method has a good accuracy; however, it can be expensive as a calculation cost aspect because the shape function should be fully recalculated to obtain accurate results. To improve the calculation efficiency, multipoint method was proposed. The multipoint method is based on the classic kinetics equation with using Green's function to analyze the flight probability from region r' to r. Those previous methods have been used to analyze the reactor kinetics analysis; however, the previous methods can have some limitations. First, three group variables (r{sub g}, E{sub g}, t{sub g}) should be considered to solve the time dependent balance equation. This leads a big limitation to apply large system problem with good accuracy. Second, the energy group neutrons should be used to analyze reactor kinetics problems. In time dependent problem, neutron energy distribution can be changed at different time. It can affect the change of the group cross section; therefore, it can lead the accuracy problem. Third, the neutrons in a space-time region continually affect the other space-time regions; however, it is not properly considered in the previous method. Using birth history of the
International Nuclear Information System (INIS)
Elberling, B.; Nicholson, R.V.; Scharer, J.M.
1994-01-01
Acidic drainage from the oxidation of mine tailing wastes is an important environmental problem. The purpose of this paper is to develop a model (1) to simulate the rate of oxidation of pyrite over time, (2) to verify the importance of chemical kinetic control and diffusion control on the oxidation rate with time and, (3) to evaluate the sensitivity of the model to critical parameters of the tailings, such as grain size, pyrite content and the effective diffusion coefficient. The source code comprises four main modules including parameter allocation (kinetics, transport), sulphide oxidation (shrinking particle), oxygen transport and pyrite mass balance. The results show that high oxidation rates are observed in the initial time after tailings deposition. During this initial period of high rates, an apparent shift occurs from kinetic to diffusional control over a period of time that depends on the composition and properties of the tailings. Based on the simulation results, it is evident that the overall rate of oxidation after a few years will be controlled dominantly by the diffusion of oxygen rather than by biological or non-biological kinetics in the tailings
Roelofsen, Johan; Alvarez Llamas, Gloria; Dijkstra, Martijn; Breitling, Rainer; Havenga, Klaas; Bijzet, Johannes; Zandbergen, Wouter; de Vries, Marcel; Ploeg, Rutger J.; Vonk, Roel J.
Analyses of intricate kinetics of the serum proteome during and after colon surgery by protein expression time series.Roelofsen H, Alvarez-Llamas G, Dijkstra M, Breitling R, Havenga K, Bijzet J, Zandbergen W, de Vries MP, Ploeg RJ, Vonk RJ. Centre for Medical Biomics, University Medical Centre
Koole, R.; Schapotschnikow, P.Z.; de Mello Donega, C.; Vlugt, T.J.H.; Meijerink, A.
2008-01-01
The exchange kinetics of native ligands that passivate CdSe quantum dots (hexadecylamine (HDA), trioctylphosphine oxide (TOPO), and trioctylphosphine (TOP)) by thiols is followed in situ. This is realized by measuring, in real-time, the decrease in emission intensity of the QDs upon addition of
Culyba, Matthew J; Kubiak, Jeffrey M; Mo, Charlie Y; Goulian, Mark; Kohli, Rahul M
2018-06-01
Biochemical pathways are often genetically encoded as simple transcription regulation networks, where one transcription factor regulates the expression of multiple genes in a pathway. The relative timing of each promoter's activation and shut-off within the network can impact physiology. In the DNA damage repair pathway (known as the SOS response) of Escherichia coli, approximately 40 genes are regulated by the LexA repressor. After a DNA damaging event, LexA degradation triggers SOS gene transcription, which is temporally separated into subsets of 'early', 'middle', and 'late' genes. Although this feature plays an important role in regulating the SOS response, both the range of this separation and its underlying mechanism are not experimentally defined. Here we show that, at low doses of DNA damage, the timing of promoter activities is not separated. Instead, timing differences only emerge at higher levels of DNA damage and increase as a function of DNA damage dose. To understand mechanism, we derived a series of synthetic SOS gene promoters which vary in LexA-operator binding kinetics, but are otherwise identical, and then studied their activity over a large dose-range of DNA damage. In distinction to established models based on rapid equilibrium assumptions, the data best fit a kinetic model of repressor occupancy at promoters, where the drop in cellular LexA levels associated with higher doses of DNA damage leads to non-equilibrium binding kinetics of LexA at operators. Operators with slow LexA binding kinetics achieve their minimal occupancy state at later times than operators with fast binding kinetics, resulting in a time separation of peak promoter activity between genes. These data provide insight into this remarkable feature of the SOS pathway by demonstrating how a single transcription factor can be employed to control the relative timing of each gene's transcription as a function of stimulus dose.
Modeling Stepped Leaders Using a Time Dependent Multi-dipole Model and High-speed Video Data
Karunarathne, S.; Marshall, T.; Stolzenburg, M.; Warner, T. A.; Orville, R. E.
2012-12-01
In summer of 2011, we collected lightning data with 10 stations of electric field change meters (bandwidth of 0.16 Hz - 2.6 MHz) on and around NASA/Kennedy Space Center (KSC) covering nearly 70 km × 100 km area. We also had a high-speed video (HSV) camera recording 50,000 images per second collocated with one of the electric field change meters. In this presentation we describe our use of these data to model the electric field change caused by stepped leaders. Stepped leaders of a cloud to ground lightning flash typically create the initial path for the first return stroke (RS). Most of the time, stepped leaders have multiple complex branches, and one of these branches will create the ground connection for the RS to start. HSV data acquired with a short focal length lens at ranges of 5-25 km from the flash are useful for obtaining the 2-D location of these multiple branches developing at the same time. Using HSV data along with data from the KSC Lightning Detection and Ranging (LDAR2) system and the Cloud to Ground Lightning Surveillance System (CGLSS), the 3D path of a leader may be estimated. Once the path of a stepped leader is obtained, the time dependent multi-dipole model [ Lu, Winn,and Sonnenfeld, JGR 2011] can be used to match the electric field change at various sensor locations. Based on this model, we will present the time-dependent charge distribution along a leader channel and the total charge transfer during the stepped leader phase.
International Nuclear Information System (INIS)
Kim, Tae Gyoum; Jang, Jin-Tak; Ryu, Hyukhyun; Lee, Won-Jae
2013-01-01
Highlights: •We grew vertical ZnO nanorods on ITO substrate using a two-step continuous potential process. •The nucleation for the ZnO nanorods growth was changed by first-step potential and duration. •The vertical ZnO nanorods were well grown when first-step potential was −1.2 V and 10 s. -- Abstract: In this study, we analyzed the growth of ZnO nanorods on an ITO (indium doped tin oxide) substrate by electrochemical deposition using a two-step, continuous potential process. We examined the effect of changing the first-step potential as well as the first-step duration on the morphological, structural and optical properties of ZnO nanorods, measured via using field emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD) and photoluminescence (PL), respectively. As a result, vertical ZnO nanorods were grown on ITO substrate without the need for a template when the first-step potential was set to −1.2 V for a duration of 10 s, and the second-step potential was set to −0.7 V for a duration of 1190 s. The ZnO nanorods on this sample showed the highest XRD (0 0 2)/(1 0 0) peak intensity ratio and the highest PL near band edge emission to deep level emission peak intensity ratio (NBE/DLE). In this study, the nucleation for vertical ZnO nanorod growth on an ITO substrate was found to be affected by changes in the first-step potential and first-step duration
Kouza, Maksim; Co, Nguyen Truong; Li, Mai Suan; Kmiecik, Sebastian; Kolinski, Andrzej; Kloczkowski, Andrzej; Buhimschi, Irina Alexandra
2018-06-01
Fibril formation resulting from protein misfolding and aggregation is a hallmark of several neurodegenerative diseases such as Alzheimer's and Parkinson's diseases. Despite much progress in the understanding of the protein aggregation process, the factors governing fibril formation rates and fibril stability have not been fully understood. Using lattice models, we have shown that the fibril formation time is controlled by the kinetic stability of the fibril state but not by its energy. Having performed all-atom explicit solvent molecular dynamics simulations with the GROMOS43a1 force field for full-length amyloid beta peptides Aβ40 and Aβ42 and truncated peptides, we demonstrated that kinetic stability can be accessed via mechanical stability in such a way that the higher the mechanical stability or the kinetic stability, the faster the fibril formation. This result opens up a new way for predicting fibril formation rates based on mechanical stability that may be easily estimated by steered molecular dynamics.
Using Variable Dwell Time to Accelerate Gaze-based Web Browsing with Two-step Selection
Chen, Zhaokang; Shi, Bertram E.
2017-01-01
In order to avoid the "Midas Touch" problem, gaze-based interfaces for selection often introduce a dwell time: a fixed amount of time the user must fixate upon an object before it is selected. Past interfaces have used a uniform dwell time across all objects. Here, we propose an algorithm for adjusting the dwell times of different objects based on the inferred probability that the user intends to select them. In particular, we introduce a probabilistic model of natural gaze behavior while sur...
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Silva, Milena Wollmann da
2013-01-01
In this work, we report a genuine analytical representation for the solution of the neutron point kinetics equation free of the stiffness character, assuming that the reactivity is a continuous and sectionally continuous function of time. To this end, we initially cast the point kinetics equation in a first order linear differential equation. Next, we split the corresponding matrix as a sum of a diagonal matrix with a matrix, whose components contain the off-diagonal elements. Next, expanding the neutron density and the delayed neutron precursors concentrations in a truncated series, and replacing these expansions in the matrix equation, we come out with an equation, which allows to construct a recursive system, a first order matrix differential equation with source. The fundamental characteristic of this system relies on the fact that the corresponding matrix is diagonal, meanwhile the source term is written in terms of the matrix with the off-diagonal components. Further, the first equation of the recursive system has no source and satisfies the initial conditions. On the other hand, the remaining equations satisfy the null initial condition. Due to the diagonal feature of the matrix, we attain analytical solutions for these recursive equations. We also mention that we evaluate the results for any time value, without the analytical continuity because the purposed solution is free on the stiffness character. Finally, we present numerical simulations and comparisons against literature results, considering specific the applications for the following reactivity functions: constant, step, ramp, and sine. (author)
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Petersen, Claudio Z. [Universidade Federal de Pelotas, Capao do Leao (Brazil). Programa de Pos Graduacao em Modelagem Matematica; Bodmann, Bardo E.J.; Vilhena, Marco T. [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-graduacao em Engenharia Mecanica; Barros, Ricardo C. [Universidade do Estado do Rio de Janeiro, Nova Friburgo, RJ (Brazil). Inst. Politecnico
2014-12-15
In the present work we solve in analytical representation the three dimensional neutron kinetic diffusion problem in rectangular Cartesian geometry for homogeneous and bounded domains for any number of energy groups and precursor concentrations. The solution in analytical representation is constructed using a hierarchical procedure, i.e. the original problem is reduced to a problem previously solved by the authors making use of a combination of the spectral method and a recursive decomposition approach. Time dependent absorption cross sections of the thermal energy group are considered with step, ramp and Chebyshev polynomial variations. For these three cases, we present numerical results and discuss convergence properties and compare our results to those available in the literature.
Ngo Mback, M N L; Agnaniet, H; Nguimatsia, F; Jazet Dongmo, P-M; Hzounda Fokou, J-B; Bakarnga-Via, I; Fekam Boyom, F; Menut, C
2016-09-01
The limitations encountered in the management of fungal infections are due to the resistance, high toxicity, and overuse of conventional antifungal drugs. For bringing solutions, the antifungal activity of Aeollanthus heliotropioides essential oil will be evaluated and optimized. The aerial parts of A. heliotropioides were harvested and essential oil extracted by hydrodistillation. The chemical composition was determined using gas chromatography and gas chromatography coupled with mass spectrometry and nuclear magnetic resonance. The sensitivity of fungal strains was determined using broth microdilution method. The fungicidal parameters were checked by viability assay using methylene blue dye. The Fractional Inhibitory Concentration Index was determined according the two-dimensional checkboard methods. The efficiency of the simulated optimum concentrations confirmed experimentally on American type culture collection strains, through the Time Kill Kinetic Study. The yield of extraction of essential oil was 0.1%. The major compounds were linalool (38.5%), Z-α-farnesene (25.1%), 9-hexa-decen-1-ol (13.9%) saturated/unsaturated massoia and γ-lactones (4.5%). The MIC of extract on yeast isolates ranged from 0.6mg/mL to 5mg/mL. The combination of essential oil with thymol leads mainly to synergistic effects (0.5≤FICI). The optimums of essential oil (1.6±0.4μl/mL) and thymol (0.6±0.1mg/mL) revealed a total inhibition of yeast after 120 and 180minutes according to the yeasts strains used. This study highlights the in vitro antifungal activity of A. heliotropioides essential oil and it synergistic effect with thymol. Copyright © 2016 Elsevier Masson SAS. All rights reserved.
Radtke, H.; Burchard, H.
2015-01-01
In this paper, an unconditionally positive and multi-element conserving time stepping scheme for systems of non-linearly coupled ODE's is presented. These systems of ODE's are used to describe biogeochemical transformation processes in marine ecosystem models. The numerical scheme is a positive-definite modification of the Runge-Kutta method, it can have arbitrarily high order of accuracy and does not require time step adaption. If the scheme is combined with a modified Patankar-Runge-Kutta method from Burchard et al. (2003), it also gets the ability to solve a certain class of stiff numerical problems, but the accuracy is restricted to second-order then. The performance of the new scheme on two test case problems is shown.
Continuous-Time Random Walk with multi-step memory: an application to market dynamics
Gubiec, Tomasz; Kutner, Ryszard
2017-11-01
An extended version of the Continuous-Time Random Walk (CTRW) model with memory is herein developed. This memory involves the dependence between arbitrary number of successive jumps of the process while waiting times between jumps are considered as i.i.d. random variables. This dependence was established analyzing empirical histograms for the stochastic process of a single share price on a market within the high frequency time scale. Then, it was justified theoretically by considering bid-ask bounce mechanism containing some delay characteristic for any double-auction market. Our model appeared exactly analytically solvable. Therefore, it enables a direct comparison of its predictions with their empirical counterparts, for instance, with empirical velocity autocorrelation function. Thus, the present research significantly extends capabilities of the CTRW formalism. Contribution to the Topical Issue "Continuous Time Random Walk Still Trendy: Fifty-year History, Current State and Outlook", edited by Ryszard Kutner and Jaume Masoliver.
Bunce, D; Haynes, BI; Lord, SR; Gschwind, YJ; Kochan, NA; Reppermund, S; Brodaty, H; Sachdev, PS; Delbaere, K
2017-01-01
Background: Reaction time measures have considerable potential to aid neuropsychological assessment in a variety of health care settings. One such measure, the intraindividual reaction time variability (IIV), is of particular interest as it is thought to reflect neurobiological disturbance. IIV is associated with a variety of age-related neurological disorders, as well as gait impairment and future falls in older adults. However, although persons diagnosed with Mild Cognitive Impairment (MCI)...
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Bejeh Mir, Arash Poorsattar [Dentistry Student Research Committee (DSRC), Dental Materials Research Center, Dentistry School, Babol University of Medical Sciences, Babol (Iran, Islamic Republic of); Bejeh Mir, Morvarid Poorsattar [Private Practice of Orthodontics, Montreal, Quebec (Canada)
2012-09-15
ANSI/ADA has established standards for adequate radiopacity. This study was aimed to assess the changes in radiopacity of composite resins according to various tube-target distances and exposure times. Five 1-mm thick samples of Filtek P60 and Clearfil composite resins were prepared and exposed with six tube-target distance/exposure time setups (i.e., 40 cm, 0.2 seconds; 30 cm, 0.2 seconds; 30 cm, 0.16 seconds, 30 cm, 0.12 seconds; 15 cm, 0.2 seconds; 15 cm, 0.12 seconds) performing at 70 kVp and 7 mA along with a 12-step aluminum stepwedge (1 mm incremental steps) using a PSP digital sensor. Thereafter, the radiopacities measured with Digora for Windows software 2.5 were converted to absorbencies (i.e., A=-log (1-G/255)), where A is the absorbency and G is the measured gray scale). Furthermore, the linear regression model of aluminum thickness and absorbency was developed and used to convert the radiopacity of dental materials to the equivalent aluminum thickness. In addition, all calculations were compared with those obtained from a modified 3-step stepwedge (i.e., using data for the 2nd, 5th, and 8th steps). The radiopacities of the composite resins differed significantly with various setups (p<0.001) and between the materials (p<0.001). The best predicted model was obtained for the 30 cm 0.2 seconds setup (R2=0.999). Data from the reduced modified stepwedge was remarkable and comparable with the 12-step stepwedge. Within the limits of the present study, our findings support that various setups might influence the radiopacity of dental materials on digital radiographs.
Kandel, D. D.; Western, A. W.; Grayson, R. B.
2004-12-01
Mismatches in scale between the fundamental processes, the model and supporting data are a major limitation in hydrologic modelling. Surface runoff generation via infiltration excess and the process of soil erosion are fundamentally short time-scale phenomena and their average behaviour is mostly determined by the short time-scale peak intensities of rainfall. Ideally, these processes should be simulated using time-steps of the order of minutes to appropriately resolve the effect of rainfall intensity variations. However, sub-daily data support is often inadequate and the processes are usually simulated by calibrating daily (or even coarser) time-step models. Generally process descriptions are not modified but rather effective parameter values are used to account for the effect of temporal lumping, assuming that the effect of the scale mismatch can be counterbalanced by tuning the parameter values at the model time-step of interest. Often this results in parameter values that are difficult to interpret physically. A similar approach is often taken spatially. This is problematic as these processes generally operate or interact non-linearly. This indicates a need for better techniques to simulate sub-daily processes using daily time-step models while still using widely available daily information. A new method applicable to many rainfall-runoff-erosion models is presented. The method is based on temporal scaling using statistical distributions of rainfall intensity to represent sub-daily intensity variations in a daily time-step model. This allows the effect of short time-scale nonlinear processes to be captured while modelling at a daily time-step, which is often attractive due to the wide availability of daily forcing data. The approach relies on characterising the rainfall intensity variation within a day using a cumulative distribution function (cdf). This cdf is then modified by various linear and nonlinear processes typically represented in hydrological and
International Nuclear Information System (INIS)
Ciezki, Jay P.; Reddy, Chandana A.; Garcia, Jorge; Angermeier, Kenneth; Ulchaker, James; Mahadevan, Arul; Chehade, Nabil; Altman, Andrew; Klein, Eric A.
2006-01-01
Purpose: To analyze prostate-specific antigen (PSA) kinetics in patients treated with prostate brachytherapy (PI) with a minimum of 5 years of PSA follow-up. Methods and Materials: The records of 162 patients treated with PI for localized prostate cancer with a minimum of 5 years of PSA follow-up were reviewed. A variety of pretreatment and posttreatment variables were examined. Patients were coded as having a PSA bounce if their PSA achieved a nadir, elevated at least 0.2 ng/mL greater than that nadir, and decreased to, or below, the initial nadir. Two definitions of biochemical failure (bF) or biochemical relapse-free survival (bRFS) were used: the classic American Society for Therapeutic Radiology and Oncology consensus definition of three consecutive rises (bF3) and the nadir plus 2 ng/mL definition (bFn+2). Associations between a PSA bounce and the various pre- and posttreatment factors were assessed with logistic regression analysis, and the association between a PSA bounce and bF was examined with the log-rank test. The Mann-Whitney U test was applied to test for differences in the PSA doubling time (PSADT) and the time to a PSA rise between the PSA bounce patients and the bF patients. PSADT was calculated from the nadir to the time of the first PSA rise, because this point is known first in the clinical setting. Results: The 5-year overall bRFS rate was 87% for the bF3 definition and 96% for the bFn+2 definition. A PSA bounce was experienced by 75 patients (46.3%). Patients who experienced a PSA bounce were less likely to have a bF, regardless of the bRFS definition used (bF3: p = 0.0015; bFn+2: p = 0.0040). Among the pre- and posttreatment factors, only younger age predicted for a PSA bounce on multivariate analysis (p = 0.0018). The use of androgen deprivation had no effect on PSA bounce. No difference was found in the PSADT between patients who had a PSA bounce and those with bF. The median PSADT for those with a PSA bounce was 8.3 months vs. 10.3 months
Wang, Zhan-zhi; Xiong, Ying
2013-04-01
A growing interest has been devoted to the contra-rotating propellers (CRPs) due to their high propulsive efficiency, torque balance, low fuel consumption, low cavitations, low noise performance and low hull vibration. Compared with the single-screw system, it is more difficult for the open water performance prediction because forward and aft propellers interact with each other and generate a more complicated flow field around the CRPs system. The current work focuses on the open water performance prediction of contra-rotating propellers by RANS and sliding mesh method considering the effect of computational time step size and turbulence model. The validation study has been performed on two sets of contra-rotating propellers developed by David W Taylor Naval Ship R & D center. Compared with the experimental data, it shows that RANS with sliding mesh method and SST k-ω turbulence model has a good precision in the open water performance prediction of contra-rotating propellers, and small time step size can improve the level of accuracy for CRPs with the same blade number of forward and aft propellers, while a relatively large time step size is a better choice for CRPs with different blade numbers.
Seven Steps to Heaven: Time and Tide in 21st Century Contemporary Music Higher Education
Mitchell, Annie K.
2018-01-01
Throughout the time of my teaching career, the tide has exposed changes in the nature of music, students and music education. This paper discusses teaching and learning in contemporary music at seven critical stages of 21st century music education: i) diverse types of undergraduate learners; ii) teaching traditional classical repertoire and skills…
Bochev, Mikhail A.; Oseledets, I.V.; Tyrtyshnikov, E.E.
2013-01-01
The aim of this paper is two-fold. First, we propose an efficient implementation of the continuous time waveform relaxation method based on block Krylov subspaces. Second, we compare this new implementation against Krylov subspace methods combined with the shift and invert technique.
Minisini, S.; Zhebel, E.; Kononov, A.; Mulder, W.A.
2013-01-01
Modeling and imaging techniques for geophysics are extremely demanding in terms of computational resources. Seismic data attempt to resolve smaller scales and deeper targets in increasingly more complex geologic settings. Finite elements enable accurate simulation of time-dependent wave propagation
Fonoff, Erich Talamoni; Azevedo, Angelo; Angelos, Jairo Silva Dos; Martinez, Raquel Chacon Ruiz; Navarro, Jessie; Reis, Paul Rodrigo; Sepulveda, Miguel Ernesto San Martin; Cury, Rubens Gisbert; Ghilardi, Maria Gabriela Dos Santos; Teixeira, Manoel Jacobsen; Lopez, William Omar Contreras
2016-07-01
OBJECT Currently, bilateral procedures involve 2 sequential implants in each of the hemispheres. The present report demonstrates the feasibility of simultaneous bilateral procedures during the implantation of deep brain stimulation (DBS) leads. METHODS Fifty-seven patients with movement disorders underwent bilateral DBS implantation in the same study period. The authors compared the time required for the surgical implantation of deep brain electrodes in 2 randomly assigned groups. One group of 28 patients underwent traditional sequential electrode implantation, and the other 29 patients underwent simultaneous bilateral implantation. Clinical outcomes of the patients with Parkinson's disease (PD) who had undergone DBS implantation of the subthalamic nucleus using either of the 2 techniques were compared. RESULTS Overall, a reduction of 38.51% in total operating time for the simultaneous bilateral group (136.4 ± 20.93 minutes) as compared with that for the traditional consecutive approach (220.3 ± 27.58 minutes) was observed. Regarding clinical outcomes in the PD patients who underwent subthalamic nucleus DBS implantation, comparing the preoperative off-medication condition with the off-medication/on-stimulation condition 1 year after the surgery in both procedure groups, there was a mean 47.8% ± 9.5% improvement in the Unified Parkinson's Disease Rating Scale Part III (UPDRS-III) score in the simultaneous group, while the sequential group experienced 47.5% ± 15.8% improvement (p = 0.96). Moreover, a marked reduction in the levodopa-equivalent dose from preoperatively to postoperatively was similar in these 2 groups. The simultaneous bilateral procedure presented major advantages over the traditional sequential approach, with a shorter total operating time. CONCLUSIONS A simultaneous stereotactic approach significantly reduces the operation time in bilateral DBS procedures, resulting in decreased microrecording time, contributing to the optimization of functional
Time Alignment as a Necessary Step in the Analysis of Sleep Probabilistic Curves
Rošt'áková, Zuzana; Rosipal, Roman
2018-02-01
Sleep can be characterised as a dynamic process that has a finite set of sleep stages during the night. The standard Rechtschaffen and Kales sleep model produces discrete representation of sleep and does not take into account its dynamic structure. In contrast, the continuous sleep representation provided by the probabilistic sleep model accounts for the dynamics of the sleep process. However, analysis of the sleep probabilistic curves is problematic when time misalignment is present. In this study, we highlight the necessity of curve synchronisation before further analysis. Original and in time aligned sleep probabilistic curves were transformed into a finite dimensional vector space, and their ability to predict subjects' age or daily measures is evaluated. We conclude that curve alignment significantly improves the prediction of the daily measures, especially in the case of the S2-related sleep states or slow wave sleep.
The impact of weight classification on safety: timing steps to adapt to external constraints
Gill, S.V.
2015-01-01
Objectives: The purpose of the current study was to evaluate how weight classification influences safety by examining adults’ ability to meet a timing constraint: walking to the pace of an audio metronome. Methods: With a cross-sectional design, walking parameters were collected as 55 adults with normal (n=30) and overweight (n=25) body mass index scores walked to slow, normal, and fast audio metronome paces. Results: Between group comparisons showed that at the fast pace, those with overweight body mass index (BMI) had longer double limb support and stance times and slower cadences than the normal weight group (all psmetronome paces revealed that participants who were overweight had higher cadences at the slow and fast paces (all ps<0.05). Conclusions: Findings suggest that those with overweight BMI alter their gait to maintain biomechanical stability. Understanding how excess weight influences gait adaptation can inform interventions to improve safety for individuals with obesity. PMID:25730658
Off-line real-time FTIR analysis of a process step in imipenem production
Boaz, Jhansi R.; Thomas, Scott M.; Meyerhoffer, Steven M.; Staskiewicz, Steven J.; Lynch, Joseph E.; Egan, Richard S.; Ellison, Dean K.
1992-08-01
We have developed an FT-IR method, using a Spectra-Tech Monit-IR 400 systems, to monitor off-line the completion of a reaction in real-time. The reaction is moisture-sensitive and analysis by more conventional methods (normal-phase HPLC) is difficult to reproduce. The FT-IR method is based on the shift of a diazo band when a conjugated beta-diketone is transformed into a silyl enol ether during the reaction. The reaction mixture is examined directly by IR and does not require sample workup. Data acquisition time is less than one minute. The method has been validated for specificity, precision and accuracy. The results obtained by the FT-IR method for known mixtures and in-process samples compare favorably with those from a normal-phase HPLC method.
van Kuilenburg, A. B.; Gorren, A. C.; Dekker, H. L.; Nieboer, P.; van Gelder, B. F.; Muijsers, A. O.
1992-01-01
Human cytochrome c oxidase was purified in a fully active form from heart and skeletal muscle. The enzyme was selectively solubilised with octylglucoside and KCl from submitochondrial particles followed by ammonium sulphate fractionation. The presteady-state and steady-state kinetic properties of
Study on Apparent Kinetic Prediction Model of the Smelting Reduction Based on the Time-Series
Directory of Open Access Journals (Sweden)
Guo-feng Fan
2012-01-01
Full Text Available A series of direct smelting reduction experiment has been carried out with high phosphorous iron ore of the different bases by thermogravimetric analyzer. The derivative thermogravimetric (DTG data have been obtained from the experiments. One-step forward local weighted linear (LWL method , one of the most suitable ways of predicting chaotic time-series methods which focus on the errors, is used to predict DTG. In the meanwhile, empirical mode decomposition-autoregressive (EMD-AR, a data mining technique in signal processing, is also used to predict DTG. The results show that (1 EMD-AR(4 is the most appropriate and its error is smaller than the former; (2 root mean square error (RMSE has decreased about two-thirds; (3 standardized root mean square error (NMSE has decreased in an order of magnitude. Finally in this paper, EMD-AR method has been improved by golden section weighting; its error would be smaller than before. Therefore, the improved EMD-AR model is a promising alternative for apparent reaction rate (DTG. The analytical results have been an important reference in the field of industrial control.
Effect of moisture and drying time on the bond strength of the one-step self-etching adhesive system
Directory of Open Access Journals (Sweden)
Yoon Lee
2012-08-01
Full Text Available Objectives To investigate the effect of dentin moisture degree and air-drying time on dentin-bond strength of two different one-step self-etching adhesive systems. Materials and Methods Twenty-four human third molars were used for microtensile bond strength testing of G-Bond and Clearfil S3 Bond. The dentin surface was either blot-dried or air-dried before applying these adhesive agents. After application of the adhesive agent, three different air drying times were evaluated: 1, 5, and 10 sec. Composite resin was build up to 4 mm thickness and light cured for 40 sec with 2 separate layers. Then the tooth was sectioned and trimmed to measure the microtensile bond strength using a universal testing machine. The measured bond strengths were analyzed with three-way ANOVA and regression analysis was done (p = 0.05. Results All three factors, materials, dentin wetness and air drying time, showed significant effect on the microtensile bond strength. Clearfil S3 Bond, dry dentin surface and 10 sec air drying time showed higher bond strength. Conclusions Within the limitation of this experiment, air drying time after the application of the one-step self-etching adhesive agent was the most significant factor affecting the bond strength, followed by the material difference and dentin moisture before applying the adhesive agent.
Kim, Ye Chan; Min, Hyunsung; Hong, Sungyong; Wang, Mei; Sun, Hanna; Park, In-Kyung; Choi, Hyouk Ryeol; Koo, Ja Choon; Moon, Hyungpil; Kim, Kwang J.; Suhr, Jonghwan; Nam, Jae-Do
2017-08-01
As packaging technologies are demanded that reduce the assembly area of substrate, thin composite laminate substrates require the utmost high performance in such material properties as the coefficient of thermal expansion (CTE), and stiffness. Accordingly, thermosetting resin systems, which consist of multiple fillers, monomers and/or catalysts in thermoset-based glass fiber prepregs, are extremely complicated and closely associated with rheological properties, which depend on the temperature cycles for cure. For the process control of these complex systems, it is usually required to obtain a reliable kinetic model that could be used for the complex thermal cycles, which usually includes both the isothermal and dynamic-heating segments. In this study, an ultra-thin prepreg with highly loaded silica beads and glass fibers in the epoxy/amine resin system was investigated as a model system by isothermal/dynamic heating experiments. The maximum degree of cure was obtained as a function of temperature. The curing kinetics of the model prepreg system exhibited a multi-step reaction and a limited conversion as a function of isothermal curing temperatures, which are often observed in epoxy cure system because of the rate-determining diffusion of polymer chain growth. The modified kinetic equation accurately described the isothermal behavior and the beginning of the dynamic-heating behavior by integrating the obtained maximum degree of cure into the kinetic model development.
International Nuclear Information System (INIS)
Finn, John M.
2015-01-01
Properties of integration schemes for solenoidal fields in three dimensions are studied, with a focus on integrating magnetic field lines in a plasma using adaptive time stepping. It is shown that implicit midpoint (IM) and a scheme we call three-dimensional leapfrog (LF) can do a good job (in the sense of preserving KAM tori) of integrating fields that are reversible, or (for LF) have a “special divergence-free” (SDF) property. We review the notion of a self-adjoint scheme, showing that such schemes are at least second order accurate and can always be formed by composing an arbitrary scheme with its adjoint. We also review the concept of reversibility, showing that a reversible but not exactly volume-preserving scheme can lead to a fractal invariant measure in a chaotic region, although this property may not often be observable. We also show numerical results indicating that the IM and LF schemes can fail to preserve KAM tori when the reversibility property (and the SDF property for LF) of the field is broken. We discuss extensions to measure preserving flows, the integration of magnetic field lines in a plasma and the integration of rays for several plasma waves. The main new result of this paper relates to non-uniform time stepping for volume-preserving flows. We investigate two potential schemes, both based on the general method of Feng and Shang [Numer. Math. 71, 451 (1995)], in which the flow is integrated in split time steps, each Hamiltonian in two dimensions. The first scheme is an extension of the method of extended phase space, a well-proven method of symplectic integration with non-uniform time steps. This method is found not to work, and an explanation is given. The second method investigated is a method based on transformation to canonical variables for the two split-step Hamiltonian systems. This method, which is related to the method of non-canonical generating functions of Richardson and Finn [Plasma Phys. Controlled Fusion 54, 014004 (2012
First steps towards real-time radiography at the NECTAR facility
Bücherl, T.; Wagner, F. M.; v. Gostomski, Ch. Lierse
2009-06-01
The beam tube SR10 at Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II) provides an intense beam of fission neutrons for medical application (MEDAPP) and for radiography and tomography of technical and other objects (NECTAR). The high neutron flux of up to 9.8E+07 cm -2 s -1 (depending on filters and collimation) with a mean energy of about 1.9 MeV at the sample position at the NECTAR facility prompted an experimental feasibility study to investigate the potential for real-time (RT) radiography.
First steps towards real-time radiography at the NECTAR facility
International Nuclear Information System (INIS)
Buecherl, T.; Wagner, F.M.; Lierse von Gostomski, Ch.
2009-01-01
The beam tube SR10 at Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II) provides an intense beam of fission neutrons for medical application (MEDAPP) and for radiography and tomography of technical and other objects (NECTAR). The high neutron flux of up to 9.8E+07 cm -2 s -1 (depending on filters and collimation) with a mean energy of about 1.9 MeV at the sample position at the NECTAR facility prompted an experimental feasibility study to investigate the potential for real-time (RT) radiography.
First steps towards real-time radiography at the NECTAR facility
Energy Technology Data Exchange (ETDEWEB)
Buecherl, T. [Lehrstuhl fuer Radiochemie (RCM), Technische Universitaet Muenchen (TUM) (Germany)], E-mail: thomas.buecherl@radiochemie.de; Wagner, F.M. [Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II), Technische Universitaet Muenchen (Germany); Lierse von Gostomski, Ch. [Lehrstuhl fuer Radiochemie (RCM), Technische Universitaet Muenchen (TUM) (Germany)
2009-06-21
The beam tube SR10 at Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II) provides an intense beam of fission neutrons for medical application (MEDAPP) and for radiography and tomography of technical and other objects (NECTAR). The high neutron flux of up to 9.8E+07 cm{sup -2} s{sup -1} (depending on filters and collimation) with a mean energy of about 1.9 MeV at the sample position at the NECTAR facility prompted an experimental feasibility study to investigate the potential for real-time (RT) radiography.
A Novel Bioinspired Vision System: A Step toward Real-Time Human-Robot Interactions
Directory of Open Access Journals (Sweden)
Abdul Rahman Hafiz
2011-01-01
Full Text Available Building a human-like robot that could be involved in our daily lives is a dream of many scientists. Achieving a sophisticated robot's vision system, which can enhance the robot's real-time interaction ability with the human, is one of the main keys toward realizing such an autonomous robot. In this work, we are suggesting a bioinspired vision system that helps to develop an advanced human-robot interaction in an autonomous humanoid robot. First, we enhance the robot's vision accuracy online by applying a novel dynamic edge detection algorithm abstracted from the rules that the horizontal cells play in the mammalian retina. Second, in order to support the first algorithm, we improve the robot's tracking ability by designing a variant photoreceptors distribution corresponding to what exists in the human vision system. The experimental results verified the validity of the model. The robot could have a clear vision in real time and build a mental map that assisted it to be aware of the frontal users and to develop a positive interaction with them.
International Nuclear Information System (INIS)
Hebenstreit, F.; Alkofer, R.; Gies, H.
2010-01-01
The nonperturbative electron-positron pair production (Schwinger effect) is considered for space- and time-dependent electric fields E-vector(x-vector,t). Based on the Dirac-Heisenberg-Wigner formalism, we derive a system of partial differential equations of infinite order for the 16 irreducible components of the Wigner function. In the limit of spatially homogeneous fields the Vlasov equation of quantum kinetic theory is rediscovered. It is shown that the quantum kinetic formalism can be exactly solved in the case of a constant electric field E(t)=E 0 and the Sauter-type electric field E(t)=E 0 sech 2 (t/τ). These analytic solutions translate into corresponding expressions within the Dirac-Heisenberg-Wigner formalism and allow to discuss the effect of higher derivatives. We observe that spatial field variations typically exert a strong influence on the components of the Wigner function for large momenta or for late times.
International Nuclear Information System (INIS)
Chen, G.S.; Christenson, J.M.
1985-01-01
In this paper, the authors present some initial results from an investigation of the application of a locally one-dimensional (LOD) finite difference method to the solution of the two-dimensional, two-group reactor kinetics equations. Although the LOD method is relatively well known, it apparently has not been previously applied to the space-time kinetics equations. In this investigation, the LOD results were benchmarked against similar computational results (using the same computing environment, the same programming structure, and the same sample problems) obtained by the TWIGL program. For all of the problems considered, the LOD method provided accurate results in one-half to one-eight of the time required by the TWIGL program
PHISICS/RELAP5-3D Adaptive Time-Step Method Demonstrated for the HTTR LOFC#1 Simulation
Energy Technology Data Exchange (ETDEWEB)
Baker, Robin Ivey [Idaho National Lab. (INL), Idaho Falls, ID (United States); Balestra, Paolo [Univ. of Rome (Italy); Strydom, Gerhard [Idaho National Lab. (INL), Idaho Falls, ID (United States)
2017-05-01
A collaborative effort between Japan Atomic Energy Agency (JAEA) and Idaho National Laboratory (INL) as part of the Civil Nuclear Energy Working Group is underway to model the high temperature engineering test reactor (HTTR) loss of forced cooling (LOFC) transient that was performed in December 2010. The coupled version of RELAP5-3D, a thermal fluids code, and PHISICS, a neutronics code, were used to model the transient. The focus of this report is to summarize the changes made to the PHISICS-RELAP5-3D code for implementing an adaptive time step methodology into the code for the first time, and to test it using the full HTTR PHISICS/RELAP5-3D model developed by JAEA and INL and the LOFC simulation. Various adaptive schemes are available based on flux or power convergence criteria that allow significantly larger time steps to be taken by the neutronics module. The report includes a description of the HTTR and the associated PHISICS/RELAP5-3D model test results as well as the University of Rome sub-contractor report documenting the adaptive time step theory and methodology implemented in PHISICS/RELAP5-3D. Two versions of the HTTR model were tested using 8 and 26 energy groups. It was found that most of the new adaptive methods lead to significant improvements in the LOFC simulation time required without significant accuracy penalties in the prediction of the fission power and the fuel temperature. In the best performing 8 group model scenarios, a LOFC simulation of 20 hours could be completed in real-time, or even less than real-time, compared with the previous version of the code that completed the same transient 3-8 times slower than real-time. A few of the user choice combinations between the methodologies available and the tolerance settings did however result in unacceptably high errors or insignificant gains in simulation time. The study is concluded with recommendations on which methods to use for this HTTR model. An important caveat is that these findings
A kinetic model to simulate the effect of cooking time-temperature on the gastric digestion of meat
Kondjoyan, Alain; Daudin, Jean-Dominique; Portanguen, Stéphane; Aubry, Laurent; Sante-Lhoutellier, Veronique
2014-01-01
A kinetic model was developed to predict the effect of cooking time and temperature on the digestibility of myofibrillar proteins. The predictions were confronted to the measurement of the in vitro digestibility of myofibrillar proteins coming from either slices of beef meat heated in water bath or from a piece of meat roasted in a domestic oven. The model was able to simulate the in vitro measurements for the meat pieces of different sizes cooked under different condi...
Altunsoy, Mustafa; Botsali, Murat Selim; Tosun, Gonca; Yasar, Ahmet
2015-10-16
The aim of this study was to evaluate the effect of increased exposure times on the amount of residual Bis-GMA, TEGDMA, HEMA and UDMA released from single-step self-etch adhesive systems. Two adhesive systems were used. The adhesives were applied to bovine dentin surface according to the manufacturer's instructions and were polymerized using an LED curing unit for 10, 20 and 40 seconds (n = 5). After polymerization, the specimens were stored in 75% ethanol-water solution (6 mL). Residual monomers (Bis-GMA, TEGDMA, UDMA and HEMA) that were eluted from the adhesives (after 10 minutes, 1 hour, 1 day, 7 days and 30 days) were analyzed by high-performance liquid chromatography (HPLC). The data were analyzed using 1-way analysis of variance and Tukey HSD tests. Among the time periods, the highest amount of released residual monomers from adhesives was observed in the 10th minute. There were statistically significant differences regarding released Bis-GMA, UDMA, HEMA and TEGDMA between the adhesive systems (p<0.05). There were no significant differences among the 10, 20 and 40 second polymerization times according to their effect on residual monomer release from adhesives (p>0.05). Increasing the polymerization time did not have an effect on residual monomer release from single-step self-etch adhesives.
International Nuclear Information System (INIS)
Zarzycki, Piotr P.; Rosso, Kevin M.
2009-01-01
Replica Kinetic Monte Carlo simulations were used to study the characteristic time scales of potentiometric titration of the metal oxides and (oxy)hydroxides. The effect of surface heterogeneity and surface transformation on the titration kinetics were also examined. Two characteristic relaxation times are often observed experimentally, with the trailing slower part attributed to surface non-uniformity, porosity, polymerization, amorphization, and other dynamic surface processes induced by unbalanced surface charge. However, our simulations show that these two characteristic relaxation times are intrinsic to the proton binding reaction for energetically homogeneous surfaces, and therefore surface heterogeneity or transformation do not necessarily need to be invoked. However, all such second-order surface processes are found to intensify the separation and distinction of the two kinetic regimes. The effect of surface energetic-topographic non-uniformity, as well dynamic surface transformation, interface roughening/smoothing were described in a statistical fashion. Furthermore, our simulations show that a shift in the point-of-zero charge is expected from increased titration speed and the pH-dependence of the titration measurement error is in excellent agreement with experimental studies.
Zarzycki, Piotr; Rosso, Kevin M
2009-06-16
Replica kinetic Monte Carlo simulations were used to study the characteristic time scales of potentiometric titration of the metal oxides and (oxy)hydroxides. The effect of surface heterogeneity and surface transformation on the titration kinetics were also examined. Two characteristic relaxation times are often observed experimentally, with the trailing slower part attributed to surface nonuniformity, porosity, polymerization, amorphization, and other dynamic surface processes induced by unbalanced surface charge. However, our simulations show that these two characteristic relaxation times are intrinsic to the proton-binding reaction for energetically homogeneous surfaces, and therefore surface heterogeneity or transformation does not necessarily need to be invoked. However, all such second-order surface processes are found to intensify the separation and distinction of the two kinetic regimes. The effect of surface energetic-topographic nonuniformity, as well dynamic surface transformation, interface roughening/smoothing were described in a statistical fashion. Furthermore, our simulations show that a shift in the point-of-zero charge is expected from increased titration speed, and the pH-dependence of the titration measurement error is in excellent agreement with experimental studies.
Remane, Y; Leopold, C S
2006-01-01
The time of erythema onset may be used as a response parameter for quantification of the cutaneous erythema response induced by methyl nicotinate. The vehicles light mineral oil (LMO; test) and medium chain triglycerides (MCT; standard) were compared with regard to the pharmacodynamic response. Moreover, the influence of penetration enhancers on the time of erythema onset was investigated under zero order penetration kinetics. The enhancers dimethyl sulfoxide, diethylene glycol monoethyl ether and three different glycerides in different concentrations were added to MCT as a standard vehicle. All preparations were applied to the forearms of volunteers under infinite dose conditions at different thermodynamic drug activity levels (0.2-3.2% of the saturation level) and different drug concentrations (0.051-0.816%), respectively. Different penetration kinetics do not influence data of erythema onset, as these data are comparable to those obtained under finite dose conditions (first order penetration kinetics). With regard to the penetration enhancers, a significantly enhanced penetration of methyl nicotinate could be observed only for diethylene glycol monoethyl ether and dimethyl sulfoxide. However, no significant difference between light mineral oil and MCT could be found with regard to penetration enhancement. The time of erythema onset is an easy and efficient parameter for quantification of the pharmacodynamic response caused by nicotinates.
In the time of significant generational diversity - surgical leadership must step up!
Money, Samuel R; O'Donnell, Mark E; Gray, Richard J
2014-02-01
The diverse attitudes and motivations of surgeons and surgical trainees within different age groups present an important challenge for surgical leaders and educators. These challenges to surgical leadership are not unique, and other industries have likewise needed to grapple with how best to manage these various age groups. The authors will herein explore management and leadership for surgeons in a time of age diversity, define generational variations within "Baby-Boomer", "Generation X" and "Generation Y" populations, and identify work ethos concepts amongst these three groups. The surgical community must understand and embrace these concepts in order to continue to attract a stellar pool of applicants from medical school. By not accepting the changing attitudes and motivations of young trainees and medical students, we may disenfranchise a high percentage of potential future surgeons. Surgical training programs will fill, but will they contain the highest quality trainees? Copyright © 2013 Royal College of Surgeons of Edinburgh (Scottish charity number SC005317) and Royal College of Surgeons in Ireland. Published by Elsevier Ltd. All rights reserved.
Time extrapolation of radiolytic degradation product kinetics: the case of polyurethane
International Nuclear Information System (INIS)
Dannoux, A.
2007-02-01
The prediction of the environmental impact of organic materials in nuclear waste geological storage needs knowledge of radiolytic degradation mechanisms and kinetics in aerobic and anaerobic conditions. In this framework, the effect of high doses (> MGy) and the variation of dose rate have to be considered. The material studied is a polyurethane composed of polyether soft segment and aromatic hard segments. Mechanisms were built on the analysis of material submitted to irradiations of simulation (high energy electrons and gamma radiation) by FTIR spectroscopy and gaseous and liquid degradation products by gas mass spectrometry and size exclusion chromatography. The electron paramagnetic resonance study of radical process and the determination of oxygen consumption and gas formation radiolytic yields allowed us to acquire kinetic data and to estimate dose rate and high doses effects. The polyurethane radio-oxidation mainly concerns soft segments and induced cross-linkings and production by scissions of oxidised compounds (esters, alcohols, carboxylic acids). The kinetic of radical termination is rapid and the dose rate effect is limited. After 10 MGy, branching and scission reactions are in equilibrium and low molecular weight products accumulate. At last, the degradation products release in water is influenced by the oxidation rate and the temperature. After 10 MGy, the soluble fraction is stabilised at 25%. The water soluble products identified by electro-spray ionisation mass spectrometry (alcohols, aldehydes, carboxylic acids) potentially formed complexes with radionuclides. (author)
Rouwet, Dmitri
2016-04-01
Tracking variations in the chemical composition, water temperature and pH of brines from peak-activity crater lakes is the most obvious way to forecast phreatic activity. Volcano monitoring intrinsically implies a time window of observation that should be synchronised with the kinetics of magmatic processes, such as degassing and magma intrusion. To decipher "how much time ago" a variation in degassing regime actually occurred before eventually being detected in a crater lake is key, and depends on the lake water residence time. The above reasoning assumes that gas is preserved as anions in the lake water (SO4, Cl, F anions), in other words, that scrubbing of acid gases is complete and irreversible. Less is true. Recent work has confirmed, by direct MultiGas measurement from evaporative plumes, that even the strongest acid in liquid medium (i.e. SO2) degasses from hyper-acidic crater lakes. The less strong acid HCl has long been recognised as being more volatile than hydrophyle in extremely acidic solutions (pH near 0), through a long-term steady increase in SO4/Cl ratios in the vigorously evaporating crater lake of Poás volcano. We now know that acidic gases flush through hyper-acidic crater lake brines, but we don't know to which extend (completely or partially?), and with which speed. The chemical composition hence only reflects a transient phase of the gas flushing through the lake. In terms of volcanic surveillance this brings the advantage that the monitoring time window is definitely shorter than defined by the water chemistry, but yet, we do not know how much shorter. Empirical experiments by Capaccioni et al. (in press) have tried to tackle this kinetic problem for HCl degassing from a "lab-lake" on the short-term (2 days). With this state of the art in mind, two new monitoring strategies can be proposed to seek for precursory signals of phreatic eruptions from crater lakes: (1) Tracking variations in gas compositions, fluxes and ratios between species in
Kurz, Ilan; Gimmon, Yoav; Shapiro, Amir; Debi, Ronen; Snir, Yoram; Melzer, Itshak
2016-03-04
Falls are common among elderly, most of them occur while slipping or tripping during walking. We aimed to explore whether a training program that incorporates unexpected loss of balance during walking able to improve risk factors for falls. In a double-blind randomized controlled trial 53 community dwelling older adults (age 80.1±5.6 years), were recruited and randomly allocated to an intervention group (n = 27) or a control group (n = 26). The intervention group received 24 training sessions over 3 months that included unexpected perturbation of balance exercises during treadmill walking. The control group performed treadmill walking with no perturbations. The primary outcome measures were the voluntary step execution times, traditional postural sway parameters and Stabilogram-Diffusion Analysis. The secondary outcome measures were the fall efficacy Scale (FES), self-reported late life function (LLFDI), and Performance-Oriented Mobility Assessment (POMA). Compared to control, participation in intervention program that includes unexpected loss of balance during walking led to faster Voluntary Step Execution Times under single (p = 0.002; effect size [ES] =0.75) and dual task (p = 0.003; [ES] = 0.89) conditions; intervention group subjects showed improvement in Short-term Effective diffusion coefficients in the mediolateral direction of the Stabilogram-Diffusion Analysis under eyes closed conditions (p = 0.012, [ES] = 0.92). Compared to control there were no significant changes in FES, LLFDI, and POMA. An intervention program that includes unexpected loss of balance during walking can improve voluntary stepping times and balance control, both previously reported as risk factors for falls. This however, did not transferred to a change self-reported function and FES. ClinicalTrials.gov NCT01439451 .
Pochop, Jaroslav; Kačániová, Miroslava; Hleba, Lukáš; Lopasovský, L'ubomír; Bobková, Alica; Zeleňáková, Lucia; Stričík, Michal
2012-01-01
The aim of this study was to follow contamination of ready-to-eat food with Listeria monocytogenes by using the Step One real time polymerase chain reaction (PCR). We used the PrepSEQ Rapid Spin Sample Preparation Kit for isolation of DNA and MicroSEQ® Listeria monocytogenes Detection Kit for the real-time PCR performance. In 30 samples of ready-to-eat milk and meat products without incubation we detected strains of Listeria monocytogenes in five samples (swabs). Internal positive control (IPC) was positive in all samples. Our results indicated that the real-time PCR assay developed in this study could sensitively detect Listeria monocytogenes in ready-to-eat food without incubation.
DEFF Research Database (Denmark)
Pang, Kar Mun; Ivarsson, Anders; Haider, Sajjad
2013-01-01
In the current work, a local time stepping (LTS) solver for the modeling of combustion, radiative heat transfer and soot formation is developed and validated. This is achieved using an open source computational fluid dynamics code, OpenFOAM. Akin to the solver provided in default assembly i...... library in the edcSimpleFoam solver which was introduced during the 6th OpenFOAM workshop is modified and coupled with the current solver. One of the main amendments made is the integration of soot radiation submodel since this is significant in rich flames where soot particles are formed. The new solver...
Energy Technology Data Exchange (ETDEWEB)
Mather, Barry
2017-08-24
The increasing deployment of distribution-connected photovoltaic (DPV) systems requires utilities to complete complex interconnection studies. Relatively simple interconnection study methods worked well for low penetrations of photovoltaic systems, but more complicated quasi-static time-series (QSTS) analysis is required to make better interconnection decisions as DPV penetration levels increase. Tools and methods must be developed to support this. This paper presents a variable-time-step solver for QSTS analysis that significantly shortens the computational time and effort to complete a detailed analysis of the operation of a distribution circuit with many DPV systems. Specifically, it demonstrates that the proposed variable-time-step solver can reduce the required computational time by as much as 84% without introducing any important errors to metrics, such as the highest and lowest voltage occurring on the feeder, number of voltage regulator tap operations, and total amount of losses realized in the distribution circuit during a 1-yr period. Further improvement in computational speed is possible with the introduction of only modest errors in these metrics, such as a 91 percent reduction with less than 5 percent error when predicting voltage regulator operations.
Tijsma, Mylou; Vister, Eva; Hoang, Phu; Lord, Stephen R
2017-03-01
Purpose To determine (a) the discriminant validity for established fall risk factors and (b) the predictive validity for falls of a simple test of choice stepping reaction time (CSRT) in people with multiple sclerosis (MS). Method People with MS (n = 210, 21-74y) performed the CSRT, sensorimotor, balance and neuropsychological tests in a single session. They were then followed up for falls using monthly fall diaries for 6 months. Results The CSRT test had excellent discriminant validity with respect to established fall risk factors. Frequent fallers (≥3 falls) performed significantly worse in the CSRT test than non-frequent fallers (0-2 falls). With the odds of suffering frequent falls increasing 69% with each SD increase in CSRT (OR = 1.69, 95% CI: 1.27-2.26, p = falls in people with MS. This test may prove useful in documenting longitudinal changes in fall risk in relation to MS disease progression and effects of interventions. Implications for rehabilitation Good choice stepping reaction time (CSRT) is required for maintaining balance. A simple low-tech CSRT test has excellent discriminative and predictive validity in relation to falls in people with MS. This test may prove useful documenting longitudinal changes in fall risk in relation to MS disease progression and effects of interventions.
Directory of Open Access Journals (Sweden)
Hamid Reza Fooladmand
2017-06-01
2006 to 2008 were used for calibrating fourteen estimated models of solar radiation in seasonally and annual time steps and the measured data of years 2009 and 2010 were used for evaluating the obtained results. The equations were used in this study divided into three groups contains: 1 The equations based on only sunshine hours. 2 The equations based on only air temperature. 3 The equations based on sunshine hours and air temperature together. On the other hand, statistical comparison must be done to select the best equation for estimating solar radiation in seasonally and annual time steps. For this purpose, in validation stage the combination of statistical equations and linear correlation was used, and then the value of mean square deviation (MSD was calculated to evaluate the different models for estimating solar radiation in mentioned time steps. Results and Discussion: The mean values of mean square deviation (MSD of fourteen models for estimating solar radiation were equal to 24.16, 20.42, 4.08 and 16.19 for spring to winter respectively, and 15.40 in annual time step. Therefore, the results showed that using the equations for autumn enjoyed high accuracy, however for other seasons had low accuracy. So, using the equations for annual time step were appropriate more than the equations for seasonally time steps. Also, the mean values of mean square deviation (MSD of the equations based on only sunshine hours, the equations based on only air temperature, and the equations based on the combination of sunshine hours and air temperature for estimating solar radiation were equal to 14.82, 17.40 and 14.88, respectively. Therefore, the results indicated that the models based on only air temperature were the worst conditions for estimating solar radiation in Shiraz region, and therefore, using the sunshine hours for estimating solar radiation is necessary. Conclusions: In this study for estimating solar radiation in seasonally and annual time steps in Shiraz region
International Nuclear Information System (INIS)
Busolo, F.; Conventi, L.; Grigolon, M.; Palu, G.
1991-01-01
Kinetics of [3H]-uridine uptake by murine peritoneal macrophages (pM phi) is early altered after exposure to a variety of stimuli. Alterations caused by Candida albicans, lipopolysaccharide (LPS) and recombinant interferon-gamma (rIFN-gamma) were similar in SAVO, C57BL/6, C3H/HeN and C3H/HeJ mice, and were not correlated with an activation process as shown by the amount of tumor necrosis factor-alpha (TNF-alpha) being released. Short-time exposure to all stimuli resulted in an increased nucleoside uptake by SAVO pM phi, suggesting that the tumoricidal function of this cell either depends from the type of stimulus or the time when the specific interaction with the cell receptor is taking place. Experiments with priming and triggering signals confirmed the above findings, indicating that the increase or the decrease of nucleoside uptake into the cell depends essentially on the chemical nature of the priming stimulus. The triggering stimulus, on the other hand, is only able to amplify the primary response
Energy Technology Data Exchange (ETDEWEB)
Shtykov, N. M., E-mail: nshtykov@mail.ru; Palto, S. P.; Umanskii, B. A. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)
2013-08-15
We report on the results of calculating the conditions for light generation in cholesteric liquid crystals doped with fluorescent dyes using kinetic equations. Specific features of spectral properties of the chiral cholesteric medium as a photonic structure and spatially distributed type of the feedback in the active medium are taken into account. The expression is derived for the threshold pump radiation intensity as a function of the dye concentration and sample thickness. The importance of taking into account the distributed loss level in the active medium for calculating the optimal parameters of the medium and for matching the calculated values with the results of experiments is demonstrated.
a Time-Resolved X-Ray Scattering Study of the Ordering Kinetics in COPPER(3)-GOLD
Shannon, Robert Francis, Jr.
Time-resolved x-ray scattering has been used to study ordering kinetics in single crystal bulk Cu _3Au, as well as in sputtered and molecular beam epitaxy grown films. After annealing at high temperatures the sample is rapidly quenched to fixed temperatures below the order-disorder transition temperature. The development of order is monitored in real time using scattering techniques. The bulk sample clearly showed three regimes: nucleation, ordering, and coarsening. The anisotropic superlattice peaks that reflect the domains structure are investigated in connection with the ordering kinetics. The line shape of the scattering function exhibits a crossover from gaussian to lorentzian-squared as the system goes from the ordering regime to the coarsening regime. Coarsening in Cu_3Au is consistent with curvature driven growth. Domain coarsening in stoichiometric sputtered films is also consistent with curvature driven growth. However, coarsening in copper rich films proceeds much more slowly. The results suggest the extra copper affects the ordering kinetics in the same way diffusive impurities would, resulting in a logarithmic like time dependence. The M.B.E. films show a slowing of the growth at late times. The 4500A film starts out with curvature driven growth but then continuously slows down as the domains grow. The 710A film shows an interesting temperature dependence for the growth, in such a way that at temperatures close to the transition, the domain growth almost freezes at late times. The dominate factor is probably strain, all of the trends for slower growth are consistent with greater strain. The dimensionality in the M.B.E. film systems is considered. The scaling in the 4500A and 710A films is clearly three dimensional. However, the dimension of the scaling in the 260A film is unclear.
Effect of different air-drying time on the microleakage of single-step self-etch adhesives
Directory of Open Access Journals (Sweden)
Horieh Moosavi
2013-05-01
Full Text Available Objectives This study evaluated the effect of three different air-drying times on microleakage of three self-etch adhesive systems. Materials and Methods Class I cavities were prepared for 108 extracted sound human premolars. The teeth were divided into three main groups based on three different adhesives: Opti Bond All in One (OBAO, Clearfil S3 Bond (CSB, Bond Force (BF. Each main group divided into three subgroups regarding the air-drying time: without application of air stream, following the manufacturer's instruction, for 10 sec more than manufacturer's instruction. After completion of restorations, specimens were thermocycled and then connected to a fluid filtration system to evaluate microleakage. The data were statistically analyzed using two-way ANOVA and Tukey-test (α = 0.05. Results The microleakage of all adhesives decreased when the air-drying time increased from 0 sec to manufacturer's instruction (p < 0.001. The microleakage of BF reached its lowest values after increasing the drying time to 10 sec more than the manufacturer's instruction (p < 0.001. Microleakage of OBAO and CSB was significantly lower compared to BF in all three drying time (p < 0.001. Conclusions Increasing in air-drying time of adhesive layer in one-step self-etch adhesives caused reduction of microleakage, but the amount of this reduction may be dependent on the adhesive components of self-etch adhesives.
International Nuclear Information System (INIS)
Mason, Thomas G.; Lin, Min Y.
2003-01-01
We use time-resolved-small angle neutron scattering to study the kinetics of asphaltene nanoparticle aggregation in incompatible crude oil mixtures. We induce asphaltene aggregation by mixing asphaltene-rich Syrian crude oil (SACO) with a paraffinic British crude oil and observe the scattered neutron intensity, I, as a function of wave number, q, over times, t, ranging from twenty minutes to about a week. We observe a growth in I at low q as the nanoscale asphaltenes agglomerate into microscale aggregates and interpret this growth as an increase in surface scattering from the aggregates. We fit I(q,t) to an empirical model and measure the growth in the power-law exponent, α, associated with the low-q logarithmic slope of I(q). We define a time, τ α , associated with the first appearance of the aggregates when α>3; τ α increases as a function of the volume fraction, φ m , of SACO in the mixture. The surface scattering intensity initially increases and then saturates at long times when the aggregate structures no longer evolve at the length scales we probe. Based on this saturation, we define a time scale, τ I , which is larger than τ α but has essentially the same dependence on φ m . We interpret τ α (φ m ) and τ I (φ m ) in terms of a simple aggregation model based on diffusion-limited kinetics and a repulsive potential barrier that models the effective solvent quality
Deuteration kinetics of the graphene
Energy Technology Data Exchange (ETDEWEB)
Nefedov, Alexei; Woell, Christof [KIT, Leopoldshafen (Germany); Paris, Alessio; Calliari, Lucia [FBK-CMM, Trento (Italy); Verbitskiy, Nikolay [MSU, Moscow (Russian Federation); University of Vienna, Vienna (Austria); Wang, Ying; Irle, Stephan [Nagoya University, Nagoya (Japan); Fedorov, Alexander [IFW Dresden, Dresden (Germany); St. Petersburg University, St. Petersburg (Russian Federation); Haberer, Danny; Knupfer, Martin; Buechner, Bernd [IFW Dresden, Dresden (Germany); Oetzelt, Martin [BESSY II, Berlin (Germany); Petaccia, Luca [Elettra, Trieste (Italy); Usachov, Dmitry [St. Petersburg University, St. Petersburg (Russian Federation); Vyalikh, Denis [St. Petersburg University, St. Petersburg (Russian Federation); TU Dresden, Dresden (Germany); Sagdev, Hermann [MPI fuer Polymerforschung, Mainz (Germany); Yashina, Lada [MSU, Moscow (Russian Federation); Grueneis, Alexander [IFW Dresden, Dresden (Germany); University of Vienna, Vienna (Austria)
2013-07-01
The kinetics of the hydrogenation/deuteration reaction of graphene was studied by time-dependent x-ray photoemission spectroscopy (XPS). The graphene layer was then exposed to hydrogen or deuterium atomic gas beams, obtained by thermal cracking in a tungsten capillary at T=3000 K. After each step XPS of the C1s line was performed in order to measure H/C and D/C ratios. We have observed a strong kinetic isotope effect for the hydrogenation/deuteration reaction leading to substantially faster adsorption and higher maximum D/C ratios as compared to H/C (D/C 35% vs. H/C 25%).
Vas Bhat, R.D.; Kuipers, J.A.M.; Versteeg, G.F.
2000-01-01
An absorption model to study gas–liquid mass transfer accompanied by reversible two-step reactions in the liquid phase has been presented. This model has been used to determine mass transfer rates, enhancement factors and concentration profiles over a wide range of process conditions. Although
Vas bhat, R.D.; Kuipers, J.A.M.; Versteeg, Geert
2000-01-01
An absorption model to study gas¿liquid mass transfer accompanied by reversible two-step reactions in the liquid phase has been presented. This model has been used to determine mass transfer rates, enhancement factors and concentration profiles over a wide range of process conditions. Although
Energy Technology Data Exchange (ETDEWEB)
Shim, Jae-Hyeok, E-mail: jhshim@kist.re.kr [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996 (United States); High Temperature Energy Materials Research Center, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Povoden-Karadeniz, Erwin [Christian Doppler Laboratory for Early Stages of Precipitation, Vienna University of Technology, A-1040 Vienna (Austria); Kozeschnik, Ernst [Institute of Materials Science and Technology, Vienna University of Technology, A-1040 Vienna (Austria); Wirth, Brian D. [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996 (United States)
2015-07-15
Highlights: • We model the precipitation kinetics in irradiated 316 austenitic stainless steels. • Radiation-induced phases are predicted to form at over 10 dpa segregation conditions. • The Si content is the most critical for the formation of radiation-induced phases. - Abstract: The long-term evolution of precipitates in type 316 austenitic stainless steels at 400 °C has been simulated using a numerical model based on classical nucleation theory and the thermodynamic extremum principle. Particular attention has been paid to the precipitation of radiation-induced phases such as γ′ and G phases. In addition to the original compositions, the compositions for radiation-induced segregation at a dose level of 5, 10 or 20 dpa have been used in the simulation. In a 316 austenitic stainless steel, γ′ appears as the main precipitate with a small amount of G phase forming at 10 and 20 dpa. On the other hand, G phase becomes relatively dominant over γ′ at the same dose levels in a Ti-stabilized 316 austenitic stainless steel, which tends to suppress the formation of γ′. Among the segregated alloying elements, the concentration of Si seems to be the most critical for the formation of radiation-induced phases. An increase in dislocation density as well as increased diffusivity of Mn and Si significantly enhances the precipitation kinetics of the radiation-induced phases within this model.
Lewis, L K; Rowlands, A V; Gardiner, P A; Standage, M; English, C; Olds, T
2016-03-01
This study aimed to evaluate the preliminary effectiveness and feasibility of a theory-informed program to reduce sitting time in older adults. Pre-experimental (pre-post) study. Thirty non-working adult (≥ 60 years) participants attended a one hour face-to-face intervention session and were guided through: a review of their sitting time; normative feedback on sitting time; and setting goals to reduce total sitting time and bouts of prolonged sitting. Participants chose six goals and integrated one per week incrementally for six weeks. Participants received weekly phone calls. Sitting time and bouts of prolonged sitting (≥ 30 min) were measured objectively for seven days (activPAL3c inclinometer) pre- and post-intervention. During these periods, a 24-h time recall instrument was administered by computer-assisted telephone interview. Participants completed a post-intervention project evaluation questionnaire. Paired t tests with sequential Bonferroni corrections and Cohen's d effect sizes were calculated for all outcomes. Twenty-seven participants completed the assessments (71.7 ± 6.5 years). Post-intervention, objectively-measured total sitting time was significantly reduced by 51.5 min per day (p=0.006; d=-0.58) and number of bouts of prolonged sitting by 0.8 per day (p=0.002; d=-0.70). Objectively-measured standing increased by 39 min per day (p=0.006; d=0.58). Participants self-reported spending 96 min less per day sitting (p<0.001; d=-0.77) and 32 min less per day watching television (p=0.005; d=-0.59). Participants were highly satisfied with the program. The 'Small Steps' program is a feasible and promising avenue for behavioral modification to reduce sitting time in older adults. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.
International Nuclear Information System (INIS)
Pham, Nhu Viet Ha
2011-02-01
To predict the space-time dependent behavior of a nuclear reactor, the conventional space-dependent kinetics equations are widely used for treating the spatial variables. However, the solutions of such deterministic space-dependent kinetics equations, which give only the mean values of the neutron population and the delayed neutron precursor concentrations, do not offer sufficient insight into the actual dynamic processes within a reactor, where the interacting populations vary randomly with space and time. It is also noted that at high power levels, the random behavior of a reactor is negligible but at low power levels, such as at start-up, random fluctuations in population dynamics can be significant. To mathematically describe the evolution of the state of a nuclear reactor using a set of stochastic kinetics equations, the forward stochastic model (FSM) in stochastic kinetics theory is devised through the concept of reactor transition probability and its probability generating function as the spatial domain of a reactor is partitioned into a number of space cells. Nevertheless, the FSM equations for the mean value of neutron and precursor distribution are deterministic-like. Furthermore, the numerical treatment of the FSM equations for the means, variances, and covariances is quite complicated and time-consuming. In the present study, a generalized stochastic model (called the stochastic space-dependent kinetics model or SSKM) based on the FSM and the Its stochastic differential equations was newly developed for the analysis of monoenergetic spacetime nuclear reactor kinetics in one dimension. First, the FSM equations for determining the mean values of neutron and delayed-neutron precursor populations were considered as the deterministic ones without taking into account their variances and covariances. Second, the system of interest was randomized again in the light of the Its stochastic differential equations in order to derive the SSKM. The proposed model
A (2 d,3 v) cylindrical, kinetic model of a time-independent, collisionless bounded plasma
International Nuclear Information System (INIS)
Pedit, H.; Kuhn, S.
1994-01-01
A (2 d,3 v) cylindrical, electrostatic, collisionless kinetic model for a wide class of negative-bias de states of the single-ended Q machine is developed. Based on the method presented recently by the authors for an analogous cartesian model, the self-consistent plasma state is found by means of an iterative scheme in which the charge-density and potential distributions are alternately advanced. The electron an ion velocity distribution functions are calculated via trajectory integration, which ensures high accuracy and resolution in both configuration and velocity space. The main differences between cartesian and cylindrical geometry are discussed, and typical macroscopic as well as microscopic quantities for an exemplary special case are presented. (author). 3 refs, 5 figs
Jia, Hao-Ran; Wang, Hong-Yin; Yu, Zhi-Wu; Chen, Zhan; Wu, Fu-Gen
2016-03-16
Long-time stable plasma membrane imaging is difficult due to the fast cellular internalization of fluorescent dyes and the quick detachment of the dyes from the membrane. In this study, we developed a two-step synergistic cell surface modification and labeling strategy to realize long-time plasma membrane imaging. Initially, a multisite plasma membrane anchoring reagent, glycol chitosan-10% PEG2000 cholesterol-10% biotin (abbreviated as "GC-Chol-Biotin"), was incubated with cells to modify the plasma membranes with biotin groups with the assistance of the membrane anchoring ability of cholesterol moieties. Fluorescein isothiocyanate (FITC)-conjugated avidin was then introduced to achieve the fluorescence-labeled plasma membranes based on the supramolecular recognition between biotin and avidin. This strategy achieved stable plasma membrane imaging for up to 8 h without substantial internalization of the dyes, and avoided the quick fluorescence loss caused by the detachment of dyes from plasma membranes. We have also demonstrated that the imaging performance of our staining strategy far surpassed that of current commercial plasma membrane imaging reagents such as DiD and CellMask. Furthermore, the photodynamic damage of plasma membranes caused by a photosensitizer, Chlorin e6 (Ce6), was tracked in real time for 5 h during continuous laser irradiation. Plasma membrane behaviors including cell shrinkage, membrane blebbing, and plasma membrane vesiculation could be dynamically recorded. Therefore, the imaging strategy developed in this work may provide a novel platform to investigate plasma membrane behaviors over a relatively long time period.
Unterweger, K.
2015-01-01
© Springer International Publishing Switzerland 2015. We propose to couple our adaptive mesh refinement software PeanoClaw with existing solvers for complex overland flows that are tailored to regular Cartesian meshes. This allows us to augment them with spatial adaptivity and local time-stepping without altering the computational kernels. FullSWOF2D—Full Shallow Water Overland Flows—here is our software of choice though all paradigms hold for other solvers as well.We validate our hybrid simulation software in an artificial test scenario before we provide results for a large-scale flooding scenario of the Mecca region. The latter demonstrates that our coupling approach enables the simulation of complex “real-world” scenarios.
Energy Technology Data Exchange (ETDEWEB)
Cobb, J.W.
1995-02-01
There is an increasing need for more accurate numerical methods for large-scale nonlinear magneto-fluid turbulence calculations. These methods should not only increase the current state of the art in terms of accuracy, but should also continue to optimize other desired properties such as simplicity, minimized computation, minimized memory requirements, and robust stability. This includes the ability to stably solve stiff problems with long time-steps. This work discusses a general methodology for deriving higher-order numerical methods. It also discusses how the selection of various choices can affect the desired properties. The explicit discussion focuses on third-order Runge-Kutta methods, including general solutions and five examples. The study investigates the linear numerical analysis of these methods, including their accuracy, general stability, and stiff stability. Additional appendices discuss linear multistep methods, discuss directions for further work, and exhibit numerical analysis results for some other commonly used lower-order methods.
High Time-Resolved Kinetic Temperatures of Solar Wind Minor Ions Measured with SOHO/CELIAS/CTOF
Janitzek, N. P.; Berger, L.; Drews, C.; Wimmer-Schweingruber, R. F.
2017-12-01
Solar wind heavy ions with an atomic number Z > 2 are referred to as minor ions since they represent a fraction of less than one percent of all solar wind ions. They can be therefore regarded as test particles, only reacting to but not driving the dynamics of the solar wind plasma, which makes them a unique diagnostic tool for plasma wave phenomena both in the solar atmosphere and the extended heliosphere. In the past, several studies have investigated the kinetic temperatures of minor ions, but due to low counting statistics these studies are based on ion velocity distribution functions (VDFs) recorded over time periods of several hours. The Charge Time-Of-Flight (CTOF) mass spectrometer as part of the Charge, ELement and Isotope Analysis System (CELIAS) onboard the SOlar and Heliospheric Observatory (SOHO) provides solar wind heavy ion 1D radial VDFs with excellent charge state separation, an unprecedented cadence of 5 minutes and very high counting statistics, exceeding similar state-of-the-art instruments by a factor of ten. In our study, based on CTOF measurements at Langrangian point L1 between DOY 150 and DOY 220 in 1996, we investigate systematically the influence of the VDF time resolution on the derived kinetic temperatures for solar wind silicon and iron ions. The selected ion set spans a wide range of mass-per-charge from 3 amu/e heavy ions with ion-cyclotron waves.
International Nuclear Information System (INIS)
Csom, Gyula; Feher, Sandor; Szieberthj, Mate
2002-01-01
Nowadays the molten salt reactor (MSR) concept seems to revive as one of the most promising systems for the realization of transmutation. In the molten salt reactors and subcritical systems the fuel and material to be transmuted circulate dissolved in some molten salt. The main advantage of this reactor type is the possibility of the continuous feed and reprocessing of the fuel. In the present paper a novel molten salt reactor concept is introduced and its transmutation capabilities are studied. The goal is the development of a transmutation technique along with a device implementing it, which yield higher transmutation efficiencies than that of the known procedures and thus results in radioactive waste whose load on the environment is reduced both in magnitude and time length. The procedure is the multi-step time-scheduled transmutation, in which transformation is done in several consecutive steps of different neutron flux and spectrum. In the new MSR concept, named 'multi-region' MSR (MRMSR), the primary circuit is made up of a few separate loops, in which salt-fuel mixtures of different compositions are circulated. The loop sections constituting the core region are only neutronically and thermally coupled. This new concept makes possible the utilization of the spatial dependence of spectrum as well as the advantageous features of liquid fuel such as the possibility of continuous chemical processing etc. In order to compare a 'conventional' MSR and a proposed MRMSR in terms of efficiency, preliminary calculational results are shown. Further calculations in order to find the optimal implementation of this new concept and to emphasize its other advantageous features are going on. (authors)
Farazdaghi, Hadi
2011-02-01
Photosynthesis is the origin of oxygenic life on the planet, and its models are the core of all models of plant biology, agriculture, environmental quality and global climate change. A theory is presented here, based on single process biochemical reactions of Rubisco, recognizing that: In the light, Rubisco activase helps separate Rubisco from the stored ribulose-1,5-bisphosphate (RuBP), activates Rubisco with carbamylation and addition of Mg²(+), and then produces two products, in two steps: (Step 1) Reaction of Rubisco with RuBP produces a Rubisco-enediol complex, which is the carboxylase-oxygenase enzyme (Enco) and (Step 2) Enco captures CO₂ and/or O₂ and produces intermediate products leading to production and release of 3-phosphoglycerate (PGA) and Rubisco. PGA interactively controls (1) the carboxylation-oxygenation, (2) electron transport, and (3) triosephosphate pathway of the Calvin-Benson cycle that leads to the release of glucose and regeneration of RuBP. Initially, the total enzyme participates in the two steps of the reaction transitionally and its rate follows Michaelis-Menten kinetics. But, for a continuous steady state, Rubisco must be divided into two concurrently active segments for the two steps. This causes a deviation of the steady state from the transitional rate. Kinetic models are developed that integrate the transitional and the steady state reactions. They are tested and successfully validated with verifiable experimental data. The single-process theory is compared to the widely used two-process theory of Farquhar et al. (1980. Planta 149, 78-90), which assumes that the carboxylation rate is either Rubisco-limited at low CO₂ levels such as CO₂ compensation point, or RuBP regeneration-limited at high CO₂. Since the photosynthesis rate cannot increase beyond the two-process theory's Rubisco limit at the CO₂ compensation point, net photosynthesis cannot increase above zero in daylight, and since there is always respiration at
Kinetic Ising model in a time-dependent oscillating external magnetic field: effective-field theory
International Nuclear Information System (INIS)
Deviren, Bayram; Canko, Osman; Keskin, Mustafa
2010-01-01
Recently, Shi et al. [2008 Phys. Lett. A 372 5922] have studied the dynamical response of the kinetic Ising model in the presence of a sinusoidal oscillating field and presented the dynamic phase diagrams by using an effective-field theory (EFT) and a mean-field theory (MFT). The MFT results are in conflict with those of the earlier work of Tomé and de Oliveira, [1990 Phys. Rev. A 41 4251]. We calculate the dynamic phase diagrams and find that our results are similar to those of the earlier work of Tomé and de Oliveira; hence the dynamic phase diagrams calculated by Shi et al. are incomplete within both theories, except the low values of frequencies for the MFT calculation. We also investigate the influence of external field frequency (ω) and static external field amplitude (h 0 ) for both MFT and EFT calculations. We find that the behaviour of the system strongly depends on the values of ω and h 0 . (general)
Timing paradox of stepping and falls in ageing: not so quick and quick(er) on the trigger.
Rogers, Mark W; Mille, Marie-Laure
2016-08-15
Physiological and degenerative changes affecting human standing balance are major contributors to falls with ageing. During imbalance, stepping is a powerful protective action for preserving balance that may be voluntarily initiated in recognition of a balance threat, or be induced by an externally imposed mechanical or sensory perturbation. Paradoxically, with ageing and falls, initiation slowing of voluntary stepping is observed together with perturbation-induced steps that are triggered as fast as or faster than for younger adults. While age-associated changes in sensorimotor conduction, central neuronal processing and cognitive functions are linked to delayed voluntary stepping, alterations in the coupling of posture and locomotion may also prolong step triggering. It is less clear, however, how these factors may explain the accelerated triggering of induced stepping. We present a conceptual model that addresses this issue. For voluntary stepping, a disruption in the normal coupling between posture and locomotion may underlie step-triggering delays through suppression of the locomotion network based on an estimation of the evolving mechanical state conditions for stability. During induced stepping, accelerated step initiation may represent an event-triggering process whereby stepping is released according to the occurrence of a perturbation rather than to the specific sensorimotor information reflecting the evolving instability. In this case, errors in the parametric control of induced stepping and its effectiveness in stabilizing balance would be likely to occur. We further suggest that there is a residual adaptive capacity with ageing that could be exploited to improve paradoxical triggering and other changes in protective stepping to impact fall risk. © 2016 The Authors. The Journal of Physiology © 2016 The Physiological Society.
International Nuclear Information System (INIS)
Mascali, D.; Neri, L.; Castro, G.; Celona, L.; Gammino, S.; Torrisi, G.; Sorbello, G.
2015-01-01
Electron Cyclotron Resonance (ECR) ion Sources are the most performing machines for the production of intense beams of multi-charged ions in fundamental science, applied physics and industry. Investigation of plasma dynamics in ECRIS still remains a challenge. A better comprehension of electron heating, ionization and diffusion processes, ion confinement and ion beam formation is mandatory in order to increase ECRIS performances both in terms of output beams currents, charge states, beam quality (emittance minimization, beam halos suppression, etc.). Numerical solution of Vlasov equation via kinetic codes coupled to FEM solvers is ongoing at INFN-LNS, based on a PIC strategy. Preliminary results of the modeling will be shown about wave-plasma interaction and electron-ion confinement: the obtained results are very helpful to better understand the influence of the different parameters (especially RF frequency and power) on the ion beam formation mechanism. The most important clues coming out from the simulations are that although vacuum field RF field distribution (that is a cavity, modal field distribution) is perturbed by the plasma medium, the non-uniformity in the electric field amplitude still persists in the plasma filled cavity. This non-uniformity can be correlated with non-uniform plasma distribution, explaining a number of experimental observations
Cheng, Hsien C
2009-01-01
Half life and its derived pharmacokinetic parameters are calculated on an assumption that the terminal phase of drug disposition follows a constant rate of disposition. In reality, this assumption may not necessarily be the case. A new method is needed for analyzing PK parameters if the disposition does not follow a first order PK kinetic. Cumulative area under the concentration-time curve (AUC) is plotted against time to yield a hyperbolic (or sigmoidal) AUC-time relationship curve which is then analyzed by Hill's equation to yield AUC(inf), time to achieving AUC50% (T(AUC50%)) or AUC90% (T(AUC90%)), and the Hill's slope. From these parameters, an AUC-time relationship curve can be reconstructed. Projected plasma concentration can be calculated for any time point. Time at which cumulative AUC reaches 90% (T(AUC90%)) can be used as an indicator for expressing how fast a drug is cleared. Clearance is calculated in a traditional manner (i.v. dose/AUC(inf)), and the volume of distribution is proposed to be calculated at T(AUC50%) (0.5 i.v. dose/plasma concentration at T(AUC50%)). This method of estimating AUC is applicable for both i.v. and oral data. It is concluded that the Hill's equation can be used as an alternative method for estimating AUC and analysis of PK parameters if the disposition does not follow a first order kinetic. T(AUC90%) is proposed to be used as an indicator for expressing how fast a drug is cleared from the system.
Directory of Open Access Journals (Sweden)
Eun Seok Lee
2003-01-01
Full Text Available An axial turbine rotor cascade-shape optimization with unsteady passing wakes was performed to obtain an improved aerodynamic performance using an unsteady flow, Reynolds-averaged Navier-Stokes equations solver that was based on explicit, finite difference; Runge-Kutta multistage time marching; and the diagonalized alternating direction implicit scheme. The code utilized Baldwin-Lomax algebraic and k-ε turbulence modeling. The full approximation storage multigrid method and preconditioning were implemented as iterative convergence-acceleration techniques. An implicit dual-time stepping method was incorporated in order to simulate the unsteady flow fields. The objective function was defined as minimization of total pressure loss and maximization of lift, while the mass flow rate was fixed during the optimization. The design variables were several geometric parameters characterizing airfoil leading edge, camber, stagger angle, and inter-row spacing. The genetic algorithm was used as an optimizer, and the penalty method was introduced for combining the constraints with the objective function. Each individual's objective function was computed simultaneously by using a 32-processor distributedmemory computer. The optimization results indicated that only minor improvements are possible in unsteady rotor/stator aerodynamics by varying these geometric parameters.
Kinetic energy and angular momentum of free particles in the gyratonic pp-waves space-times
Maluf, J. W.; da Rocha-Neto, J. F.; Ulhoa, S. C.; Carneiro, F. L.
2018-06-01
Gyratonic pp-waves are exact solutions of Einstein’s equations that represent non-linear gravitational waves endowed with angular momentum. We consider gyratonic pp-waves that travel in the z direction and whose time dependence on the variable is given by Gaussians, so that the waves represent short bursts of gravitational radiation propagating in the z direction. We evaluate numerically the geodesics and velocities of free particles in the space-time of these waves, and find that after the passage of the waves both the kinetic energy and the angular momentum per unit mass of the particles are changed. Therefore there is a transfer of energy and angular momentum between the gravitational field and the free particles, so that the final values of the energy and angular momentum of the free particles may be smaller or larger in magnitude than the initial values.
Kinetics of the spin-2 Blume-Capel model under a time-dependent oscillating external field
International Nuclear Information System (INIS)
Keskin, M.; Canko, O.; Ertas, M.
2007-01-01
Within a mean-field approach and using the Glauber-type stochastic dynamics, we study the kinetics of the spin-2 Blume-Capel model in the presence of a time-varying (sinusoidal) magnetic field. We investigate the time dependence of the average order parameter and the behavior of the average order parameter in a period, which is also called the dynamic order parameter, as a function of the reduced temperature. The nature (continuous and discontinuous) of the transition is characterized by the dynamic order parameter. The dynamic phase transition points are obtained and the phase diagrams are presented in the reduced magnetic field amplitude and reduced temperature plane. The phase diagrams exhibit one dynamic tricritical point; besides a disordered and an ordered phases, there are three phase coexistence regions that are strongly dependent on the interaction parameter
Lian, Cheng; Zhao, Shuangliang; Liu, Honglai; Wu, Jianzhong
2016-11-28
Understanding the charging kinetics of electric double layers is of fundamental importance for the design and development of novel electrochemical devices such as supercapacitors and field-effect transistors. In this work, we study the dynamic behavior of room-temperature ionic liquids using a classical time-dependent density functional theory that accounts for the molecular excluded volume effects, the electrostatic correlations, and the dispersion forces. While the conventional models predict a monotonic increase of the surface charge with time upon application of an electrode voltage, our results show that dispersion between ions results in a non-monotonic increase of the surface charge with the duration of charging. Furthermore, we investigate the effects of van der Waals attraction between electrode/ionic-liquid interactions on the charging processes.
This presentation, Environmental Exposures and Health Risks in California Child Care Facilities: First Steps to Improve Environmental Health where Children Spend Time, was given at the NIEHS/EPA Children's Centers 2016 Webinar Series: Exposome.
Modelling time-dependent mechanical behaviour of softwood using deformation kinetics
DEFF Research Database (Denmark)
Engelund, Emil Tang; Svensson, Staffan
2010-01-01
The time-dependent mechanical behaviour (TDMB) of softwood is relevant, e.g., when wood is used as building material where the mechanical properties must be predicted for decades ahead. The established mathematical models should be able to predict the time-dependent behaviour. However, these models...... are not always based on the actual physical processes causing time-dependent behaviour and the physical interpretation of their input parameters is difficult. The present study describes the TDMB of a softwood tissue and its individual tracheids. A model is constructed with a local coordinate system that follows...... macroscopic viscoelasticity, i.e., the time-dependent processes are to a significant degree reversible....
International Nuclear Information System (INIS)
Omelyan, Igor; Kovalenko, Andriy
2013-01-01
We develop efficient handling of solvation forces in the multiscale method of multiple time step molecular dynamics (MTS-MD) of a biomolecule steered by the solvation free energy (effective solvation forces) obtained from the 3D-RISM-KH molecular theory of solvation (three-dimensional reference interaction site model complemented with the Kovalenko-Hirata closure approximation). To reduce the computational expenses, we calculate the effective solvation forces acting on the biomolecule by using advanced solvation force extrapolation (ASFE) at inner time steps while converging the 3D-RISM-KH integral equations only at large outer time steps. The idea of ASFE consists in developing a discrete non-Eckart rotational transformation of atomic coordinates that minimizes the distances between the atomic positions of the biomolecule at different time moments. The effective solvation forces for the biomolecule in a current conformation at an inner time step are then extrapolated in the transformed subspace of those at outer time steps by using a modified least square fit approach applied to a relatively small number of the best force-coordinate pairs. The latter are selected from an extended set collecting the effective solvation forces obtained from 3D-RISM-KH at outer time steps over a broad time interval. The MTS-MD integration with effective solvation forces obtained by converging 3D-RISM-KH at outer time steps and applying ASFE at inner time steps is stabilized by employing the optimized isokinetic Nosé-Hoover chain (OIN) ensemble. Compared to the previous extrapolation schemes used in combination with the Langevin thermostat, the ASFE approach substantially improves the accuracy of evaluation of effective solvation forces and in combination with the OIN thermostat enables a dramatic increase of outer time steps. We demonstrate on a fully flexible model of alanine dipeptide in aqueous solution that the MTS-MD/OIN/ASFE/3D-RISM-KH multiscale method of molecular dynamics
Directory of Open Access Journals (Sweden)
M. Wacławczyk
2017-11-01
Full Text Available In this paper we propose two approaches to estimating the turbulent kinetic energy (TKE dissipation rate, based on the zero-crossing method by Sreenivasan et al. (1983. The original formulation requires a fine resolution of the measured signal, down to the smallest dissipative scales. However, due to finite sampling frequency, as well as measurement errors, velocity time series obtained from airborne experiments are characterized by the presence of effective spectral cutoffs. In contrast to the original formulation the new approaches are suitable for use with signals originating from airborne experiments. The suitability of the new approaches is tested using measurement data obtained during the Physics of Stratocumulus Top (POST airborne research campaign as well as synthetic turbulence data. They appear useful and complementary to existing methods. We show the number-of-crossings-based approaches respond differently to errors due to finite sampling and finite averaging than the classical power spectral method. Hence, their application for the case of short signals and small sampling frequencies is particularly interesting, as it can increase the robustness of turbulent kinetic energy dissipation rate retrieval.
A 3D coarse-mesh time dependent code for nuclear reactor kinetic calculations
International Nuclear Information System (INIS)
Montagnini, B.; Raffaelli, P.; Sumini, M.; Zardini, D.M.
1996-01-01
A course-mesh code for time-dependent multigroup neutron diffusion calculation based on a direct integration scheme for the time dependence and a low order nodal flux expansion approximation for the space variables has been implemented as a fast tool for transient analysis. (Author)
Church, Timothy S
2016-11-01
The analysis plan and article in this issue of the Journal by Evenson et al. (Am J Epidemiol 2016;184(9):621-632) is well-conceived, thoughtfully conducted, and tightly written. The authors utilized the National Health and Nutrition Examination Survey data set to examine the association between accelerometer-measured physical activity level and mortality and found that meeting the 2013 federal Physical Activity Guidelines resulted in a 35% reduction in risk of mortality. The timing of these findings could not be better, given the ubiquitous nature of personal accelerometer devices. The masses are already equipped to routinely quantify their activity, and now we have the opportunity and responsibility to provide evidenced-based, tailored physical activity goals. We have evidenced-based physical activity guidelines, mass distribution of devices to track activity, and now scientific support indicating that meeting the physical activity goal, as assessed by these devices, has substantial health benefits. All of the pieces are in place to make physical inactivity a national priority, and we now have the opportunity to positively affect the health of millions of Americans. © The Author 2016. Published by Oxford University Press on behalf of the Johns Hopkins Bloomberg School of Public Health. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
Kapetas, Leon; Ngwenya, Bryne T; Macdonald, Alan M; Elphick, Stephen C
2011-07-15
Several recent studies have made use of continuous acid-base titration data to describe the surface chemistry of bacterial cells as a basis for accurately modelling metal adsorption to bacteria and other biomaterials of potential industrial importance. These studies do not share a common protocol; rather they titrate in different pH ranges and they use different stability criteria to define equilibration time during titration. In the present study we investigate the kinetics of bacterial titrations and test the effect they have on the derivation of functional group concentrations and acidity constants. We titrated suspensions of Pantoea agglomerans by varying the equilibration time between successive titrant additions until stability of 0.1 or 0.001 mV s(-1) was attained. We show that under longer equilibration times, titration results are less reproducible and suspensions exhibit marginally higher buffering. Fluorescence images suggest that cell lysis is not responsible for these effects. Rather, high DOC values and titration reversibility hysterisis after long equilibration times suggest that variability in buffering is due to the presence of bacterial exudates, as demonstrated by titrating supernatants separated from suspensions of different equilibration times. It is recommended that an optimal equilibration time is always determined with variable stability control and preliminary reversibility titration experiments. Copyright © 2011 Elsevier Inc. All rights reserved.
Identification of Dobrava, Hantaan, Seoul, and Puumala viruses by one-step real-time RT-PCR.
Aitichou, Mohamed; Saleh, Sharron S; McElroy, Anita K; Schmaljohn, C; Ibrahim, M Sofi
2005-03-01
We developed four assays for specifically identifying Dobrava (DOB), Hantaan (HTN), Puumala (PUU), and Seoul (SEO) viruses. The assays are based on the real-time one-step reverse transcriptase polymerase chain reaction (RT-PCR) with the small segment used as the target sequence. The detection limits of DOB, HTN, PUU, and SEO assays were 25, 25, 25, and 12.5 plaque-forming units, respectively. The assays were evaluated in blinded experiments, each with 100 samples that contained Andes, Black Creek Canal, Crimean-Congo hemorrhagic fever, Rift Valley fever and Sin Nombre viruses in addition to DOB, HTN, PUU and SEO viruses. The sensitivity levels of the DOB, HTN, PUU, and SEO assays were 98%, 96%, 92% and 94%, respectively. The specificity of DOB, HTN and SEO assays was 100% and the specificity of the PUU assay was 98%. Because of the high levels of sensitivity, specificity, and reproducibility, we believe that these assays can be useful for diagnosing and differentiating these four Old-World hantaviruses.
A two-step real-time PCR assay for quantitation and genotyping of human parvovirus 4.
Väisänen, E; Lahtinen, A; Eis-Hübinger, A M; Lappalainen, M; Hedman, K; Söderlund-Venermo, M
2014-01-01
Human parvovirus 4 (PARV4) of the family Parvoviridae was discovered in a plasma sample of a patient with an undiagnosed acute infection in 2005. Currently, three PARV4 genotypes have been identified, however, with an unknown clinical significance. Interestingly, these genotypes seem to differ in epidemiology. In Northern Europe, USA and Asia, genotypes 1 and 2 have been found to occur mainly in persons with a history of injecting drug use or other parenteral exposure. In contrast, genotype 3 appears to be endemic in sub-Saharan Africa, where it infects children and adults without such risk behaviour. In this study, a novel straightforward and cost-efficient molecular assay for both quantitation and genotyping of PARV4 DNA was developed. The two-step method first applies a single-probe pan-PARV4 qPCR for screening and quantitation of this relatively rare virus, and subsequently, only the positive samples undergo a real-time PCR-based multi-probe genotyping. The new qPCR-GT method is highly sensitive and specific regardless of the genotype, and thus being suitable for studying the clinical impact and occurrence of the different PARV4 genotypes. Copyright © 2013 Elsevier B.V. All rights reserved.
Directory of Open Access Journals (Sweden)
Daniel Junker
2012-01-01
Full Text Available Objectives. To evaluate prostate cancer (PCa detection rates of real-time elastography (RTE in dependence of tumor size, tumor volume, localization and histological type. Materials and Methods. Thirdy-nine patients with biopsy proven PCa underwent RTE before radical prostatectomy (RPE to assess prostate tissue elasticity, and hard lesions were considered suspicious for PCa. After RPE, the prostates were prepared as whole-mount step sections and were compared with imaging findings for analyzing PCa detection rates. Results. RTE detected 6/62 cancer lesions with a maximum diameter of 0–5 mm (9.7%, 10/37 with a maximum diameter of 6–10 mm (27%, 24/34 with a maximum diameter of 11–20 20 mm (70.6%, 14/14 with a maximum diameter of >20 mm (100% and 40/48 with a volume ≥0.2 cm3 (83.3%. Regarding cancer lesions with a volume ≥ 0.2 cm³ there was a significant difference in PCa detection rates between Gleason scores with predominant Gleason pattern 3 compared to those with predominant Gleason pattern 4 or 5 (75% versus 100%; P=0.028. Conclusions. RTE is able to detect PCa of significant tumor volume and of predominant Gleason pattern 4 or 5 with high confidence, but is of limited value in the detection of small cancer lesions.
Covariant description of kinetic freeze-out through a finite time-like layer
International Nuclear Information System (INIS)
Molnar, E; Csernai, L P; Magas, V K; Lazar, Zs I; NyIri, A; Tamosiunas, K
2007-01-01
The freeze-out (FO) problem is addressed for a covariant FO probability and a finite FO layer with a time-like normal vector continuing the line of studies introduced in Molnar et al (2006 Phys. Rev. C 74 024907). The resulting post-FO momentum distribution functions are presented and discussed. We show that in general the post-FO distributions are non-thermal and asymmetric distributions even for time-like FO situations
Gillet, P; Rapaille, A; Benoît, A; Ceinos, M; Bertrand, O; de Bouyalsky, I; Govaerts, B; Lambermont, M
2015-01-01
Whole blood donation is generally safe although vasovagal reactions can occur (approximately 1%). Risk factors are well known and prevention measures are shown as efficient. This study evaluates the impact of the donor's retention in relation to the occurrence of vasovagal reaction for the first three blood donations. Our study of data collected over three years evaluated the impact of classical risk factors and provided a model including the best combination of covariates predicting VVR. The impact of a reaction at first donation on return rate and complication until the third donation was evaluated. Our data (523,471 donations) confirmed the classical risk factors (gender, age, donor status and relative blood volume). After stepwise variable selection, donor status, relative blood volume and their interaction were the only remaining covariates in the model. Of 33,279 first-time donors monitored over a period of at least 15 months, the first three donations were followed. Data emphasised the impact of complication at first donation. The return rate for a second donation was reduced and the risk of vasovagal reaction was increased at least until the third donation. First-time donation is a crucial step in the donors' career. Donors who experienced a reaction at their first donation have a lower return rate for a second donation and a higher risk of vasovagal reaction at least until the third donation. Prevention measures have to be processed to improve donor retention and provide blood banks with adequate blood supply. Copyright © 2015 Elsevier Masson SAS. All rights reserved.
Okubo, Yoshiro; Schoene, Daniel; Lord, Stephen R
2017-04-01
To examine the effects of stepping interventions on fall risk factors and fall incidence in older people. Electronic databases (PubMed, EMBASE, CINAHL, Cochrane, CENTRAL) and reference lists of included articles from inception to March 2015. Randomised (RCT) or clinical controlled trials (CCT) of volitional and reactive stepping interventions that included older (minimum age 60) people providing data on falls or fall risk factors. Meta-analyses of seven RCTs (n=660) showed that the stepping interventions significantly reduced the rate of falls (rate ratio=0.48, 95% CI 0.36 to 0.65, prisk ratio=0.51, 95% CI 0.38 to 0.68, pfalls and proportion of fallers. A meta-analysis of two RCTs (n=62) showed that stepping interventions significantly reduced laboratory-induced falls, and meta-analysis findings of up to five RCTs and CCTs (n=36-416) revealed that stepping interventions significantly improved simple and choice stepping reaction time, single leg stance, timed up and go performance (pfalls among older adults by approximately 50%. This clinically significant reduction may be due to improvements in reaction time, gait, balance and balance recovery but not in strength. Further high-quality studies aimed at maximising the effectiveness and feasibility of stepping interventions are required. CRD42015017357. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.
Neff, H.; Laborde, H. M.; Lima, A. M. N.
2016-11-01
An oscillatory molecular adsorption pattern of the protein neutravidin from aqueous solution onto gold, in presence of a pre-deposited self assembled mono-molecular biotin film, is reported. Real time surface Plasmon resonance sensing was utilized for evaluation of the adsorption kinetics. Two different fractions were identified: in the initial phase, protein molecules attach irreversibly onto the Biotin ligands beneath towards the jamming limit, forming a neutravidin-biotin fraction. Afterwards, the growth rate exhibits distinct, albeit damped adsorption-desorption oscillations over an extended time span, assigned to a quasi reversibly bound fraction. These findings agree with, and firstly confirm a previously published model, proposing macro-molecular adsorption with time delay. The non-linear dynamic model is applicable to and also resembles non-damped oscillatory binding features of the hetero-catalytic oxidation of carbon monoxide molecules on platinum in the gas phase. An associated surface residence time can be linked to the dynamics and time scale required for self-organization.
Multidimensional space-time kinetics of a heavy water moderated nuclear reactor
International Nuclear Information System (INIS)
Winn, W.G.; Baumann, N.P.; Jewell, C.E.
1980-01-01
Diffusion theory analysis of a series of multidimensional space-time experiments is appraised in terms of the final experiment of the series. In particular, TRIMHX diffusion calculations were examined for an experiment involving free-fall insertion of a 235 U-bearing rod into a heavy water moderated reactor with a large reflector. The experimental transient flux-tilts were accurately reproduced after cross section adjustments forced agreement between static diffusion calculations and static reactor measurements. The time-dependent features were particularly well modeled, and the bulk of the small discrepancies in space-dependent features should be removable by more refined cross-section adjustments. This experiment concludes a series of space-time experiments that span a wide range of delayed neutron holdback effects. TRIMHX calculations of these experiments demonstrate the accuracy of the modeling employed in the code
Narumi, Takayuki; Tokuyama, Michio
2017-03-01
For short-range attractive colloids, the phase diagram of the kinetic glass transition is studied by time-convolutionless mode-coupling theory (TMCT). Using numerical calculations, TMCT is shown to recover all the remarkable features predicted by the mode-coupling theory for attractive colloids: the glass-liquid-glass reentrant, the glass-glass transition, and the higher-order singularities. It is also demonstrated through the comparisons with the results of molecular dynamics for the binary attractive colloids that TMCT improves the critical values of the volume fraction. In addition, a schematic model of three control parameters is investigated analytically. It is thus confirmed that TMCT can describe the glass-glass transition and higher-order singularities even in such a schematic model.
AlRamadan, Abdullah S.; Badra, Jihad; Javed, Tamour; Alabbad, Mohammed; Bokhumseen, Nehal; Gaillard, Patrick; Babiker, Hassan; Farooq, Aamir; Sarathy, Mani
2015-01-01
work, the effect of mixed butanols addition to gasoline surrogates has been investigated in a high-pressure shock tube facility. The ignition delay times of mixed butanols stoichiometric mixtures were measured at 20 and 40bar over a temperature range
Photobleaching kinetics and time-integrated emission of fluorescent probes in cellular membranes
DEFF Research Database (Denmark)
Wüstner, Daniel; Christensen, Tanja; Solanko, Lukasz Michal
2014-01-01
Since the pioneering work of Hirschfeld, it is known that time-integrated emission (TiEm) of a fluorophore is independent of fluorescence quantum yield and illumination intensity. Practical implementation of this important result for determining exact probe distribution in living cells is often h...
Byun, Hye Suk; El-Naggar, Mohamed Y.; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya
2017-10-01
Kinetic Monte Carlo (KMC) simulations are used to study long-time dynamics of a wide variety of systems. Unfortunately, the conventional KMC algorithm is not scalable to larger systems, since its time scale is inversely proportional to the simulated system size. A promising approach to resolving this issue is the synchronous parallel KMC (SPKMC) algorithm, which makes the time scale size-independent. This paper introduces a formal derivation of the SPKMC algorithm based on local transition-state and time-dependent Hartree approximations, as well as its scalable parallel implementation based on a dual linked-list cell method. The resulting algorithm has achieved a weak-scaling parallel efficiency of 0.935 on 1024 Intel Xeon processors for simulating biological electron transfer dynamics in a 4.2 billion-heme system, as well as decent strong-scaling parallel efficiency. The parallel code has been used to simulate a lattice of cytochrome complexes on a bacterial-membrane nanowire, and it is broadly applicable to other problems such as computational synthesis of new materials.
Irradiation at different times of the day. Morphology and kinetics of the small intestine
Energy Technology Data Exchange (ETDEWEB)
Becciolini, A; Cremonini, D; Balzi, M; Fabbrica, D; Cinotti, S [Florence Univ. (Italy). Ist. di Radiologia
1982-01-01
Rats were irradiated at different times of the day with sublethal doses on the abdomen only, and qualitative and quantitative morphologic modifications were determined. The experiments seemed to demonstrate that in the groups irradiated at night and at the end of the light period early injury is not severe whereas in the group irradiated at the end of the dark period repair of the injury seems to be more effective.
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics
Wehmeyer, Christoph; Noé, Frank
2018-06-01
Inspired by the success of deep learning techniques in the physical and chemical sciences, we apply a modification of an autoencoder type deep neural network to the task of dimension reduction of molecular dynamics data. We can show that our time-lagged autoencoder reliably finds low-dimensional embeddings for high-dimensional feature spaces which capture the slow dynamics of the underlying stochastic processes—beyond the capabilities of linear dimension reduction techniques.
Kinetics of the stress induced phase transition in quartz by real-time neutron scattering
International Nuclear Information System (INIS)
Gibhardt, H.; Eckold, G.; Guethoff, F.
1999-01-01
Complete text of publication follows. The stability regime of the incommensurate phase of quartz is influenced by uniaxial stress. Hence, the phase transition can be induced under isothermal conditions by the application of external mechanical forces. Using real-time neutron scattering the time evolution of structural changes is investigated id detail during stress variations. The time dependent behaviour of the satellite reflection is compared with that one of the fundamental Bragg reflection which - via primary extinction - gives information about the perfection of the crystal. On increasing stress the perfection of the lattice is destroyed immediately while the modulated structure is built up with a delay of about 1 s. Decreasing the stress leads to a reverse behaviour. Moreover, there is evidence that under periodical load residual non-relaxed strain fields survive leading to a different temperature dependence as compared to static conditions. This finding is compatible with pronounced hysteresis effects observed under cycling stress. It is argued that these residual strains are associated with non-relaxed topological 4-line defects, that drive the structural changes in quartz (1). (author)
Post-curing conversion kinetics as functions of the irradiation time and increment thickness
Directory of Open Access Journals (Sweden)
Nicola Scotti
2013-04-01
Full Text Available Objective: This study evaluated the variation of conversion degree (DC in the 12 hours following initial photoactivation of a low-shrinkage composite resin (Venus Diamond. Material and Methods: The conversion degree was monitored for 12 hours using Attenuated Total Reflection (ATR F-TIR Spectroscopy. The composite was placed in 1 or 2 mm rings and cured for 10 or 20 seconds with a LED lamp. ATR spectra were acquired from the bottom surface of each sample immediately after the initial photoactivation (P=0, 30 minutes (P=0.5 and 12 hours after photoactivation (P=12 in order to obtain the DC progression during the post-curing period. Interactions between thickness (T, irradiation time (I and post-curing (P on the DC were calculated through ANOVA testing. Results: All the first order interactions were statistically significant, with the exception of the T-P interaction. Furthermore, the shift from P=0 to P=0.5 had a statistically higher influence than the shift from P=0.5 to P=12. The post-curing period played a fundamental role in reaching higher DC values with the low-shrinkage composite resin tested in this study. Moreover, both the irradiation time and the composite thickness strongly influenced the DC. Conclusions: Increased irradiation time may be useful in obtaining a high conversion degree (DC with a low-shrinkage nano-hybrid composite resin, particularly with 2 mm composite layers.
Kinetic behaviours of aggregate growth driven by time-dependent migration, birth and death
International Nuclear Information System (INIS)
Zhu Shengqing; Yang Shunyou; Ke Jianhong; Lin Zhenquan
2008-01-01
We propose a dynamic growth model to mimic some social phenomena, such as the evolution of cities' population, in which monomer migrations occur between any two aggregates and monomer birth/death can simultaneously occur in each aggregate. Considering the fact that the rate kernels of migration, birth and death processes may change with time, we assume that the migration rate kernel is ijf(t), and the self-birth and death rate kernels are ig 1 (t) and ig 2 (t), respectively. Based on the mean-field rate equation, we obtain the exact solution of this model and then discuss semi-quantitatively the scaling behaviour of the aggregate size distribution at large times. The results show that in the long-time limit, (i) if ∫ t 0 g 1 (t') dt'/∫ t 0 g 2 (t') dt' ≥ 1 or exp{∫ t 0 [g 2 (t') - g 1 (t')] dt'}/∫ t 0 f(t') dt' → 0, the aggregate size distribution a k (t) can obey a generalized scaling form; (ii) if ∫ t 0 g 1 (t') dt'/∫ t 0 g 2 (t') dt' → 0 and exp ∫ t 0 [g 2 (t') - g 1 (t') dt'/∫ t 0 f(t') dt' → ∞, a k (t) can take a scale-free form and decay exponentially in size k; (iii) a k (t) will satisfy a modified scaling law in the remaining cases. Moreover, the total mass of aggregates depends strongly on the net birth rate g 1 (t) - g 2 (t) and evolves exponentially as exp{∫ t 0 [g 1 (t') - g 2 (t')] dt'}, which is in qualitative agreement with the evolution of the total population of a country in real world
Melzer, I; Krasovsky, T; Oddsson, L I E; Liebermann, D G
2010-12-01
This study investigated the force-time relationship during the push-off stage of a rapid voluntary step in young and older healthy adults, to study the assumption that when balance is lost a quick step may preserve stability. The ability to achieve peak propulsive force within a short time is critical for the performance of such a quick powerful step. We hypothesized that older adults would achieve peak force and power in significantly longer times compared to young people, particularly during the push-off preparatory phase. Fifteen young and 15 older volunteers performed rapid forward steps while standing on a force platform. Absolute anteroposterior and body weight normalized vertical forces during the push-off in the preparation and swing phases were used to determine time to peak and peak force, and step power. Two-way analyses of variance ('Group' [young-older] by 'Phase' [preparation-swing]) were used to assess our hypothesis (P ≤ 0.05). Older people exerted lower peak forces (anteroposterior and vertical) than young adults, but not necessarily lower peak power. More significantly, they showed a longer time to peak force, particularly in the vertical direction during the preparation phase. Older adults generate propulsive forces slowly and reach lower magnitudes, mainly during step preparation. The time to achieve a peak force and power, rather than its actual magnitude, may account for failures in quickly performing a preventive action. Such delay may be associated with the inability to react and recruit muscles quickly. Thus, training elderly to step fast in response to relevant cues may be beneficial in the prevention of falls. Copyright © 2010 Elsevier Ltd. All rights reserved.
Lindsay, Daniel B; Devine, Sue; Sealey, Rebecca M; Leicht, Anthony S
2016-08-15
Interventions to increase physical activity and reduce sedentary behaviours within the workplace have been previously investigated. However, the evolution of these constructs without intervention has not been well documented. This retrospective study explored the natural progression or time kinetics of physical activity, sedentary behaviours and quality of life in a professional skilled workplace where focussed interventions were lacking. Participants (n = 346) employed as full-time staff members at a regional university completed an online survey in 2013 assessing physical activity and sedentary behaviours via the International Physical Activity Questionnaire, and quality of life via the Short-Form 36v2 questionnaire. Differences between that cohort of participants and an initial sample of similar participants (2009, n = 297), accounting for gender and staff categories (academic vs. professional), were examined using ANCOVAs with working hours as a co-variate. In comparison to the initial cohort, the follow-up cohort reported significantly less leisure-time, total walking, total vigorous and total physical activity levels, and lower overall physical health for quality of life (p productivity and health at a greater rate than that currently reported. Workplace interventions targeting sedentary behaviours and physical activity should be actively incorporated into organisations to counteract the alarming behavioural trends found in this study to maintain and/or enhance employee health and productivity.
Peirce, Courtney A E; Priest, Craig; McBeath, Therese M; McLaughlin, Mike J
2016-01-07
The delivery and uptake of nutrients at the surface of plant leaves is an important physicochemical phenomenon that depends on leaf surface morphology and chemistry, fertilizer formulation chemistry (including adjuvant and associated surfactants), wetting dynamics, and many other physical, chemical and biological factors. In this study, the role of spreading dynamics in determining uptake of the macronutrient phosphorus from phosphoric acid fertilizer solution in combination with three different adjuvants was measured in the absence of droplet run-off and splashing. When run-off and splashing losses were zero, spreading and drying rates had a small to negligible effect on the uptake efficiency. The results suggest that uptake may be much less sensitive to the specific choice of adjuvant and long time-scale spreading behaviour than one might intuitively expect.
Directory of Open Access Journals (Sweden)
Craig Cora L
2011-06-01
Full Text Available Abstract Background This study examines associations between pedometer-determined steps/day and parent-reported child's Body Mass Index (BMI and time typically spent watching television between school and dinner. Methods Young people (aged 5-19 years were recruited through their parents by random digit dialling and mailed a data collection package. Information on height and weight and time spent watching television between school and dinner on a typical school day was collected from parents. In total, 5949 boys and 5709 girls reported daily steps. BMI was categorized as overweight or obese using Cole's cut points. Participants wore pedometers for 7 days and logged daily steps. The odds of being overweight and obese by steps/day and parent-reported time spent television watching were estimated using logistic regression for complex samples. Results Girls had a lower median steps/day (10682 versus 11059 for boys and also a narrower variation in steps/day (interquartile range, 4410 versus 5309 for boys. 11% of children aged 5-19 years were classified as obese; 17% of boys and girls were overweight. Both boys and girls watched, on average, Discussion Television viewing is the more prominent factor in terms of predicting overweight, and it contributes to obesity, but steps/day attenuates the association between television viewing and obesity, and therefore can be considered protective against obesity. In addition to replacing opportunities for active alternative behaviours, exposure to television might also impact body weight by promoting excess energy intake. Conclusions In this large nationally representative sample, pedometer-determined steps/day was associated with reduced odds of being obese (but not overweight whereas each parent-reported hour spent watching television between school and dinner increased the odds of both overweight and obesity.
Sadygov, Rovshan G; Maroto, Fernando Martin; Hühmer, Andreas F R
2006-12-15
We present an algorithmic approach to align three-dimensional chromatographic surfaces of LC-MS data of complex mixture samples. The approach consists of two steps. In the first step, we prealign chromatographic profiles: two-dimensional projections of chromatographic surfaces. This is accomplished by correlation analysis using fast Fourier transforms. In this step, a temporal offset that maximizes the overlap and dot product between two chromatographic profiles is determined. In the second step, the algorithm generates correlation matrix elements between full mass scans of the reference and sample chromatographic surfaces. The temporal offset from the first step indicates a range of the mass scans that are possibly correlated, then the correlation matrix is calculated only for these mass scans. The correlation matrix carries information on highly correlated scans, but it does not itself determine the scan or time alignment. Alignment is determined as a path in the correlation matrix that maximizes the sum of the correlation matrix elements. The computational complexity of the optimal path generation problem is reduced by the use of dynamic programming. The program produces time-aligned surfaces. The use of the temporal offset from the first step in the second step reduces the computation time for generating the correlation matrix and speeds up the process. The algorithm has been implemented in a program, ChromAlign, developed in C++ language for the .NET2 environment in WINDOWS XP. In this work, we demonstrate the applications of ChromAlign to alignment of LC-MS surfaces of several datasets: a mixture of known proteins, samples from digests of surface proteins of T-cells, and samples prepared from digests of cerebrospinal fluid. ChromAlign accurately aligns the LC-MS surfaces we studied. In these examples, we discuss various aspects of the alignment by ChromAlign, such as constant time axis shifts and warping of chromatographic surfaces.
Thermodynamic, kinetic and mechanistic investigations of ...
Indian Academy of Sciences (India)
with respect to the rate determining step and the thermodynamic quantities with respect to the equilibrium steps were evaluated and ... are, (1) to establish a rate law through kinetic measure- ments, (2) to ..... second and third equilibrium steps.
Kinetics of the main phase transition of hydrated lecithin monitored by real-time x-ray diffraction
International Nuclear Information System (INIS)
Caffrey, M.; Bilderback, D.H.
1984-01-01
A method is described for observing and recording in real-time x-ray diffraction from an unoriented hydrated membrane lipid, dipalmitoylphosphatidylcholine (DPPC), through its thermotropic gel/liquid crystal phase transition. Synchrotron radiation from the Cornell High Energy Synchrotron Source (Ithaca, New York) was used as an x-ray source of extremely high brilliance and the dynamic display of the diffraction image was effected using a three-stage image intensifier tube coupled to an external fluorescent screen. The image on the output phosphor was sufficiently intense to be recorded cinematographically and to be displayed on a television monitor using a vidicon camera at 30 frames x s -1 . These measurements set an upper limit of 2 s on the DPPC gel → liquid crystal phase transition and indicate that the transition is a two-state process. The real-time method couples the power of x-ray diffraction as a structural probe with the ability to follow kinetics of structural changes. The method does not require an exogenous probe, is relatively nonperturbing, and can be used with membranes in a variety of physical states and with unstable samples. The method has the additional advantage over its static measurement counterpart in that it is more likely to detect transiently stable intermediates if present
Panthu, Baptiste; Ohlmann, Théophile; Perrier, Johan; Schlattner, Uwe; Jalinot, Pierre; Elena-Herrmann, Bénédicte; Rautureau, Gilles J P
2018-01-19
A counterintuitive cell-free protein synthesis (CFPS) strategy, based on reducing the ribosomal fraction in rabbit reticulocyte lysate (RRL), triggers the development of hybrid systems composed of RRL ribosome-free supernatant complemented with ribosomes from different mammalian cell-types. Hybrid RRL systems maintain translational properties of the original ribosome cell types, and deliver protein expression levels similar to RRL. Here, we show that persistent ribosome-associated metabolic activity consuming ATP is a major obstacle for maximal protein yield. We provide a detailed picture of hybrid CFPS systems energetic metabolism based on real-time nuclear magnetic resonance (NMR) investigation of metabolites kinetics. We demonstrate that protein synthesis capacity has an upper limit at native ribosome concentration and that lower amounts of the ribosomal fraction optimize energy fluxes toward protein translation, consequently increasing CFPS yield. These results provide a rationalized strategy for further mammalian CFPS developments and reveal the potential of real-time NMR metabolism phenotyping for optimization of cell-free protein expression systems.
Mertens, Christopher J.; Russell III, James M.; Mlynczak, Martin G.; She, Chiao-Yao; Schmidlin, Francis J.; Goldberg, Richard A.; Lopez-Puertas, Manuel; Wintersteiner, Peter P.; Picard, Richard H.; Winick, Jeremy R.;
2008-01-01
The Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) experiment is one of four instruments on NASA's Thermosphere-Ionosphere-Energetics and Dynamics (TIMED) satellite. SABER measures broadband infrared limb emission and derives vertical profiles of kinetic temperature (Tk) from the lower stratosphere to approximately 120 km, and vertical profiles of carbon dioxide (CO2) volume mixing ratio (vmr) from approximately 70 km to 120 km. In this paper we report on SABER Tk/CO2 data in the mesosphere and lower thermosphere (MLT) region from the version 1.06 dataset. The continuous SABER measurements provide an excellent dataset to understand the evolution and mechanisms responsible for the global two-level structure of the mesopause altitude. SABER MLT Tk comparisons with ground-based sodium lidar and rocket falling sphere Tk measurements are generally in good agreement. However, SABER CO2 data differs significantly from TIME-GCM model simulations. Indirect CO2 validation through SABER-lidar MLT Tk comparisons and SABER-radiation transfer comparisons of nighttime 4.3 micron limb emission suggest the SABER-derived CO2 data is a better representation of the true atmospheric MLT CO2 abundance compared to model simulations of CO2 vmr.
Multiple-step fault estimation for interval type-II T-S fuzzy system of hypersonic vehicle with time-varying elevator faults
Directory of Open Access Journals (Sweden)
Jin Wang
2017-03-01
Full Text Available This article proposes a multiple-step fault estimation algorithm for hypersonic flight vehicles that uses an interval type-II Takagi–Sugeno fuzzy model. An interval type-II Takagi–Sugeno fuzzy model is developed to approximate the nonlinear dynamic system and handle the parameter uncertainties of hypersonic firstly. Then, a multiple-step time-varying additive fault estimation algorithm is designed to estimate time-varying additive elevator fault of hypersonic flight vehicles. Finally, the simulation is conducted in both aspects of modeling and fault estimation; the validity and availability of such method are verified by a series of the comparison of numerical simulation results.
Directory of Open Access Journals (Sweden)
Daniel B. Lindsay
2016-08-01
Full Text Available Abstract Background Interventions to increase physical activity and reduce sedentary behaviours within the workplace have been previously investigated. However, the evolution of these constructs without intervention has not been well documented. This retrospective study explored the natural progression or time kinetics of physical activity, sedentary behaviours and quality of life in a professional skilled workplace where focussed interventions were lacking. Methods Participants (n = 346 employed as full-time staff members at a regional university completed an online survey in 2013 assessing physical activity and sedentary behaviours via the International Physical Activity Questionnaire, and quality of life via the Short-Form 36v2 questionnaire. Differences between that cohort of participants and an initial sample of similar participants (2009, n = 297, accounting for gender and staff categories (academic vs. professional, were examined using ANCOVAs with working hours as a co-variate. Results In comparison to the initial cohort, the follow-up cohort reported significantly less leisure-time, total walking, total vigorous and total physical activity levels, and lower overall physical health for quality of life (p < 0.05. In contrast, the follow-up cohort reported a significantly greater weekly sitting time, greater mental health scores for quality of life and greater total moderate physical activity levels (p < 0.05 compared to the initial cohort. Conclusions Over a 4-year timeframe and without focussed workplace interventions, total physical activity levels were lower with sedentary behaviours greater at a rate twice that reported previously. Continuation of these undesirable health behaviours may impact negatively on worker productivity and health at a greater rate than that currently reported. Workplace interventions targeting sedentary behaviours and physical activity should be actively incorporated into organisations to
Khemiri, Rania; Côté, Jonathan; Fetoui, Hamadi; Bouchard, Michèle
2017-07-05
Lambda-cyhalothrin is a pyrethroid pesticide largely used in agriculture. Exposure assessment can be performed by measuring key urinary metabolites. For a proper use of biomonitoring data, it is however important to gain information on the toxicokinetics of these key biomarkers of exposure. A human volunteer study was performed to document the plasma and urinary time courses of major lambda-cyhalothrin metabolites. Seven volunteers ingested 0.025mgkg -1 body weight of lambda-cyhalothrin. Blood samples were withdrawn prior to dosing and at fixed time periods over the 72 h-period following ingestion and complete urine voids were collected pre-exposure and at pre-established intervals over 84h post-dosing. The cis-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid (CFMP) and 3-phenoxybenzoic acid (3-PBA) metabolites were quantified in these samples. Plasma concentrations of CFMP and 3-PBA increased rapidly after ingestion, with average peak values at 3.1 and 4.0h post-dosing, respectively; subsequent elimination phase showed a rapid decay with a mean half-life (t ½ ) of ≈5.3 and 6.4h for CFMP and 3-PBA, respectively. Urinary rate time courses displayed a profile similar to the plasma concentration-time curves with corresponding mean t ½ of ≈4.2 and 5.9h. In the 84-h period post-treatment, on average 21% of lambda-cyhalothrin dose were excreted in urine as CFMP as compared to 30% as 3-PBA. Overall, CFMP and 3-PBA metabolites were confirmed to be major metabolites of lambda-cyhalothrin and exhibited similar kinetics with short half-lives; they thus both appear as useful biomarkers of exposure to lambda-cyhalothrin in humans. Copyright © 2017 Elsevier B.V. All rights reserved.
Zeilinger, Markus; Pichler, Florian; Nics, Lukas; Wadsak, Wolfgang; Spreitzer, Helmut; Hacker, Marcus; Mitterhauser, Markus
2017-12-01
Resolving the kinetic mechanisms of biomolecular interactions have become increasingly important in early-phase drug development. Since traditional in vitro methods belong to dose-dependent assessments, binding kinetics is usually overlooked. The present study aimed at the establishment of two novel experimental approaches for the assessment of binding affinity of both, radiolabelled and non-labelled compounds targeting the A 3 R, based on high-resolution real-time data acquisition of radioligand-receptor binding kinetics. A novel time-resolved competition assay was developed and applied to determine the K i of eight different A 3 R antagonists, using CHO-K1 cells stably expressing the hA 3 R. In addition, a new kinetic real-time cell-binding approach was established to quantify the rate constants k on and k off , as well as the dedicated K d of the A 3 R agonist [ 125 I]-AB-MECA. Furthermore, lipophilicity measurements were conducted to control influences due to physicochemical properties of the used compounds. Two novel real-time cell-binding approaches were successfully developed and established. Both experimental procedures were found to visualize the kinetic binding characteristics with high spatial and temporal resolution, resulting in reliable affinity values, which are in good agreement with values previously reported with traditional methods. Taking into account the lipophilicity of the A 3 R antagonists, no influences on the experimental performance and the resulting affinity were investigated. Both kinetic binding approaches comprise tracer administration and subsequent binding to living cells, expressing the dedicated target protein. Therefore, the experiments resemble better the true in vivo physiological conditions and provide important markers of cellular feedback and biological response.
Serafin, Zbigniew; Strześniewski, Piotr; Lasek, Władysław; Beuth, Wojciech
2012-07-01
The use of contrast media and the time-resolved imaging of contrast kinetics (TRICKS) technique have some theoretical advantages over time-of-flight magnetic resonance angiography (TOF-MRA) in the follow-up of intracranial aneurysms after endovascular treatment. We prospectively compared the diagnostic performance of TRICKS and TOF-MRA with digital subtracted angiography (DSA) in the assessment of occlusion of embolized aneurysms. Seventy-two consecutive patients with 72 aneurysms were examined 3 months after embolization. Test characteristics of TOF-MRA and TRICKS were calculated for the detection of residual flow. The results of quantification of flow were compared with weighted kappa. Intraobserver and interobserver reproducibility was determined. The sensitivity of TOF-MRA was 85% (95% CI, 65-96%) and of TRICKS, 89% (95% CI, 70-97%). The specificity of both methods was 91% (95% CI, 79-98%). The accuracy of the flow quantification ranged from 0.76 (TOF-MRA) to 0.83 (TRICKS). There was no significant difference between the methods in the area under the ROC curve regarding both the detection and the quantification of flow. Intraobserver reproducibility was very good with both techniques (kappa, 0.86-0.89). The interobserver reproducibility was moderate for TOF-MRA and very good for TRICKS (kappa, 0.74-0.80). In this study, TOF-MRA and TRICKS presented similar diagnostic performance; therefore, the use of time-resolved contrast-enhanced MRA is not justified in the follow-up of embolized aneurysms.
Her, Cheenou; Alonzo, Aaron P.; Vang, Justin Y.; Torres, Ernesto; Krishnan, V. V.
2015-01-01
Enzyme kinetics is an essential part of a chemistry curriculum, especially for students interested in biomedical research or in health care fields. Though the concept is routinely performed in undergraduate chemistry/biochemistry classrooms using other spectroscopic methods, we provide an optimized approach that uses a real-time monitoring of the…
International Nuclear Information System (INIS)
Tserkovnikov, Yu.A.
2001-01-01
The regular method for deriving the equations for the Green functions in the tasks on the molecular hydrodynamics and kinetics, making it possible to account consequently the contribution into the generalized kinetics coefficients, conditioned by interaction of two, three and more hydrodynamic modes. In contrast to the general theory of perturbations by the interaction constant the consequent approximations are accomplished by the degree of accounting for the higher correlations, described by the irreducible functions [ru
de Koning, S.; Kaal, E.; Janssen, H.-G.; van Platerink, C.; Brinkman, U.A.Th.
2008-01-01
The feasibility of a versatile system for multi-step direct thermal desorption (DTD) coupled to comprehensive gas chromatography (GC × GC) with time-of-flight mass spectrometric (TOF-MS) detection is studied. As an application the system is used for the characterization of fresh versus aged olive
Kvelde, T.; Pijnappels, M.A.G.M.; Delbaere, K.; Close, J.C.; Lord, S.R.
2010-01-01
Background. The aim of the study was to use path analysis to test a theoretical model proposing that the relationship between self-reported depressed mood and choice stepping reaction time (CSRT) is mediated by psychoactive medication use, physiological performance, and cognitive ability.A total of
DEFF Research Database (Denmark)
Pagsberg, Palle Bjørn; Sillesen, A.; Jodkowski, J.T.
1996-01-01
was studied with SF6 pressures of 5-1000 mbar at 298 K. Comparative studies were carried out by monitoring the decay kinetics of NO2 at 445 nm using pressures of 100-1000 mbar at 295 and 341 K. The observed pressure dependence is represented in terms of a fall-off curve with the following values......The title reaction was initiated by the pulse radiolysis of SF6/NO2 gas mixtures, and the formation of FNO2 was studied by time-resolved infrared spectroscopy employing strong rotational transitions within the nu(1) and nu(4) bands of FNO2. The pressure dependence of the formation kinetics...
Cesium removal and kinetics equilibrium: Precipitation kinetics
International Nuclear Information System (INIS)
Barnes, M.J.
1999-01-01
This task consisted of both non-radioactive and radioactive (tracer) tests examining the influence of potentially significant variables on cesium tetraphenylborate precipitation kinetics. The work investigated the time required to reach cesium decontamination and the conditions that affect the cesium precipitation kinetics
Shirato, Midori; Nakamura, Keisuke; Kanno, Taro; Lingström, Peter; Niwano, Yoshimi; Örtengren, Ulf
2017-08-01
A recently developed antimicrobial technique utilizing hydroxyl radicals generated by hydrogen peroxide (H 2 O 2 ) photolysis represents a promising new therapy for preventing and treating dental caries. The present study compared the antimicrobial time-kill kinetics of H 2 O 2 photolysis, conventional antiseptics, and antimicrobial photodynamic therapy (aPDT) against biofilm-forming Streptococcus mutans (cariogenic bacteria) grown on hydroxyapatite disks. H 2 O 2 photolysis was performed by irradiating the biofilm immersed in 3% H 2 O 2 with 365-nm light-emitting diode (LED) light at an irradiance of 1000mW/cm 2 for up to 1.5min. Antiseptic treatments consisted of 0.2% chlorhexidine gluconate, 0.5% povidone-iodine, and 3% H 2 O 2 . The biofilm was immersed in each antiseptic for up to 4min. aPDT was performed by irradiating the biofilm immersed in 100μM methylene blue or toluidine blue O with 655-nm laser light at 1000mW/cm 2 for up to 4min. Based on the time-kill assay, the decimal reduction value (D-value) of each treatment was determined. With a D-value of 0.06min, H 2 O 2 photolysis exhibited the highest bactericidal effect against biofilm-forming S. mutans. In contrast, antiseptics and aPDT exerted a slower bactericidal effect, with D-values of 0.9-2.7min. In conclusion, the antimicrobial technique based on H 2 O 2 photolysis using 365-nm LED represents a strong adjunctive chemotherapy for dental caries treatment. Copyright © 2017 Elsevier B.V. All rights reserved.
Bocquet, Lyderic
2015-11-01
In this talk I will discuss the transport of hydrocarbons across nanoporous media and analyze how this transport impacts at larger scales the long-time kinetics of hydrocarbon recovery from unconventional reservoirs (the so-called shale gas). First I will establish, using molecular simulation and statistical mechanics, that the continuum description - the so-called Darcy law - fails to predict transport within a nanoscale organic matrix. The non-Darcy behavior arises from the strong adsorption of the alkanes in the nanoporous material and the breakdown of hydrodynamics at the nanoscale, which contradicts the assumption of viscous flow. Despite this complexity, all permeances collapse on a master curve with an unexpected dependence on alkane length, which can be described theoretically by a scaling law for the permeance. Then I will show that alkane recovery from such nanoporous reservoirs is dynamically retarded due to interfacial effects occuring at the material's interface. This occurs especially in the hydraulic fracking situation in which water is used to open fractures to reach the hydrocarbon reservoirs. Despite the pressure gradient used to trigger desorption, the alkanes remain trapped for long times until water desorbs from the external surface. The free energy barrier can be predicted in terms of an effective contact angle on the composite nanoporous surface. Using a statistical description of the alkane recovery, I will then demonstrate that this retarded dynamics leads to an overall slow - algebraic - decay of the hydrocarbon flux. Such a behavior is consistent with algebraic decays of shale gas flux from various wells reported in the literature. This work was performed in collaboration with B. Coasne, K. Falk, T. Lee, R. Pellenq and F. Ulm, at the UMI CNRS-MIT, Massachusetts Institute of Technology, Cambridge, USA.
Hartouni, Edward; Eckart, Mark; Field, John; Grim, Gary; Hatarik, Robert; Moore, Alastair; Munro, David; Sayer, Daniel; Schlossberg, David
2017-10-01
Neutron kinetic energy distributions from fusion reactions are characterized predominantly by the excess energy, Q, of the fusion reaction and the variance of kinetic energy which is related to the thermal temperature of the plasma as shown by e.g. Brysk. High statistics, high quality neutron time-of-flight spectra obtained at the National Ignition Facility provide a means of measuring small changes to the neutron kinetic energy due to the spatial and temporal distribution of plasma temperature, density and velocity. The modifications to the neutron kinetic energy distribution as described by Munro include plasma velocity terms with spatial orientation, suggesting that the neutron kinetic energy distributions could be anisotropic when viewed by multiple lines-of-sight. These anisotropies provide a diagnostic of burn averaged plasma velocity distributions. We present the results of measurements made for a variety of DT implosions and discuss their possible physical interpretations. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. Lawrence Livermore National Security, LLC.
Directory of Open Access Journals (Sweden)
R. Maggiolo
2012-02-01
Full Text Available On 1 April 2004 the GUVI imager onboard the TIMED spacecraft spots an isolated and elongated polar cap arc. About 20 min later, the Cluster satellites detect an isolated upflowing ion beam above the polar cap. Cluster observations show that the ions are accelerated upward by a quasi-stationary electric field. The field-aligned potential drop is estimated to about 700 V and the upflowing ions are accompanied by a tenuous population of isotropic protons with a temperature of about 500 eV. The magnetic footpoints of the ion outflows observed by Cluster are situated in the prolongation of the polar cap arc observed by TIMED GUVI. The upflowing ion beam and the polar cap arc may be different signatures of the same phenomenon, as suggested by a recent statistical study of polar cap ion beams using Cluster data. We use Cluster observations at high altitude as input to a quasi-stationary magnetosphere-ionosphere (MI coupling model. Using a Knight-type current-voltage relationship and the current continuity at the topside ionosphere, the model computes the energy spectrum of precipitating electrons at the top of the ionosphere corresponding to the generator electric field observed by Cluster. The MI coupling model provides a field-aligned potential drop in agreement with Cluster observations of upflowing ions and a spatial scale of the polar cap arc consistent with the optical observations by TIMED. The computed energy spectrum of the precipitating electrons is used as input to the Trans4 ionospheric transport code. This 1-D model, based on Boltzmann's kinetic formalism, takes into account ionospheric processes such as photoionization and electron/proton precipitation, and computes the optical and UV emissions due to precipitating electrons. The emission rates provided by the Trans4 code are compared to the optical observations by TIMED. They are similar in size and intensity. Data and modelling results are consistent with the scenario of quasi
Kessel, Sarah; Cribbes, Scott; Bonasu, Surekha; Rice, William; Qiu, Jean; Chan, Leo Li-Ying
2017-09-01
The development of three-dimensional (3D) multicellular tumor spheroid models for cancer drug discovery research has increased in the recent years. The use of 3D tumor spheroid models may be more representative of the complex in vivo tumor microenvironments in comparison to two-dimensional (2D) assays. Currently, viability of 3D multicellular tumor spheroids has been commonly measured on standard plate-readers using metabolic reagents such as CellTiter-Glo® for end point analysis. Alternatively, high content image cytometers have been used to measure drug effects on spheroid size and viability. Previously, we have demonstrated a novel end point drug screening method for 3D multicellular tumor spheroids using the Celigo Image Cytometer. To better characterize the cancer drug effects, it is important to also measure the kinetic cytotoxic and apoptotic effects on 3D multicellular tumor spheroids. In this work, we demonstrate the use of PI and caspase 3/7 stains to measure viability and apoptosis for 3D multicellular tumor spheroids in real-time. The method was first validated by staining different types of tumor spheroids with PI and caspase 3/7 and monitoring the fluorescent intensities for 16 and 21 days. Next, PI-stained and nonstained control tumor spheroids were digested into single cell suspension to directly measure viability in a 2D assay to determine the potential toxicity of PI. Finally, extensive data analysis was performed on correlating the time-dependent PI and caspase 3/7 fluorescent intensities to the spheroid size and necrotic core formation to determine an optimal starting time point for cancer drug testing. The ability to measure real-time viability and apoptosis is highly important for developing a proper 3D model for screening tumor spheroids, which can allow researchers to determine time-dependent drug effects that usually are not captured by end point assays. This would improve the current tumor spheroid analysis method to potentially better
Tudor-Locke, Catrine; Craig, Cora L; Cameron, Christine; Griffiths, Joseph M
2011-01-01
Abstract Background This study examines associations between pedometer-determined steps/day and parent-reported child's Body Mass Index (BMI) and time typically spent watching television between school and dinner. Methods Young people (aged 5-19 years) were recruited through their parents by random digit dialling and mailed a data collection package. Information on height and weight and time spent watching television between school and dinner on a typical school day was collected from parents...
Energy Technology Data Exchange (ETDEWEB)
Silva, Milena Wollmann da
2013-08-01
In this work, we report a genuine analytical representation for the solution of the neutron point kinetics equation free of the stiffness character, assuming that the reactivity is a continuous and sectionally continuous function of time. To this end, we initially cast the point kinetics equation in a first order linear differential equation. Next, we split the corresponding matrix as a sum of a diagonal matrix with a matrix, whose components contain the off-diagonal elements. Next, expanding the neutron density and the delayed neutron precursors concentrations in a truncated series, and replacing these expansions in the matrix equation, we come out with an equation, which allows to construct a recursive system, a first order matrix differential equation with source. The fundamental characteristic of this system relies on the fact that the corresponding matrix is diagonal, meanwhile the source term is written in terms of the matrix with the off-diagonal components. Further, the first equation of the recursive system has no source and satisfies the initial conditions. On the other hand, the remaining equations satisfy the null initial condition. Due to the diagonal feature of the matrix, we attain analytical solutions for these recursive equations. We also mention that we evaluate the results for any time value, without the analytical continuity because the purposed solution is free on the stiffness character. Finally, we present numerical simulations and comparisons against literature results, considering specific the applications for the following reactivity functions: constant, step, ramp, and sine. (author)
International Nuclear Information System (INIS)
Granato, J.E.; Watson, D.D.; Flanagan, T.L.; Gascho, J.A.; Beller, G.A.
1986-01-01
Thallium-201 (201Tl) uptake and redistribution kinetics were examined in an open-chest canine preparation of occlusion and reperfusion. Seven dogs (group I) underwent 3 hr of sustained occlusion and received 1.5 mCi of 201Tl after 40 min of occlusion of the left anterior descending coronary artery (LAD). Group II (n = 18) underwent 60 min of LAD occlusion followed by sudden and total release of the ligature. Group IIa (n = 8) received intravenous 201Tl during occlusion of the LAD, whereas group IIb (n = 10) received intravenous 201Tl at the time of peak reflow. Group III dogs (n = 26) also underwent 60 min of LAD occlusion that was followed by gradual reflow through a residual critical stenosis. Animals in this group also received 201Tl either before (IIIa; n = 16) or after reflow was established (IIIb; n = 10). In group I, the relative 201Tl gradient (nonischemic minus ischemic activity) decreased from 88 +/- 8% (mean +/- SEM) to 59 +/- 6% during 3 hr of coronary occlusion (p = .034). After rapid and total reperfusion (group IIa), this gradient decreased from 71 +/- 6% during occlusion to 26 +/- 5% after reflow (p less than .001). After slow reperfusion through a residual stenosis (group IIIa), the gradient decreased from 81 +/- 5% to 31 +/- 5% (p less than .001) (p = .56 compared with group IIa). In rapidly reperfused dogs receiving intravenous thallium during peak reflow (IIb), initial 201Tl activity in the ischemic zone was 155 +/- 20% of initial normal activity and fell to 93 +/- 13% of normal after 2 hr of reperfusion. In dogs reperfused slowly through a critical stenosis (IIIb), which received 201Tl during reflow, 201Tl activity soon after reflow was 94 +/- 4% of initial normal and decreased to 80 +/- 6% at 2 hr of reperfusion (p = .10). There was histochemical evidence of necrosis in the biopsy region in 80% of the 20 dogs subjected to triphenyl tetrazolium chloride staining
DEFF Research Database (Denmark)
Nielsen, A. C. Y.; Bottiger, B.; Midgley, S. E.
2013-01-01
As the number of new enteroviruses and human parechoviruses seems ever growing, the necessity for updated diagnostics is relevant. We have updated an enterovirus assay and combined it with a previously published assay for human parechovirus resulting in a multiplex one-step RT-PCR assay....... The multiplex assay was validated by analysing the sensitivity and specificity of the assay compared to the respective monoplex assays, and a good concordance was found. Furthermore, the enterovirus assay was able to detect 42 reference strains from all 4 species, and an additional 9 genotypes during panel...... testing and routine usage. During 15 months of routine use, from October 2008 to December 2009, we received and analysed 2187 samples (stool samples, cerebrospinal fluids, blood samples, respiratory samples and autopsy samples) were tested, from 1546 patients and detected enteroviruses and parechoviruses...
A novel fractional technique for the modified point kinetics equations
Directory of Open Access Journals (Sweden)
Ahmed E. Aboanber
2016-10-01
Full Text Available A fractional model for the modified point kinetics equations is derived and analyzed. An analytical method is used to solve the fractional model for the modified point kinetics equations. This methodical technique is based on the representation of the neutron density as a power series of the relaxation time as a small parameter. The validity of the fractional model is tested for different cases of step, ramp and sinusoidal reactivity. The results show that the fractional model for the modified point kinetics equations is the best representation of neutron density for subcritical and supercritical reactors.
Real-time kinetic modeling of YSZ thin film roughness deposited by e-beam evaporation technique
International Nuclear Information System (INIS)
Galdikas, A.; Cerapaite-Trusinskiene, R.; Laukaitis, G.; Dudonis, J.
2008-01-01
In the present study, the process of yttrium-stabilized zirconia (YSZ) thin films deposition on optical quartz (SiO 2 ) substrates using e-beam deposition technique controlling electron gun power is analyzed. It was found that electron gun power influences the non-monotonous kinetics of YSZ film surface roughness. The evolution of YSZ thin film surface roughness was analyzed by a kinetic model. The model is based on the rate equations and includes processes of surface diffusion of the adatoms and the clusters, nucleation, growth and coalescence of islands in the case of thin film growth in Volmer-Weber mode. The analysis of the experimental results done by modeling explains non-monotonous kinetics and dependence of the surface roughness on the electron gun power. A good quantitative agreement with experimental results is obtained taking into account the initial roughness of the substrate surface and the amount of the clusters in the flux of evaporated material.
STeP: A Tool for the Development of Provably Correct Reactive and Real-Time Systems
National Research Council Canada - National Science Library
Manna, Zohar
1999-01-01
This research is directed towards the implementation of a comprehensive toolkit for the development and verification of high assurance reactive systems, especially concurrent, real time, and hybrid systems...
Nielsen, Alex Christian Yde; Böttiger, Blenda; Midgley, Sofie Elisabeth; Nielsen, Lars Peter
2013-11-01
As the number of new enteroviruses and human parechoviruses seems ever growing, the necessity for updated diagnostics is relevant. We have updated an enterovirus assay and combined it with a previously published assay for human parechovirus resulting in a multiplex one-step RT-PCR assay. The multiplex assay was validated by analysing the sensitivity and specificity of the assay compared to the respective monoplex assays, and a good concordance was found. Furthermore, the enterovirus assay was able to detect 42 reference strains from all 4 species, and an additional 9 genotypes during panel testing and routine usage. During 15 months of routine use, from October 2008 to December 2009, we received and analysed 2187 samples (stool samples, cerebrospinal fluids, blood samples, respiratory samples and autopsy samples) were tested, from 1546 patients and detected enteroviruses and parechoviruses in 171 (8%) and 66 (3%) of the samples, respectively. 180 of the positive samples could be genotyped by PCR and sequencing and the most common genotypes found were human parechovirus type 3, echovirus 9, enterovirus 71, Coxsackievirus A16, and echovirus 25. During 2009 in Denmark, both enterovirus and human parechovirus type 3 had a similar seasonal pattern with a peak during the summer and autumn. Human parechovirus type 3 was almost invariably found in children less than 4 months of age. In conclusion, a multiplex assay was developed allowing simultaneous detection of 2 viruses, which can cause similar clinical symptoms. Copyright © 2013 Elsevier B.V. All rights reserved.
Effect of different air-drying time on the microleakage of single-step self-etch adhesives
Moosavi, Horieh; Forghani, Maryam; Managhebi, Esmatsadat
2013-01-01
Objectives This study evaluated the effect of three different air-drying times on microleakage of three self-etch adhesive systems. Materials and Methods Class I cavities were prepared for 108 extracted sound human premolars. The teeth were divided into three main groups based on three different adhesives: Opti Bond All in One (OBAO), Clearfil S3 Bond (CSB), Bond Force (BF). Each main group divided into three subgroups regarding the air-drying time: without application of air stream...
Welzel, S.; Gatilova, L.; Röpcke, J.; Rousseau, A.
2007-01-01
In a pulsed dc discharge of an Ar–N2 mixture containing 0.91% of NO the kinetics of the destruction of NO has been studied under static and flowing conditions, i.e. in a closed and open discharge tube (p = 266 Pa). For this purpose quantum cascade laser absorption spectroscopy (QCLAS) in the
International Nuclear Information System (INIS)
Colombino, A.; Mosiello, R.; Norelli, F.; Jorio, V.M.; Pacilio, N.
1975-01-01
A nuclear system kinetics is formulated according to a stochastic approach. The detailed probability balance equations are written for the probability of finding the mixed population of neutrons and detected neutrons, i.e. detectrons, at a given level for a given instant of time. Equations are integrated in search of a probability profile: a series of cases is analyzed through a progressive criterium. It tends to take into account an increasing number of physical processes within the chosen model. The most important contribution is that solutions interpret analytically experimental conditions of equilibrium (moise analysis) and non equilibrium (pulsed neutron measurements, source drop technique, start up procedures)
Directory of Open Access Journals (Sweden)
Paula M Frew
2010-09-01
Full Text Available Paula M Frew1,2,3,4, Mark J Mulligan1,2,3, Su-I Hou5, Kayshin Chan3, Carlos del Rio1,2,3,61Department of Medicine, Division of Infectious Diseases, Emory University School of Medicine, Atlanta, Georgia, USA; 2Emory Center for AIDS Research, Atlanta, Georgia, USA; 3The Hope Clinic of the Emory Vaccine Center, Decatur, Georgia, USA; 4Department of Behavioral Sciences and Health Education, Rollins School of Public Health, Emory University, Atlanta, Georgia, USA; 5Department of Health Promotion and Behavior, College of Public Health, University of Georgia, Athens, Georgia, USA; 6Department of Global Health, Rollins School of Public Health, Emory University, Atlanta, Georgia, USAObjective: This study examines whether men-who-have-sex-with-men (MSM and transgender (TG persons’ attitudes, beliefs, and risk perceptions toward human immunodeficiency virus (HIV vaccine research have been altered as a result of the negative findings from a phase 2B HIV vaccine study.Design: We conducted a cross-sectional survey among MSM and TG persons (N = 176 recruited from community settings in Atlanta from 2007 to 2008. The first group was recruited during an active phase 2B HIV vaccine trial in which a candidate vaccine was being evaluated (the “Step Study”, and the second group was recruited after product futility was widely reported in the media.Methods: Descriptive statistics, t tests, and chi-square tests were conducted to ascertain differences between the groups, and ordinal logistic regressions examined the influences of the above-mentioned factors on a critical outcome, future HIV vaccine study participation. The ordinal regression outcomes evaluated the influences on disinclination, neutrality, and inclination to study participation.Results: Behavioral outcomes such as future recruitment, event attendance, study promotion, and community mobilization did not reveal any differences in participants’ intentions between the groups. However, we observed
Elliott, Mark A; du Bois, Naomi
2017-01-01
From the point of view of the cognitive dynamicist the organization of brain circuitry into assemblies defined by their synchrony at particular (and precise) oscillation frequencies is important for the correct correlation of all independent cortical responses to the different aspects of a given complex thought or object. From the point of view of anyone operating complex mechanical systems, i.e., those comprising independent components that are required to interact precisely in time, it follows that the precise timing of such a system is essential - not only essential but measurable, and scalable. It must also be reliable over observations to bring about consistent behavior, whatever that behavior is. The catastrophic consequence of an absence of such precision, for instance that required to govern the interference engine in many automobiles, is indicative of how important timing is for the function of dynamical systems at all levels of operation. The dynamics and temporal considerations combined indicate that it is necessary to consider the operating characteristic of any dynamical, cognitive brain system in terms, superficially at least, of oscillation frequencies. These may, themselves, be forensic of an underlying time-related taxonomy. Currently there are only two sets of relevant and necessarily systematic observations in this field: one of these reports the precise dynamical structure of the perceptual systems engaged in dynamical binding across form and time; the second, derived both empirically from perceptual performance data, as well as obtained from theoretical models, demonstrates a timing taxonomy related to a fundamental operator referred to as the time quantum. In this contribution both sets of theory and observations are reviewed and compared for their predictive consistency. Conclusions about direct comparability are discussed for both theories of cognitive dynamics and time quantum models. Finally, a brief review of some experimental data
International Nuclear Information System (INIS)
Sherrill, M.E.; Abdallah, J. Jr.; Csanak, G.; Kilcrease, D.P.; Dodd, E.S.; Fukuda, Y.; Akahane, Y.; Aoyama, M.; Inoue, N.; Ueda, H.; Yamakawa, K.; Faenov, A.Ya.; Magunov, A.I.; Pikuz, T.A.; Skobelev, I.Yu.
2006-01-01
In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He α spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model
Energy Technology Data Exchange (ETDEWEB)
Sherrill, M.E. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States)]. E-mail: manolo@t4.lanl.gov; Abdallah, J. Jr. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Csanak, G. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Kilcrease, D.P. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Dodd, E.S. [Los Alamos National Laboratory, X-1, Los Alamos, NM 87545 (United States); Fukuda, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Akahane, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Aoyama, M. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Inoue, N. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Ueda, H. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Yamakawa, K. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Faenov, A.Ya. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Magunov, A.I. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Pikuz, T.A. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Skobelev, I.Yu. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation)
2006-05-15
In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He{sub {alpha}} spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model.
Directory of Open Access Journals (Sweden)
Gaëlle Aeby
2014-06-01
Full Text Available Divorce and remarriage usually imply a redefinition of family boundaries, with consequences for the production and availability of social capital. This research shows that bonding and bridging social capitals are differentially made available by families. It first hypothesizes that bridging social capital is more likely to be developed in stepfamilies, and bonding social capital in first-time families. Second, the boundaries of family configurations are expected to vary within stepfamilies and within first-time families creating a diversity of family configurations within both structures. Third, in both cases, social capital is expected to depend on the ways in which their family boundaries are set up by individuals by including or excluding ex-partners, new partner's children, siblings, and other family ties. The study is based on a sample of 300 female respondents who have at least one child of their own between 5 and 13 years, 150 from a stepfamily structure and 150 from a first-time family structure. Social capital is empirically operationalized as perceived emotional support in family networks. The results show that individuals in first-time families more often develop bonding social capital and individuals in stepfamilies bridging social capital. In both cases, however, individuals in family configurations based on close blood and conjugal ties more frequently develop bonding social capital, whereas individuals in family configurations based on in-law, stepfamily or friendship ties are more likely to develop bridging social capital.
Das, P; Pandey, P; Harishankar, A; Chandy, M; Bhattacharya, S; Chakrabarti, A
2017-01-01
Standardization of Aspergillus polymerase chain reaction (PCR) poses two technical challenges (a) standardization of DNA extraction, (b) optimization of PCR against various medically important Aspergillus species. Many cases of aspergillosis go undiagnosed because of relative insensitivity of conventional diagnostic methods such as microscopy, culture or antigen detection. The present study is an attempt to standardize real-time PCR assay for rapid sensitive and specific detection of Aspergillus DNA in EDTA whole blood. Three nucleic acid extraction protocols were compared and a two-step real-time PCR assay was developed and validated following the recommendations of the European Aspergillus PCR Initiative in our setup. In the first PCR step (pan-Aspergillus PCR), the target was 28S rDNA gene, whereas in the second step, species specific PCR the targets were beta-tubulin (for Aspergillus fumigatus, Aspergillus flavus, Aspergillus terreus), gene and calmodulin gene (for Aspergillus niger). Species specific identification of four medically important Aspergillus species, namely, A. fumigatus, A. flavus, A. niger and A. terreus were achieved by this PCR. Specificity of the PCR was tested against 34 different DNA source including bacteria, virus, yeast, other Aspergillus sp., other fungal species and for human DNA and had no false-positive reactions. The analytical sensitivity of the PCR was found to be 102 CFU/ml. The present protocol of two-step real-time PCR assays for genus- and species-specific identification for commonly isolated species in whole blood for diagnosis of invasive Aspergillus infections offers a rapid, sensitive and specific assay option and requires clinical validation at multiple centers.
Microsoft Office professional 2010 step by step
Cox, Joyce; Frye, Curtis
2011-01-01
Teach yourself exactly what you need to know about using Office Professional 2010-one step at a time! With STEP BY STEP, you build and practice new skills hands-on, at your own pace. Covering Microsoft Word, PowerPoint, Outlook, Excel, Access, Publisher, and OneNote, this book will help you learn the core features and capabilities needed to: Create attractive documents, publications, and spreadsheetsManage your e-mail, calendar, meetings, and communicationsPut your business data to workDevelop and deliver great presentationsOrganize your ideas and notes in one placeConnect, share, and accom
Directory of Open Access Journals (Sweden)
G. Lesiuk
2015-10-01
Full Text Available The goal of the authors’ investigations was determination of the fatigue crack growth in fragments of steel structures (of the puddled steel and its cyclic behavior. Tested steel elements coming from the turn of the 19th and 20th were gained from still operating ancient steel construction (a main hall of Railway Station, bridges etc.. This work is a part of investigations devoted to the phenomenon of microstructural degradation and its potential influence on their strength properties. The analysis of the obtained results indicated that those long operating steels subject to microstructure degradation processes consisting mainly in precipitation of carbides and nitrides inside ferrite grains, precipitation of carbides at ferrite grain boundaries and degeneration of pearlite areas [1, 2]. It is worth noticing that resistance of the puddled steel to fatigue crack propagation in the normalized state was higher. The authors proposed the new kinetic equation of fatigue crack growth rate in such a steel. Thus the relationship between the kinetics of degradation processes and the fatigue crack growth rate also have been shown. It is also confirmed by the materials research of the viaduct from 1885, which has not shown any significant changes in microstructure. The non-classical kinetic fatigue fracture diagrams (KFFD based on deformation ( or energy (W approach was also considered. In conjunction with the results of low- and high-cycle fatigue and gradual loss of ductility as a consequence (due to the microstructural degradation processes - it seems to be a promising construction of the new kinetics fatigue fracture diagrams with the energy approach.
Getty, Stephanie A.; Brinckerhoff, William B.; Cornish, Timothy; Li, Xiang; Floyd, Melissa; Arevalo, Ricardo Jr.; Cook, Jamie Elsila; Callahan, Michael P.
2013-01-01
Laser desorption/ionization time-of-flight mass spectrometry (LD-TOF-MS) holds promise to be a low-mass, compact in situ analytical capability for future landed missions to planetary surfaces. The ability to analyze a solid sample for both mineralogical and preserved organic content with laser ionization could be compelling as part of a scientific mission pay-load that must be prepared for unanticipated discoveries. Targeted missions for this instrument capability include Mars, Europa, Enceladus, and small icy bodies, such as asteroids and comets.
International Nuclear Information System (INIS)
Imam-Dahroni; Dwi-Herwidhi; NS, Kasilani
2000-01-01
The research of the synthesis of matrix graphite on the step of bakingprocess was conducted, by focusing on the influence of time and velocityvariables of the inert gas. The investigation on baking times ranging from 5minutes to 55 minutes and by varying the velocity of inert gas from 0.30l/minute to 3.60 l/minute, resulted the product of different matrix.Optimizing at the time of operation and the flow rate of argon gas indicatedthat the baking time for 30 minutes and by the flow rate of argon gas of 2.60l/minute resulted best matrix graphite that has a hardness value of 11kg/mm 2 of hardness and the ductility of 1800 Newton. (author)
International Nuclear Information System (INIS)
Ise, Takeharu
1976-12-01
Review studies have been made on algorithms of numerical analysis and benchmark tests on point kinetics and quasistatic approximate kinetics computer codes to perform efficiently benchmark tests on space-dependent neutron kinetics codes. Point kinetics methods have now been improved since they can be directly applied to the factorization procedures. Methods based on Pade rational function give numerically stable solutions and methods on matrix-splitting are interested in the fact that they are applicable to the direct integration methods. An improved quasistatic (IQ) approximation is the best and the most practical method; it is numerically shown that the IQ method has a high stability and precision and the computation time which is about one tenth of that of the direct method. IQ method is applicable to thermal reactors as well as fast reactors and especially fitted for fast reactors to which many time steps are necessary. Two-dimensional diffusion kinetics codes are most practicable though there exist also three-dimensional diffusion kinetics code as well as two-dimensional transport kinetics code. On developing a space-dependent kinetics code, in any case, it is desirable to improve the method so as to have a high computing speed for solving static diffusion and transport equations. (auth.)
Ficanha, Evandro M; Ribeiro, Guilherme A; Knop, Lauren; Rastgaar, Mo
2017-07-01
This paper describes the methods and experiment protocols for estimation of the human ankle impedance during turning and straight line walking. The ankle impedance of two human subjects during the stance phase of walking in both dorsiflexion plantarflexion (DP) and inversion eversion (IE) were estimated. The impedance was estimated about 8 axes of rotations of the human ankle combining different amounts of DP and IE rotations, and differentiating among positive and negative rotations at 5 instants of the stance length (SL). Specifically, the impedance was estimated at 10%, 30%, 50%, 70% and 90% of the SL. The ankle impedance showed great variability across time, and across the axes of rotation, with consistent larger stiffness and damping in DP than IE. When comparing straight walking and turning, the main differences were in damping at 50%, 70%, and 90% of the SL with an increase in damping at all axes of rotation during turning.
DEFF Research Database (Denmark)
van Leeuwen, Theo; Djonov, Emilia
2014-01-01
After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images.......After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images....
Wierenga, Debbie; Engbers, Luuk H; van Empelen, Pepijn; Hildebrandt, Vincent H; van Mechelen, Willem
2012-08-07
Worksite health promotion programs (WHPPs) offer an attractive opportunity to improve the lifestyle of employees. Nevertheless, broad scale and successful implementation of WHPPs in daily practice often fails. In the present study, called BRAVO@Work, a 7-step implementation strategy was used to develop, implement and embed a WHPP in two different worksites with a focus on multiple lifestyle interventions.This article describes the design and framework for the formative evaluation of this 7-step strategy under real-time conditions by an embedded scientist with the purpose to gain insight into whether this this 7-step strategy is a useful and effective implementation strategy. Furthermore, we aim to gain insight into factors that either facilitate or hamper the implementation process, the quality of the implemented lifestyle interventions and the degree of adoption, implementation and continuation of these interventions. This study is a formative evaluation within two different worksites with an embedded scientist on site to continuously monitor the implementation process. Each worksite (i.e. a University of Applied Sciences and an Academic Hospital) will assign a participating faculty or a department, to implement a WHPP focusing on lifestyle interventions using the 7-step strategy. The primary focus will be to describe the natural course of development, implementation and maintenance of a WHPP by studying [a] the use and adherence to the 7-step strategy, [b] barriers and facilitators that influence the natural course of adoption, implementation and maintenance, and [c] the implementation process of the lifestyle interventions. All data will be collected using qualitative (i.e. real-time monitoring and semi-structured interviews) and quantitative methods (i.e. process evaluation questionnaires) applying data triangulation. Except for the real-time monitoring, the data collection will take place at baseline and after 6, 12 and 18 months. This is one of the few
Directory of Open Access Journals (Sweden)
Wierenga Debbie
2012-08-01
Full Text Available Abstract Background Worksite health promotion programs (WHPPs offer an attractive opportunity to improve the lifestyle of employees. Nevertheless, broad scale and successful implementation of WHPPs in daily practice often fails. In the present study, called BRAVO@Work, a 7-step implementation strategy was used to develop, implement and embed a WHPP in two different worksites with a focus on multiple lifestyle interventions. This article describes the design and framework for the formative evaluation of this 7-step strategy under real-time conditions by an embedded scientist with the purpose to gain insight into whether this this 7-step strategy is a useful and effective implementation strategy. Furthermore, we aim to gain insight into factors that either facilitate or hamper the implementation process, the quality of the implemented lifestyle interventions and the degree of adoption, implementation and continuation of these interventions. Methods and design This study is a formative evaluation within two different worksites with an embedded scientist on site to continuously monitor the implementation process. Each worksite (i.e. a University of Applied Sciences and an Academic Hospital will assign a participating faculty or a department, to implement a WHPP focusing on lifestyle interventions using the 7-step strategy. The primary focus will be to describe the natural course of development, implementation and maintenance of a WHPP by studying [a] the use and adherence to the 7-step strategy, [b] barriers and facilitators that influence the natural course of adoption, implementation and maintenance, and [c] the implementation process of the lifestyle interventions. All data will be collected using qualitative (i.e. real-time monitoring and semi-structured interviews and quantitative methods (i.e. process evaluation questionnaires applying data triangulation. Except for the real-time monitoring, the data collection will take place at baseline and
International Nuclear Information System (INIS)
Gal, Maayan; Kern, Thomas; Schanda, Paul; Frydman, Lucio; Brutscher, Bernhard
2009-01-01
Multidimensional NMR spectroscopy is a well-established technique for the characterization of structure and fast-time-scale dynamics of highly populated ground states of biological macromolecules. The investigation of short-lived excited states that are important for molecular folding, misfolding and function, however, remains a challenge for modern biomolecular NMR techniques. Off-equilibrium real-time kinetic NMR methods allow direct observation of conformational or chemical changes by following peak positions and intensities in a series of spectra recorded during a kinetic event. Because standard multidimensional NMR methods required to yield sufficient atom-resolution are intrinsically time-consuming, many interesting phenomena are excluded from real-time NMR analysis. Recently, spatially encoded ultrafast 2D NMR techniques have been proposed that allow one to acquire a 2D NMR experiment within a single transient. In addition, when combined with the SOFAST technique, such ultrafast experiments can be repeated at high rates. One of the problems detected for such ultrafast protein NMR experiments is related to the heteronuclear decoupling during detection with interferences between the pulses and the oscillatory magnetic field gradients arising in this scheme. Here we present a method for improved ultrafast data acquisition yielding higher signal to noise and sharper lines in single-scan 2D NMR spectra. In combination with a fast-mixing device, the recording of 1 H- 15 N correlation spectra with repetition rates of up to a few Hertz becomes feasible, enabling real-time studies of protein kinetics occurring on time scales down to a few seconds
A kinematic analysis of the rapid step test in balance-impaired and unimpaired older women.
Schulz, Brian W; Ashton-Miller, James A; Alexander, Neil B
2007-04-01
Little is known about the kinematic and kinetic determinants that might explain age and balance-impairment alterations in the results of volitional stepping performance tests. Maximal unipedal stance time (UST) was used to distinguish "balance-impaired" old (BI, UST30s, N=12, mean age=71 years) before they and healthy young females (Y, UST>30s, N=13, mean age=23 years) performed the rapid step test (RST). The RST evaluates the time required to take volitional front, side, and back steps of at least 80% maximum step length in response to verbal commands. Kinematic and kinetic data were recorded during the RST. The results indicate that the initiation phase of the step was the major source of age- and balance impairment-related delays. The delays in BI were primarily caused by increased postural adjustments prior to step initiation, as measured by center-of-pressure (COP) path length (p<0.003). The Step landing phase showed similar, but non-significant, temporal trends. Step length and peak center-of-mass (COM) deceleration during the Step-Out landing decreased in O by 18% (p=0.0002) and 24% (p=0.001), respectively, and a further 12% (p=0.04) and 18% (p=0.08) in BI. We conclude that the delay in BI step initiation was due to the increase in their postural adjustments prior to step initiation.
Directory of Open Access Journals (Sweden)
Vanessa Suin
2014-01-01
Full Text Available A generic two-step lyssavirus real-time reverse transcriptase polymerase chain reaction (qRT-PCR, based on a nested PCR strategy, was validated for the detection of different lyssavirus species. Primers with 17 to 30% of degenerate bases were used in both consecutive steps. The assay could accurately detect RABV, LBV, MOKV, DUVV, EBLV-1, EBLV-2, and ABLV. In silico sequence alignment showed a functional match with the remaining lyssavirus species. The diagnostic specificity was 100% and the sensitivity proved to be superior to that of the fluorescent antigen test. The limit of detection was ≤1 50% tissue culture infectious dose. The related vesicular stomatitis virus was not recognized, confirming the selectivity for lyssaviruses. The assay was applied to follow the evolution of rabies virus infection in the brain of mice from 0 to 10 days after intranasal inoculation. The obtained RNA curve corresponded well with the curves obtained by a one-step monospecific RABV-qRT-PCR, the fluorescent antigen test, and virus titration. Despite the presence of degenerate bases, the assay proved to be highly sensitive, specific, and reproducible.
Suin, Vanessa; Nazé, Florence; Francart, Aurélie; Lamoral, Sophie; De Craeye, Stéphane; Kalai, Michael; Van Gucht, Steven
2014-01-01
A generic two-step lyssavirus real-time reverse transcriptase polymerase chain reaction (qRT-PCR), based on a nested PCR strategy, was validated for the detection of different lyssavirus species. Primers with 17 to 30% of degenerate bases were used in both consecutive steps. The assay could accurately detect RABV, LBV, MOKV, DUVV, EBLV-1, EBLV-2, and ABLV. In silico sequence alignment showed a functional match with the remaining lyssavirus species. The diagnostic specificity was 100% and the sensitivity proved to be superior to that of the fluorescent antigen test. The limit of detection was ≤ 1 50% tissue culture infectious dose. The related vesicular stomatitis virus was not recognized, confirming the selectivity for lyssaviruses. The assay was applied to follow the evolution of rabies virus infection in the brain of mice from 0 to 10 days after intranasal inoculation. The obtained RNA curve corresponded well with the curves obtained by a one-step monospecific RABV-qRT-PCR, the fluorescent antigen test, and virus titration. Despite the presence of degenerate bases, the assay proved to be highly sensitive, specific, and reproducible.
Norlelawati, A T; Mohd Danial, G; Nora, H; Nadia, O; Zatur Rawihah, K; Nor Zamzila, A; Naznin, M
2016-04-01
Synovial sarcoma (SS) is a rare cancer and accounts for 5-10% of adult soft tissue sarcomas. Making an accurate diagnosis is difficult due to the overlapping histological features of SS with other types of sarcomas and the non-specific immunohistochemistry profile findings. Molecular testing is thus considered necessary to confirm the diagnosis since more than 90% of SS cases carry the transcript of t(X;18)(p11.2;q11.2). The purpose of this study is to diagnose SS at molecular level by testing for t(X;18) fusion-transcript expression through One-step reverse transcriptase real-time Polymerase Chain Reaction (PCR). Formalin-fixed paraffin-embedded tissue blocks of 23 cases of soft tissue sarcomas, which included 5 and 8 cases reported as SS as the primary diagnosis and differential diagnosis respectively, were retrieved from the Department of Pathology, Tengku Ampuan Afzan Hospital, Kuantan, Pahang. RNA was purified from the tissue block sections and then subjected to One-step reverse transcriptase real-time PCR using sequence specific hydrolysis probes for simultaneous detection of either SYT-SSX1 or SYT-SSX2 fusion transcript. Of the 23 cases, 4 cases were found to be positive for SYT-SSX fusion transcript in which 2 were diagnosed as SS whereas in the 2 other cases, SS was the differential diagnosis. Three cases were excluded due to failure of both amplification assays SYT-SSX and control β-2-microglobulin. The remaining 16 cases were negative for the fusion transcript. This study has shown that the application of One-Step reverse transcriptase real time PCR for the detection SYT-SSX transcript is feasible as an aid in confirming the diagnosis of synovial sarcoma.
Tsujimoto, A; Barkmeier, W W; Takamizawa, T; Latta, M A; Miyazaki, M
2016-01-01
The purpose of this study was to evaluate the effect of phosphoric acid pre-etching times on shear bond strength (SBS) and surface free energy (SFE) with single-step self-etch adhesives. The three single-step self-etch adhesives used were: 1) Scotchbond Universal Adhesive (3M ESPE), 2) Clearfil tri-S Bond (Kuraray Noritake Dental), and 3) G-Bond Plus (GC). Two no pre-etching groups, 1) untreated enamel and 2) enamel surfaces after ultrasonic cleaning with distilled water for 30 seconds to remove the smear layer, were prepared. There were four pre-etching groups: 1) enamel surfaces were pre-etched with phosphoric acid (Etchant, 3M ESPE) for 3 seconds, 2) enamel surfaces were pre-etched for 5 seconds, 3) enamel surfaces were pre-etched for 10 seconds, and 4) enamel surfaces were pre-etched for 15 seconds. Resin composite was bonded to the treated enamel surface to determine SBS. The SFEs of treated enamel surfaces were determined by measuring the contact angles of three test liquids. Scanning electron microscopy was used to examine the enamel surfaces and enamel-adhesive interface. The specimens with phosphoric acid pre-etching showed significantly higher SBS and SFEs than the specimens without phosphoric acid pre-etching regardless of the adhesive system used. SBS and SFEs did not increase for phosphoric acid pre-etching times over 3 seconds. There were no significant differences in SBS and SFEs between the specimens with and without a smear layer. The data suggest that phosphoric acid pre-etching of ground enamel improves the bonding performance of single-step self-etch adhesives, but these bonding properties do not increase for phosphoric acid pre-etching times over 3 seconds.
Jothiprakash, V.; Magar, R. B.
2012-07-01
SummaryIn this study, artificial intelligent (AI) techniques such as artificial neural network (ANN), Adaptive neuro-fuzzy inference system (ANFIS) and Linear genetic programming (LGP) are used to predict daily and hourly multi-time-step ahead intermittent reservoir inflow. To illustrate the applicability of AI techniques, intermittent Koyna river watershed in Maharashtra, India is chosen as a case study. Based on the observed daily and hourly rainfall and reservoir inflow various types of time-series, cause-effect and combined models are developed with lumped and distributed input data. Further, the model performance was evaluated using various performance criteria. From the results, it is found that the performances of LGP models are found to be superior to ANN and ANFIS models especially in predicting the peak inflows for both daily and hourly time-step. A detailed comparison of the overall performance indicated that the combined input model (combination of rainfall and inflow) performed better in both lumped and distributed input data modelling. It was observed that the lumped input data models performed slightly better because; apart from reducing the noise in the data, the better techniques and their training approach, appropriate selection of network architecture, required inputs, and also training-testing ratios of the data set. The slight poor performance of distributed data is due to large variations and lesser number of observed values.
Chen, Jingfang; Zhang, Rusheng; Ou, Xinhua; Yao, Dong; Huang, Zheng; Li, Linzhi; Sun, Biancheng
2017-06-01
A TaqMan based duplex one-step real time RT-PCR (rRT-PCR) assay was developed for the rapid detection of Coxsackievirus A10 (CV-A10) and other enterovirus (EVs) in clinical samples. The assay was fully evaluated and found to be specific and sensitive. When applied in 115 clinical samples, a 100% diagnostic sensitivity in CV-A10 detection and 97.4% diagnostic sensitivity in other EVs were found. Copyright © 2017 Elsevier Ltd. All rights reserved.
The Relaxation of Vicinal (001) with ZigZag [110] Steps
Hawkins, Micah; Hamouda, Ajmi Bh; González-Cabrera, Diego Luis; Einstein, Theodore L.
2012-02-01
This talk presents a kinetic Monte Carlo study of the relaxation dynamics of [110] steps on a vicinal (001) simple cubic surface. This system is interesting because [110] steps have different elementary excitation energetics and favor step diffusion more than close-packed [100] steps. In this talk we show how this leads to relaxation dynamics showing greater fluctuations on a shorter time scale for [110] steps as well as 2-bond breaking processes being rate determining in contrast to 3-bond breaking processes for [100] steps. The existence of a steady state is shown via the convergence of terrace width distributions at times much longer than the relaxation time. In this time regime excellent fits to the modified generalized Wigner distribution (as well as to the Berry-Robnik model when steps can overlap) were obtained. Also, step-position correlation function data show diffusion-limited increase for small distances along the step as well as greater average step displacement for zigzag steps compared to straight steps for somewhat longer distances along the step. Work supported by NSF-MRSEC Grant DMR 05-20471 as well as a DOE-CMCSN Grant.
Getty, Stephanie; Brickerhoff, William; Cornish, Timothy; Ecelberger, Scott; Floyd, Melissa
2012-01-01
RATIONALE A miniature time-of-flight mass spectrometer has been adapted to demonstrate two-step laser desorption-ionization (LOI) in a compact instrument package for enhanced organics detection. Two-step LDI decouples the desorption and ionization processes, relative to traditional laser ionization-desorption, in order to produce low-fragmentation conditions for complex organic analytes. Tuning UV ionization laser energy allowed control ofthe degree of fragmentation, which may enable better identification of constituent species. METHODS A reflectron time-of-flight mass spectrometer prototype measuring 20 cm in length was adapted to a two-laser configuration, with IR (1064 nm) desorption followed by UV (266 nm) postionization. A relatively low ion extraction voltage of 5 kV was applied at the sample inlet. Instrument capabilities and performance were demonstrated with analysis of a model polycyclic aromatic hydrocarbon, representing a class of compounds important to the fields of Earth and planetary science. RESULTS L2MS analysis of a model PAH standard, pyrene, has been demonstrated, including parent mass identification and the onset o(tunable fragmentation as a function of ionizing laser energy. Mass resolution m/llm = 380 at full width at half-maximum was achieved which is notable for gas-phase ionization of desorbed neutrals in a highly-compact mass analyzer. CONCLUSIONS Achieving two-step laser mass spectrometry (L2MS) in a highly-miniature instrument enables a powerful approach to the detection and characterization of aromatic organics in remote terrestrial and planetary applications. Tunable detection of parent and fragment ions with high mass resolution, diagnostic of molecular structure, is possible on such a compact L2MS instrument. Selectivity of L2MS against low-mass inorganic salt interferences is a key advantage when working with unprocessed, natural samples, and a mechanism for the observed selectivity is presented.
Wan, Hui; Zhang, Kai; Rasch, Philip J.; Singh, Balwinder; Chen, Xingyuan; Edwards, Jim
2017-02-01
A test procedure is proposed for identifying numerically significant solution changes in evolution equations used in atmospheric models. The test issues a fail signal when any code modifications or computing environment changes lead to solution differences that exceed the known time step sensitivity of the reference model. Initial evidence is provided using the Community Atmosphere Model (CAM) version 5.3 that the proposed procedure can be used to distinguish rounding-level solution changes from impacts of compiler optimization or parameter perturbation, which are known to cause substantial differences in the simulated climate. The test is not exhaustive since it does not detect issues associated with diagnostic calculations that do not feedback to the model state variables. Nevertheless, it provides a practical and objective way to assess the significance of solution changes. The short simulation length implies low computational cost. The independence between ensemble members allows for parallel execution of all simulations, thus facilitating fast turnaround. The new method is simple to implement since it does not require any code modifications. We expect that the same methodology can be used for any geophysical model to which the concept of time step convergence is applicable.
International Nuclear Information System (INIS)
Mirzaee, Hossein
2009-01-01
The Levenberg-Marquardt learning algorithm is applied for training a multilayer perception with three hidden layer each with ten neurons in order to carefully map the structure of chaotic time series such as Mackey-Glass time series. First the MLP network is trained with 1000 data, and then it is tested with next 500 data. After that the trained and tested network is applied for long-term prediction of next 120 data which come after test data. The prediction is such a way that, the first inputs to network for prediction are the four last data of test data, then the predicted value is shifted to the regression vector which is the input to the network, then after first four-step of prediction, the input regression vector to network is fully predicted values and in continue, each predicted data is shifted to input vector for subsequent prediction.
Directory of Open Access Journals (Sweden)
Shanming Wang
2015-01-01
Full Text Available Now electric machines integrate with power electronics to form inseparable systems in lots of applications for high performance. For such systems, two kinds of nonlinearities, the magnetic nonlinearity of iron core and the circuit nonlinearity caused by power electronics devices, coexist at the same time, which makes simulation time-consuming. In this paper, the multiloop model combined with FE model of AC-DC synchronous generators, as one example of electric machine with power electronics system, is set up. FE method is applied for magnetic nonlinearity and variable-step variable-topology simulation method is applied for circuit nonlinearity. In order to improve the simulation speed, the incomplete Cholesky conjugate gradient (ICCG method is used to solve the state equation. However, when power electronics device switches off, the convergence difficulty occurs. So a straightforward approach to achieve convergence of simulation is proposed. At last, the simulation results are compared with the experiments.
Noll, Stefan
2016-07-01
Rotational temperatures derived from hydroxyl (OH) line emission are frequently used to study atmospheric temperatures at altitudes of about 87 km. While the measurement only requires intensities of a few bright lines of an OH band, the interpretation can be complicated. Ground-based temperatures are averages for the entire, typically 8 km wide emission layer. Variations in the rotational temperature are then caused by changes of the kinetic temperature and the OH emission profile. The latter can also be accompanied by differences in the layer-averaged efficiency of the thermalisation of the OH rotational level populations. Since this especially depends on the frequency of collisions with O_2, which is low at high altitudes, the non-local thermodynamic equilibrium (non-LTE) contribution to the measured temperatures can be significant and variable. In order to understand the impact of the different sources of OH rotational temperature variations from time scales of hours to a solar cycle, we have studied spectra from the astronomical echelle spectrographs X-shooter and UVES located at Cerro Paranal in Chile. While the X-shooter data spanning 3.5 years allowed us to measure temperatures for 25 OH and two O_2 bands, the UVES spectra cover no more than 10 OH bands simultaneously but a period of about 15 years. These data have been complemented by kinetic temperature and OH and O_2 emission profiles from the multi-channel radiometer SABER on the TIMED satellite. Taking the O_2 and SABER kinetic temperatures as reference and considering the different band-dependent emission profiles, we could evaluate the contribution of non-LTE effects to the measured OH rotational temperatures depending on line set, band, and time. Non-LTE contributions are significant for most bands and can exceed 10 K. The amplitudes of their average nocturnal and seasonal variation are of the order of 1 to 2 K.
International Nuclear Information System (INIS)
Guo, Jingchun; Oshikiri, Tomoya; Ueno, Kosei; Shi, Xu; Misawa, Hiroaki
2017-01-01
We developed a localized surface plasmon-induced visible light-responsive photoelectrochemical (PEC) biosensor using a titanium dioxide (TiO_2) photoelectrode loaded with gold nanoislands (AuNIs) for in situ real-time measurement of biotin-streptavidin association. As a proof of concept, self-assembled thiol-terminated biotin molecules bound on a AuNIs/TiO_2 photoelectrode were successfully utilized to explore the photocurrent response to streptavidin-modified gold nanoparticle (STA-AuNP) solutions. This plasmon-induced PEC biosensor is simple and easy to miniaturize. Additionally, the PEC biosensor achieves highly sensitive measurements under only visible light irradiation and prevents the UV-induced damage of samples. Furthermore, a novel approach has been proposed to realize the real-time monitoring of biotin-STA binding affinities and kinetics by analyzing the PEC sensing characteristics. This PEC biosensor and novel analysis method could provide a new approach for the specific electrical detection and real-time kinetic measurements for clinical diagnostics and drug development. - Highlights: • A plasmon-induced visible light-responsive photoelectrochemical biosensor is developed and the system can be miniaturized.
Energy Technology Data Exchange (ETDEWEB)
Guo, Jingchun; Oshikiri, Tomoya; Ueno, Kosei; Shi, Xu [Research Institute for Electronic Science, Hokkaido University, Sapporo 001-0021 (Japan); Misawa, Hiroaki, E-mail: misawa@es.hokudai.ac.jp [Research Institute for Electronic Science, Hokkaido University, Sapporo 001-0021 (Japan); Department of Applied Chemistry & Institute of Molecular Science, National Chiao Tung University, Hsinchu 30010, Taiwan (China)
2017-03-08
We developed a localized surface plasmon-induced visible light-responsive photoelectrochemical (PEC) biosensor using a titanium dioxide (TiO{sub 2}) photoelectrode loaded with gold nanoislands (AuNIs) for in situ real-time measurement of biotin-streptavidin association. As a proof of concept, self-assembled thiol-terminated biotin molecules bound on a AuNIs/TiO{sub 2} photoelectrode were successfully utilized to explore the photocurrent response to streptavidin-modified gold nanoparticle (STA-AuNP) solutions. This plasmon-induced PEC biosensor is simple and easy to miniaturize. Additionally, the PEC biosensor achieves highly sensitive measurements under only visible light irradiation and prevents the UV-induced damage of samples. Furthermore, a novel approach has been proposed to realize the real-time monitoring of biotin-STA binding affinities and kinetics by analyzing the PEC sensing characteristics. This PEC biosensor and novel analysis method could provide a new approach for the specific electrical detection and real-time kinetic measurements for clinical diagnostics and drug development. - Highlights: • A plasmon-induced visible light-responsive photoelectrochemical biosensor is developed and the system can be miniaturized.
Bax, Hannelore I; Bakker-Woudenberg, Irma A J M; de Vogel, Corné P; van der Meijden, Aart; Verbon, Annelies; de Steenwinkel, Jurriaan E M
2017-07-01
Novel treatment strategies for tuberculosis are urgently needed. Many different preclinical models assessing anti-tuberculosis drug activity are available, but it is yet unclear which combination of models is most predictive of clinical treatment efficacy. The aim of this study was to determine the role of our in vitro time kill-kinetics assay as an asset to a predictive preclinical modeling framework assessing anti-tuberculosis drug activity. The concentration- and time-dependent mycobacterial killing capacities of six anti-tuberculosis drugs were determined during exposure as single drugs or in dual, triple and quadruple combinations towards a Mycobacterium tuberculosis Beijing genotype strain and drug resistance was assessed. Streptomycin, rifampicin and isoniazid were most active against fast-growing M. tuberculosis. Isoniazid with rifampicin or high dose ethambutol were the only synergistic drug combinations. The addition of rifampicin or streptomycin to isoniazid prevented isoniazid resistance. In vitro ranking showed agreement with early bactericidal activity in tuberculosis patients for some but not all anti-tuberculosis drugs. The time-kill kinetics assay provides important information on the mycobacterial killing dynamics of anti-tuberculosis drugs during the early phase of drug exposure. As such, this assay is a valuable component of the preclinical modeling framework. Copyright © 2017 Elsevier Ltd. All rights reserved.
Balaguer, Susana; Diaz, Laura; Gomes, Angela; Herrera, Guadalupe; O'Connor, José-Enrique; Urios, Amparo; Felipo, Vicente; Montoliu, Carmina
2017-05-01
Nitric oxide (NO) and its related reactive nitrogen species (RNS) and reactive oxygen species (ROS) are crucial in monocyte responses against pathogens and also in inflammatory conditions. Central to both processes is the generation of the strong oxidant peroxynitrite (ONOO) by a fast reaction between NO and superoxide anion. ONOO is a biochemical junction for ROS- and RNS cytotoxicity and causes protein nitrosylation. Circulating by-products of protein nitrosylation are early biomarkers of inflammation-based conditions, including minimal hepatic encephalopathy in cirrhotic patients (Montoliu et al., Am J Gastroenterol 2011; 106:1629-1637). In this context, we have designed a novel no-wash, no-lyse real-time flow cytometry assay to detect and follow-up the NO- and superoxide-driven generation of ONOO in peripheral blood monocytes. Whole blood samples were stained with CD45 and CD14 antibodies plus one of a series of fluorescent probes sensitive to RNS, ROS, or glutathione, namely 4-amino-5-methylamino-2',7'-difluorofluorescein diacetate, dihydrorhodamine 123, MitoSOX Red, dihydroethidium, and 5-chloromethylfluorescein diacetate. Samples were exposed sequentially to a NO donor and three different superoxide donors, and analyzed in real time by kinetic flow cytometry. Relevant kinetic descriptors, such as the rate of fluorescence change, were calculated from the kinetic plot. The generation of ONOO, which consumes both NO and superoxide, led to a decrease in the intensity of the cellular fluorescence of the probes sensitive to these molecules. This is a fast and simple assay that may be used to monitor the intracellular generation of ONOO in physiological, pathological, and pharmacological contexts. © 2015 International Clinical Cytometry Society. © 2015 International Clinical Cytometry Society.
Feng, Kaiqiang; Li, Jie; Zhang, Xiaoming; Shen, Chong; Bi, Yu; Zheng, Tao; Liu, Jun
2017-09-19
In order to reduce the computational complexity, and improve the pitch/roll estimation accuracy of the low-cost attitude heading reference system (AHRS) under conditions of magnetic-distortion, a novel linear Kalman filter, suitable for nonlinear attitude estimation, is proposed in this paper. The new algorithm is the combination of two-step geometrically-intuitive correction (TGIC) and the Kalman filter. In the proposed algorithm, the sequential two-step geometrically-intuitive correction scheme is used to make the current estimation of pitch/roll immune to magnetic distortion. Meanwhile, the TGIC produces a computed quaternion input for the Kalman filter, which avoids the linearization error of measurement equations and reduces the computational complexity. Several experiments have been carried out to validate the performance of the filter design. The results demonstrate that the mean time consumption and the root mean square error (RMSE) of pitch/roll estimation under magnetic disturbances are reduced by 45.9% and 33.8%, respectively, when compared with a standard filter. In addition, the proposed filter is applicable for attitude estimation under various dynamic conditions.
International Nuclear Information System (INIS)
Kimura, Fumiko; Umezawa, Tatsuo; Asano, Tomonari; Chihara, Ruri; Nishi, Naoko; Nishimura, Shigeyoshi; Sakai, Fumikazu
2010-01-01
We compared stair-step artifacts and radiation dose between prospective electrocardiography (ECG)-gated coronary computed tomography angiography (prospective CCTA) and retrospective CCTA using 64-detector CT and determined the optimal padding time (PT) for prospective CCTA. We retrospectively evaluated 183 patients [mean heart rate (HR) <65 beats/min, maximum HR instability <5 beats/min] who had undergone CCTA. We scored stair-step artifacts from 1 (severe) to 5 (none) and evaluated the effective dose in 53 patients with retrospective CCTA and 130 with prospective CCTA (PT 200 ms, n=32; PT 50 ms, n=98). Mean artifact scores were 4.3 in both retrospective and prospective CCTAs. However, statistically more arteries scored <3 (nonassessable) on prospective CCTA (P<0.001). Mean scores for prospective CCTA with 200- and 50-ms PT were 4.1 and 4.3, respectively (no significant difference). The radiation dose of prospective CCTA was reduced by 59.1% to 80.7%. Prospective CCTA reduces the radiation dose and allows diagnostic imaging in most cases but shows more nonevaluable artifacts than retrospective CCTA. Use of 50-ms instead of 200-ms PT appears to maintain image quality in patients with a mean HR <65 beats/min and HR instability of <5 beats/min. (author)
International Nuclear Information System (INIS)
Nabbi, R.; Meister, G.; Finken, R.; Haben, M.
1982-09-01
The present report describes the modelling basis and the structure of the neutron kinetics-code SHOVAV-Juel. Information for users is given regarding the application of the code and the generation of the input data. SHOVAV-Juel is a one-dimensional space-time-code based on a multigroup diffusion approach for four energy groups and six groups of delayed neutrons. It has been developed for the analysis of the transient behaviour of high temperature reactors with pebble-bed core. The reactor core is modelled by horizontal segments to which different materials compositions can be assigned. The temperature dependence of the reactivity is taken into account by using temperature dependent neutron cross sections. For the simulation of transients in an extended time range the time dependence of the reactivity absorption by Xenon-135 is taken into account. (orig./RW)
International Nuclear Information System (INIS)
Carrander, Claes; Mousavi, Seyed Ali; Engdahl, Göran
2017-01-01
In many transformer applications, it is necessary to have a core magnetization model that takes into account both magnetic and electrical effects. This becomes particularly important in three-phase transformers, where the zero-sequence impedance is generally high, and therefore affects the magnetization very strongly. In this paper, we demonstrate a time-step topological simulation method that uses a lumped-element approach to accurately model both the electrical and magnetic circuits. The simulation method is independent of the used hysteresis model. In this paper, a hysteresis model based on the first-order reversal-curve has been used. - Highlights: • A lumped-element method for modelling transformers i demonstrated. • The method can include hysteresis and arbitrarily complex geometries. • Simulation results for one power transformer are compared to measurements. • An analytical curve-fitting expression for static hysteresis loops is shown.
Navon, I. M.; Yu, Jian
A FORTRAN computer program is presented and documented applying the Turkel-Zwas explicit large time-step scheme to a hemispheric barotropic model with constraint restoration of integral invariants of the shallow-water equations. We then proceed to detail the algorithms embodied in the code EXSHALL in this paper, particularly algorithms related to the efficiency and stability of T-Z scheme and the quadratic constraint restoration method which is based on a variational approach. In particular we provide details about the high-latitude filtering, Shapiro filtering, and Robert filtering algorithms used in the code. We explain in detail the various subroutines in the EXSHALL code with emphasis on algorithms implemented in the code and present the flowcharts of some major subroutines. Finally, we provide a visual example illustrating a 4-day run using real initial data, along with a sample printout and graphic isoline contours of the height field and velocity fields.
International Nuclear Information System (INIS)
Lifschitz, E.M.; Pitajewski, L.P.
1983-01-01
The textbook covers the subject under the following headings: kinetic gas theory, diffusion approximation, collisionless plasma, collisions within the plasma, plasma in the magnetic field, theory of instabilities, dielectrics, quantum fluids, metals, diagram technique for nonequilibrium systems, superconductors, and kinetics of phase transformations
Ertsen, M. W.; Murphy, J. T.; Purdue, L. E.; Zhu, T.
2014-04-01
When simulating social action in modeling efforts, as in socio-hydrology, an issue of obvious importance is how to ensure that social action by human agents is well-represented in the analysis and the model. Generally, human decision-making is either modeled on a yearly basis or lumped together as collective social structures. Both responses are problematic, as human decision-making is more complex and organizations are the result of human agency and cannot be used as explanatory forces. A way out of the dilemma of how to include human agency is to go to the largest societal and environmental clustering possible: society itself and climate, with time steps of years or decades. In the paper, another way out is developed: to face human agency squarely, and direct the modeling approach to the agency of individuals and couple this with the lowest appropriate hydrological level and time step. This approach is supported theoretically by the work of Bruno Latour, the French sociologist and philosopher. We discuss irrigation archaeology, as it is in this discipline that the issues of scale and explanatory force are well discussed. The issue is not just what scale to use: it is what scale matters. We argue that understanding the arrangements that permitted the management of irrigation over centuries requires modeling and understanding the small-scale, day-to-day operations and personal interactions upon which they were built. This effort, however, must be informed by the longer-term dynamics, as these provide the context within which human agency is acted out.
Fisher, Abi; Ucci, Marcella; Smith, Lee; Sawyer, Alexia; Spinney, Richard; Konstantatou, Marina; Marmot, Alexi
2018-06-01
Office-based workers spend a large proportion of the day sitting and tend to have low overall activity levels. Despite some evidence that features of the external physical environment are associated with physical activity, little is known about the influence of the spatial layout of the internal environment on movement, and the majority of data use self-report. This study investigated associations between objectively-measured sitting time and activity levels and the spatial layout of office floors in a sample of UK office-based workers. Participants wore activPAL accelerometers for at least three consecutive workdays. Primary outcomes were steps and proportion of sitting time per working hour. Primary exposures were office spatial layout, which was objectively-measured by deriving key spatial variables: 'distance from each workstation to key office destinations', 'distance from participant's workstation to all other workstations', 'visibility of co-workers', and workstation 'closeness'. 131 participants from 10 organisations were included. Fifty-four per cent were female, 81% were white, and the majority had a managerial or professional role (72%) in their organisation. The average proportion of the working hour spent sitting was 0.7 (SD 0.15); participants took on average 444 (SD 210) steps per working hour. Models adjusted for confounders revealed significant negative associations between step count and distance from each workstation to all other office destinations (e.g., B = -4.66, 95% CI: -8.12, -1.12, p office destinations (e.g., B = -6.45, 95% CI: -11.88, -0.41, p office destinations the less they walked, suggesting that changing the relative distance between workstations and other destinations on the same floor may not be the most fruitful target for promoting walking and reducing sitting in the workplace. However, reported effect sizes were very small and based on cross-sectional analyses. The approaches developed in this study could be applied to other
Meliga, Philippe
2017-07-01
We provide in-depth scrutiny of two methods making use of adjoint-based gradients to compute the sensitivity of drag in the two-dimensional, periodic flow past a circular cylinder (Re≲189 ): first, the time-stepping analysis used in Meliga et al. [Phys. Fluids 26, 104101 (2014), 10.1063/1.4896941] that relies on classical Navier-Stokes modeling and determines the sensitivity to any generic control force from time-dependent adjoint equations marched backwards in time; and, second, a self-consistent approach building on the model of Mantič-Lugo et al. [Phys. Rev. Lett. 113, 084501 (2014), 10.1103/PhysRevLett.113.084501] to compute semilinear approximations of the sensitivity to the mean and fluctuating components of the force. Both approaches are applied to open-loop control by a small secondary cylinder and allow identifying the sensitive regions without knowledge of the controlled states. The theoretical predictions obtained by time-stepping analysis reproduce well the results obtained by direct numerical simulation of the two-cylinder system. So do the predictions obtained by self-consistent analysis, which corroborates the relevance of the approach as a guideline for efficient and systematic control design in the attempt to reduce drag, even though the Reynolds number is not close to the instability threshold and the oscillation amplitude is not small. This is because, unlike simpler approaches relying on linear stability analysis to predict the main features of the flow unsteadiness, the semilinear framework encompasses rigorously the effect of the control on the mean flow, as well as on the finite-amplitude fluctuation that feeds back nonlinearly onto the mean flow via the formation of Reynolds stresses. Such results are especially promising as the self-consistent approach determines the sensitivity from time-independent equations that can be solved iteratively, which makes it generally less computationally demanding. We ultimately discuss the extent to
International Nuclear Information System (INIS)
Swart, C.A.M. de.
1983-01-01
The author has studied the kinetics of heparin and heparin fractions after intravenous administration in humans and in this thesis the results of this study are reported. Basic knowledge about the physico-chemical properties of heparin and its interactions with proteins resulting in anticoagulant and lipolytic effects are discussed in a review (chapter II), which also comprises some clinical aspects of heparin therapy. In chapter III the kinetics of the anticoagulant effect are described after intravenous administration of five commercial heparin preparations. A mathematical model is presented that fits best to these kinetics. The kinetics of the anticoagulant and lipolytic effects after intravenous injection of various 35 S-radiolabelled heparin fractions and their relationship with the disappearance of the radiolabel are described in chapter IV. Chapter V gives a description of the kinetics of two radiolabels after injection of in vitro formed complexes consisting of purified, 125 I-radiolabelled antithrombin III and various 35 S-radiolabelled heparin fractions. (Auth.)
Kristoffersen, Emil L.; Jørgensen, Line A.; Franch, Oskar; Etzerodt, Michael; Frøhlich, Rikke; Bjergbæk, Lotte; Stougaard, Magnus; Ho, Yi-Ping; Knudsen, Birgitta R.
2015-05-01
Human DNA topoisomerase I (hTopI) is a nuclear enzyme that catalyzes relaxation of super helical tension that arises in the genome during essential DNA metabolic processes. This is accomplished through a common reaction mechanism shared among the type IB topoisomerase enzymes, including eukaryotic and poxvirus topoisomerase I. The mechanism of hTopI is specifically targeted in cancer treatment using camptothecin derivatives. These drugs convert the hTopI activity into a cellular poison, and hence the cytotoxic effects of camptothecin derivatives correlate with the hTopI activity. Therefore, fast and reliable techniques for high throughput measurements of hTopI activity are of high clinical interest. Here we demonstrate potential applications of a fluorophore-quencher based DNA sensor designed for measurement of hTopI cleavage-ligation activities, which are the catalytic steps affected by camptothecin. The kinetic analysis of the hTopI reaction with the DNA sensor exhibits a characteristic burst profile. This is the result of a two-step ping-pong reaction mechanism, where a fast first reaction, the one creating the signal, is followed by a slower second reaction necessary for completion of the catalytic cycle. Hence, the burst profile holds information about two reactions in the enzymatic mechanism. Moreover, it allows the amount of active enzyme in the reaction to be determined. The presented results pave the way for future high throughput drug screening and the potential of measuring active hTopI concentrations in clinical samples for individualized treatment.Human DNA topoisomerase I (hTopI) is a nuclear enzyme that catalyzes relaxation of super helical tension that arises in the genome during essential DNA metabolic processes. This is accomplished through a common reaction mechanism shared among the type IB topoisomerase enzymes, including eukaryotic and poxvirus topoisomerase I. The mechanism of hTopI is specifically targeted in cancer treatment using
Covino, T. P.; Bowden, W. B.; Gooseff, M. N.; Wollheim, W. M.; McGlynn, B. L.; Whittinghill, K. A.; Wlostowski, A. N.; Herstand, M. R.
2012-12-01
Understanding the relationship between solute travel time, concentration, and nutrient uptake remains a central question in watershed hydrology and biogeochemistry. Theoretical understanding predicts that nutrient uptake should increase as in-stream solute travel time lengthens and/or as concentration increases; however, results from field-based studies have been contradictory. We used a newly developed approach, Tracer Additions for Spiraling Curve Characterization (TASCC), to investigate relationships between solute travel time, nutrient concentration, and nutrient uptake across a range of stream types. This approach allows us to quantify in-stream nutrient uptake across a range of travel times and nutrient concentrations using single instantaneous injections (slugs) of conservative and non-conservative tracers. In some systems we observed counter-clockwise hysteresis loops in the relationship between nutrient uptake and concentration. Greater nutrient uptake on the falling limb of tracer breakthrough curves indicates stronger uptake for a given concentration at longer travel times. However, in other systems we did not observe hysteresis in these relationships. Lack of hysteresis indicates that nutrient uptake kinetics were not influenced by travel time travel time. Here we investigate the potential roles of travel time and in-stream flowpaths that could be responsible for hysteretic behavior.
Energy Technology Data Exchange (ETDEWEB)
Wang, Lijin, E-mail: ljwang@ucas.ac.cn [School of Mathematical Sciences, University of Chinese Academy of Sciences, Beijing 100049 (China)
2016-06-08
The stochastic protein kinetic equations can be stiff for certain parameters, which makes their numerical simulation rely on very small time step sizes, resulting in large computational cost and accumulated round-off errors. For such situation, we provide a method of reducing stiffness of the stochastic protein kinetic equation by means of a kind of variable transformation. Theoretical and numerical analysis show effectiveness of this method. Its generalization to a more general class of stochastic differential equation models is also discussed.
Kristoffersen, Emil L; Jørgensen, Line A; Franch, Oskar; Etzerodt, Michael; Frøhlich, Rikke; Bjergbæk, Lotte; Stougaard, Magnus; Ho, Yi-Ping; Knudsen, Birgitta R
2015-06-07
Human DNA topoisomerase I (hTopI) is a nuclear enzyme that catalyzes relaxation of super helical tension that arises in the genome during essential DNA metabolic processes. This is accomplished through a common reaction mechanism shared among the type IB topoisomerase enzymes, including eukaryotic and poxvirus topoisomerase I. The mechanism of hTopI is specifically targeted in cancer treatment using camptothecin derivatives. These drugs convert the hTopI activity into a cellular poison, and hence the cytotoxic effects of camptothecin derivatives correlate with the hTopI activity. Therefore, fast and reliable techniques for high throughput measurements of hTopI activity are of high clinical interest. Here we demonstrate potential applications of a fluorophore-quencher based DNA sensor designed for measurement of hTopI cleavage-ligation activities, which are the catalytic steps affected by camptothecin. The kinetic analysis of the hTopI reaction with the DNA sensor exhibits a characteristic burst profile. This is the result of a two-step ping-pong reaction mechanism, where a fast first reaction, the one creating the signal, is followed by a slower second reaction necessary for completion of the catalytic cycle. Hence, the burst profile holds information about two reactions in the enzymatic mechanism. Moreover, it allows the amount of active enzyme in the reaction to be determined. The presented results pave the way for future high throughput drug screening and the potential of measuring active hTopI concentrations in clinical samples for individualized treatment.
International Nuclear Information System (INIS)
Mellah, Abdelhamid
1992-12-01
The soluble organic matter present in industrial phosphoric acid can strongly affect the uranium recovery during its solvent extraction by forming stable foams and emulsions. The removal of these organics is an important step both for the production of decontaminated fertilizers and the successful recovery of uranium. The equilibrium isotherms of organic matter adsorption onto bentonite show that the data correlated well with freundlich's model and that the adsorption is physical in nature. the maximum monomolecular capacity (Qo) according to the Langmuir model is 153 mg/g for an initial organic matter concentration of 251.5 mg/1, at 30 oC. The operating parameters (agitation speed, solid/liquid ratio, temperature, particle size and initial organic matter concentration) influenced the rate of adsorption. The adsorption isotherm of uranium onto bentonite exhibits and anomalous shape similar to the Z-type isotherm reported by Giles et al
Energy Technology Data Exchange (ETDEWEB)
Orlov, Alexey V. [Prokhorov General Physics Institute, Russian Academy of Sciences, 38 Vavilov St, 119991 Moscow (Russian Federation); Nikitin, Maxim P. [Prokhorov General Physics Institute, Russian Academy of Sciences, 38 Vavilov St, 119991 Moscow (Russian Federation); Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, 16/10 Miklukho-Maklaya St, 117997 Moscow (Russian Federation); Moscow Institute of Physics and Technology, 9 Institutskii per., Dolgoprudny, Moscow Region 141700 (Russian Federation); Bragina, Vera A.; Znoyko, Sergey L.; Zaikina, Marina N.; Ksenevich, Tatiana I.; Gorshkov, Boris G. [Prokhorov General Physics Institute, Russian Academy of Sciences, 38 Vavilov St, 119991 Moscow (Russian Federation); Nikitin, Petr I., E-mail: nikitin@kapella.gpi.ru [Prokhorov General Physics Institute, Russian Academy of Sciences, 38 Vavilov St, 119991 Moscow (Russian Federation); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), 31 Kashirskoe shosse, 115409 Moscow (Russian Federation)
2015-04-15
A method for quantitative investigation of affinity constants of receptors immobilized on magnetic nanoparticles (MP) is developed based on spectral correlation interferometry (SCI). The SCI records with a picometer resolution the thickness changes of a layer of molecules or nanoparticles due to a biochemical reaction on a cover slip, averaged over the sensing area. The method is compatible with other types of sensing surfaces employed in biosensing. The measured values of kinetic association constants of magnetic nanoparticles are 4 orders of magnitude higher than those of molecular antibody association with antigen. The developed method also suggests highly sensitive detection of antigens in a wide dynamic range. The limit of detection of 92 pg/ml has been demonstrated for prostate-specific antigen (PSA) with 50-nm MP employed as labels, which produce 3-order amplification of the SCI signals. The calibration curve features high sensitivity (slope) of 3-fold signal raise per 10-fold increase of PSA concentration within 4-order dynamic range, which is an attractive compromise for precise quantitative and highly sensitive immunoassay. The proposed biosensing technique offers inexpensive disposable sensor chips of cover slips and represents an economically sound alternative to traditional immunoassays for disease diagnostics, detection of pathogens in food and environmental monitoring. - Highlights: • Method for study of affinity constants of magnetic nanoparticles with receptors is proposed. • Association constants of such particles are 4 orders higher than for biomolecules. • Method is compatible with widely used biosensor surfaces and affordable consumables. • It has high sensitivity: 3-fold signal increasing per 10-fold of PSA concentration. • Limit of detection for PSA is 92 pg/ml, dynamic range – 4 orders of concentration.
Performance of neutron kinetics models for ADS transient analyses
International Nuclear Information System (INIS)
Rineiski, A.; Maschek, W.; Rimpault, G.
2002-01-01
can also apply this approach for estimating errors of point-kinetics simulations or for ameliorating the employed point-kinetics models. Though the performance of the point-kinetics model can be insufficient in the subcritical case, the quasi-static approach is still valid if the shape steps are chosen properly. It is worthwhile to mention that in combination with properly computed correction factor tables, one can use the reactivity and power distributions obtained for 'critical' reactor models; this approach can simplify ADS-related application of conventional accident analyses codes (developed in the past for transient analyses of critical reactors). However, for analyzing severe transients in ADSs, which involve gross core material configuration changes, one can hardly avoid using of space-time kinetics methods, this holds similarly for critical reactor systems. (authors)
Herrendoerfer, R.; van Dinther, Y.; Gerya, T.
2015-12-01
To explore the relationships between subduction dynamics and the megathrust earthquake potential, we have recently developed a numerical model that bridges the gap between processes on geodynamic and earthquake cycle time scales. In a self-consistent, continuum-based framework including a visco-elasto-plastic constitutive relationship, cycles of megathrust earthquake-like ruptures were simulated through a purely slip rate-dependent friction, albeit with very low slip rates (van Dinther et al., JGR, 2013). In addition to much faster earthquakes, a range of aseismic slip processes operate at different time scales in nature. These aseismic processes likely accommodate a considerable amount of the plate convergence and are thus relevant in order to estimate the long-term seismic coupling and related hazard in subduction zones. To simulate and resolve this wide spectrum of slip processes, we innovatively implemented rate-and state dependent friction (RSF) and an adaptive time-stepping into our continuum framework. The RSF formulation, in contrast to our previous friction formulation, takes the dependency of frictional strength on a state variable into account. It thereby allows for continuous plastic yielding inside rate-weakening regions, which leads to aseismic slip. In contrast to the conventional RSF formulation, we relate slip velocities to strain rates and use an invariant formulation. Thus we do not require the a priori definition of infinitely thin, planar faults in a homogeneous elastic medium. With this new implementation of RSF, we succeed to produce consistent cycles of frictional instabilities. By changing the frictional parameter a, b, and the characteristic slip distance, we observe a transition from stable sliding to stick-slip behaviour. This transition is in general agreement with predictions from theoretical estimates of the nucleation size, thereby to first order validating our implementation. By incorporating adaptive time-stepping based on a
Fan, Hsiu-Fang
2012-01-01
Tyrosine family recombinases (YRs) are widely utilized in genome engineering systems because they can easily direct DNA rearrangement. Cre recombinases, one of the most commonly used types of YRs, catalyze site-specific recombination between two loxP sites without the need for high-energy cofactors, other accessory proteins or a specific DNA target sequence between the loxP sites. Previous structural, analytical ultracentrifuge and electrophoretic analyses have provided details of the reaction kinetics and mechanisms of Cre recombinase activity; whether there are reaction intermediates or side pathways involved has been left unaddressed. Using tethered particle motion (TPM), the Cre-mediated site-specific recombination process has been delineated, from beginning to end, at the single-molecule level, including the formation of abortive complexes and wayward complexes blocking inactive nucleoprotein complexes from entering the recombination process. Reversibility in the strand-cleavage/-ligation process and the formation of a thermally stable Holliday junction intermediate were observed within the Cre-mediated site-specific recombination process. Rate constants for each elementary step, which explain the overall reaction outcomes under various conditions, were determined. Taking the findings of this study together, they demonstrate the potential of single-molecule methodology as an alternative approach for exploring reaction mechanisms in detail. PMID:22467208
Tucciarone, C M; Franzo, G; Berto, G; Drigo, M; Ramon, G; Koutoulis, K C; Catelli, E; Cecchinato, M
2018-01-01
Infectious bronchitis virus (IBV) is a great economic burden both for productive losses and costs of the control strategies. Many different vaccination protocols are applied in the same region and even in consecutive cycles on the same farm in order to find the perfect balance between costs and benefits. In Northern Italy, the usual second vaccination is more and more often moved up to the chick's first d of life. The second strain administration together with the common Mass priming by spray at the hatchery allows saving money and time and reducing animal stress. The present work compared the different vaccine strains (Mass-like or B48, and 1/96) kinetics both in field conditions and in a 21-day-long experimental trial in broilers, monitoring the viral replication by upper respiratory tract swabbing and vaccine specific real time reverse transcription PCR (RT-PCR) quantification. In both field and experimental conditions, titers for all the vaccines showed an increasing trend in the first 2 wk and then a decrease, though still remaining detectable during the whole monitored period. IBV field strain and avian Metapneumovirus (aMPV) presence also was also investigated by RT-PCR and sequencing, and by multiplex real-time RT-PCR, respectively, revealing a consistency in the pathogen introduction timing at around 30 d, in correspondence with the vaccine titer's main decrease. These findings suggest the need for an accurate knowledge of live vaccine kinetics, whose replication can compete with the other pathogen one, providing additional protection to be added to what is conferred by the adaptive immune response. © 2017 Poultry Science Association Inc.
Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation
Jung, Jaewoon; Kobayashi, Chigusa; Sugita, Yuji
2018-04-01
In molecular dynamics (MD) simulations, a proper definition of kinetic energy is essential for controlling pressure as well as temperature in the isothermal-isobaric condition. The virial theorem provides an equation that connects the average kinetic energy with the product of particle coordinate and force. In this paper, we show that the theorem is satisfied in MD simulations with a larger time step and holonomic constraints of bonds, only when a proper definition of kinetic energy is used. We provide a novel definition of kinetic energy, which is calculated from velocities at the half-time steps (t - Δt/2 and t + Δt/2) in the velocity Verlet integration method. MD simulations of a 1,2-dispalmitoyl-sn-phosphatidylcholine (DPPC) lipid bilayer and a water box using the kinetic energy definition could reproduce the physical properties in the isothermal-isobaric condition properly. We also develop a multiple time step (MTS) integration scheme with the kinetic energy definition. MD simulations with the MTS integration for the DPPC and water box systems provided the same quantities as the velocity Verlet integration method, even when the thermostat and barostat are updated less frequently.
Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation.
Jung, Jaewoon; Kobayashi, Chigusa; Sugita, Yuji
2018-04-28
In molecular dynamics (MD) simulations, a proper definition of kinetic energy is essential for controlling pressure as well as temperature in the isothermal-isobaric condition. The virial theorem provides an equation that connects the average kinetic energy with the product of particle coordinate and force. In this paper, we show that the theorem is satisfied in MD simulations with a larger time step and holonomic constraints of bonds, only when a proper definition of kinetic energy is used. We provide a novel definition of kinetic energy, which is calculated from velocities at the half-time steps (t - Δt/2 and t + Δt/2) in the velocity Verlet integration method. MD simulations of a 1,2-dispalmitoyl-sn-phosphatidylcholine (DPPC) lipid bilayer and a water box using the kinetic energy definition could reproduce the physical properties in the isothermal-isobaric condition properly. We also develop a multiple time step (MTS) integration scheme with the kinetic energy definition. MD simulations with the MTS integration for the DPPC and water box systems provided the same quantities as the velocity Verlet integration method, even when the thermostat and barostat are updated less frequently.
Liu, Youshan; Teng, Jiwen; Xu, Tao; Badal, José; Liu, Qinya; Zhou, Bing
2017-05-01
We carry out full waveform inversion (FWI) in time domain based on an alternative frequency-band selection strategy that allows us to implement the method with success. This strategy aims at decomposing the seismic data within partially overlapped frequency intervals by carrying out a concatenated treatment of the wavelet to largely avoid redundant frequency information to adapt to wavelength or wavenumber coverage. A pertinent numerical test proves the effectiveness of this strategy. Based on this strategy, we comparatively analyze the effects of update parameters for the nonlinear conjugate gradient (CG) method and step-length formulas on the multiscale FWI through several numerical tests. The investigations of up to eight versions of the nonlinear CG method with and without Gaussian white noise make clear that the HS (Hestenes and Stiefel in J Res Natl Bur Stand Sect 5:409-436, 1952), CD (Fletcher in Practical methods of optimization vol. 1: unconstrained optimization, Wiley, New York, 1987), and PRP (Polak and Ribière in Revue Francaise Informat Recherche Opertionelle, 3e Année 16:35-43, 1969; Polyak in USSR Comput Math Math Phys 9:94-112, 1969) versions are more efficient among the eight versions, while the DY (Dai and Yuan in SIAM J Optim 10:177-182, 1999) version always yields inaccurate result, because it overestimates the deeper parts of the model. The application of FWI algorithms using distinct step-length formulas, such as the direct method ( Direct), the parabolic search method ( Search), and the two-point quadratic interpolation method ( Interp), proves that the Interp is more efficient for noise-free data, while the Direct is more efficient for Gaussian white noise data. In contrast, the Search is less efficient because of its slow convergence. In general, the three step-length formulas are robust or partly insensitive to Gaussian white noise and the complexity of the model. When the initial velocity model deviates far from the real model or the
Korir, Peter C.; Dejene, Francis B.
2018-04-01
In this work two step growth process was used to prepare Cu(In, Ga)Se2 thin film for solar cell applications. The first step involves deposition of Cu-In-Ga precursor films followed by the selenization process under vacuum using elemental selenium vapor to form Cu(In,Ga)Se2 film. The growth process was done at a fixed temperature of 515 °C for 45, 60 and 90 min to control film thickness and gallium incorporation into the absorber layer film. The X-ray diffraction (XRD) pattern confirms single-phase Cu(In,Ga)Se2 film for all the three samples and no secondary phases were observed. A shift in the diffraction peaks to higher 2θ (2 theta) values is observed for the thin films compared to that of pure CuInSe2. The surface morphology of the resulting film grown for 60 min was characterized by the presence of uniform large grain size particles, which are typical for device quality material. Photoluminescence spectra show the shifting of emission peaks to higher energies for longer duration of selenization attributed to the incorporation of more gallium into the CuInSe2 crystal structure. Electron probe microanalysis (EPMA) revealed a uniform distribution of the elements through the surface of the film. The elemental ratio of Cu/(In + Ga) and Se/Cu + In + Ga strongly depends on the selenization time. The Cu/In + Ga ratio for the 60 min film is 0.88 which is in the range of the values (0.75-0.98) for best solar cell device performances.
Cakar, N; Tuŏrul, M; Demirarslan, A; Nahum, A; Adams, A; Akýncý, O; Esen, F; Telci, L
2001-04-01
To determine the time required for the partial pressure of arterial oxygen (PaO2) to reach equilibrium after a 0.20 increment or decrement in fractional inspired oxygen concentration (FIO2) during mechanical ventilation. A multi-disciplinary ICU in a university hospital. Twenty-five adult, non-COPD patients with stable blood gas values (PaO2/FIO2 > or = 180 on the day of the study) on pressure-controlled ventilation (PCV). Following a baseline PaO2 (PaO2b) measurement at FIO2 = 0.35, the FIO2 was increased to 0.55 for 30 min and then decreased to 0.35 without any other change in ventilatory parameters. Sequential blood gas measurements were performed at 3, 5, 7, 9, 11, 15, 20, 25 and 30 min in both periods. The PaO2 values measured at the 30th min after a step change in FIO2 (FIO2 = 0.55, PaO2[55] and FIO2 = 0.35, PaO2[35]) were accepted as representative of the equilibrium values for PaO2. Each patient's rise and fall in PaO2 over time, PaO2(t), were fitted to the following respective exponential equations: PaO2b + (PaO2[55]-PaO2b)(1-e-kt) and PaO2[55] + (PaO2[35]-PaO2[55])(e-kt) where "t" refers to time, PaO2[55] and PaO2[35] are the final PaO2 values obtained at a new FIO2 of 0.55 and 0.35, after a 0.20 increment and decrement in FIO2, respectively. Time constant "k" was determined by a non-linear fitting curve and 90% oxygenation times were defined as the time required to reach 90% of the final equilibrated PaO2 calculated by using the non-linear fitting curves. Time constant values for the rise and fall periods were 1.01 +/- 0.71 min-1, 0.69 +/- 0.42 min-1, respectively, and 90% oxygenation times for rises and falls in PaO2 periods were 4.2 +/- 4.1 min-1 and 5.5 +/- 4.8 min-1, respectively. There was no significant difference between the rise and fall periods for the two parameters (p > 0.05). We conclude that in stable patients ventilated with PCV, after a step change in FIO2 of 0.20, 5-10 min will be adequate for obtaining a blood gas sample to measure a Pa
Kinetic equation solution by inverse kinetic method
International Nuclear Information System (INIS)
Salas, G.
1983-01-01
We propose a computer program (CAMU) which permits to solve the inverse kinetic equation. The CAMU code is written in HPL language for a HP 982 A microcomputer with a peripheral interface HP 9876 A ''thermal graphic printer''. The CAMU code solves the inverse kinetic equation by taking as data entry the output of the ionization chambers and integrating the equation with the help of the Simpson method. With this program we calculate the evolution of the reactivity in time for a given disturbance
Agapitov, O. V.; Mozer, F.; Artemyev, A.; Krasnoselskikh, V.; Lejosne, S.
2014-12-01
A huge number of different non-linear structures (double layers, electron holes, non-linear whistlers, etc) have been observed by the electric field experiment on the Van Allen Probes in conjunction with relativistic electron acceleration in the Earth's outer radiation belt. These structures, found as short duration (~0.1 msec) quasi-periodic bursts of electric field in the high time resolution electric field waveform, have been called Time Domain Structures (TDS). They can quite effectively interact with radiation belt electrons. Due to the trapping of electrons into these non-linear structures, they are accelerated up to ~10 keV and their pitch angles are changed, especially for low energies (˜1 keV). Large amplitude electric field perturbations cause non-linear resonant trapping of electrons into the effective potential of the TDS and these electrons are then accelerated in the non-homogeneous magnetic field. These locally accelerated electrons create the "seed population" of several keV electrons that can be accelerated by coherent, large amplitude, upper band whistler waves to MeV energies in this two step acceleration process. All the elements of this chain acceleration mechanism have been observed by the Van Allen Probes.
DEFF Research Database (Denmark)
2009-01-01
A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises.......A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises....
International Nuclear Information System (INIS)
Fowler, Jack F.; Limbergen, Erik F.M. van
1997-01-01
Purpose: To explore the possible increase of radiation effect in tissues irradiated by pulsed brachytherapy (PDR) for local tissue dose rates between those 'averaged over the whole pulse' and the instantaneous high dose rates close to the dwell positions. Increased effect is more likely for tissues with short half-times of repair of the order of a few minutes, similar to pulse durations. Methods and Materials: Calculations were done assuming the linear quadratic formula for radiation damage, in which only the dose-squared term is subject to exponential repair. The situation with two components of T (1(2)) is addressed. A constant overall time of 140 h and a constant total dose of 70 Gy were assumed throughout, the continuous low dose rate of 0.5 Gy/h (CLDR) providing the unitary standard effects for each PDR condition. Effects of dose rates ranging from 4 Gy/h to 120 Gy/h (HDR at 2 Gy/min) were studied, covering the gap in an earlier publication. Four schedules were examined: doses per pulse of 0.5, 1, 1.5, and 2 Gy given at repetition frequencies of 1, 2, 3, and 4 h, respectively, each with a range of assumed half-times of repair of 4 min to 1.5 h. Results are presented for late-responding tissues, the differences from CLDR being two or three times greater than for early-responding tissues and most tumors. Results: Curves are presented relating the ratio of increased biological effect (proportional to log cell kill) calculated for PDR relative to CLDR. Ratios as high as 1.5 can be found for large doses per pulse (2 Gy) if the half-time of repair in tissues is as short as a few minutes. The major influences on effect are dose per pulse, half-time of repair in tissue, and--when T (1(2)) is short--the instantaneous dose rate. Maximum ratios of PDR/CLDR occur when the dose rate is such that pulse duration is approximately equal to T (1(2)) . As dose rate in the pulse is increased, a plateau of effect is reached, for most T (1(2)) s, above 10 to 20 Gy/h, which is
Evidence for Dynamic Chemical Kinetics at Individual Molecular Ruthenium Catalysts.
Easter, Quinn T; Blum, Suzanne A
2018-02-05
Catalytic cycles are typically depicted as possessing time-invariant steps with fixed rates. Yet the true behavior of individual catalysts with respect to time is unknown, hidden by the ensemble averaging inherent to bulk measurements. Evidence is presented for variable chemical kinetics at individual catalysts, with a focus on ring-opening metathesis polymerization catalyzed by the second-generation Grubbs' ruthenium catalyst. Fluorescence microscopy is used to probe the chemical kinetics of the reaction because the technique possesses sufficient sensitivity for the detection of single chemical reactions. Insertion reactions in submicron regions likely occur at groups of many (not single) catalysts, yet not so many that their unique kinetic behavior is ensemble averaged. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Chemical kinetic modeling of H{sub 2} applications
Energy Technology Data Exchange (ETDEWEB)
Marinov, N.M.; Westbrook, C.K.; Cloutman, L.D. [Lawrence Livermore National Lab., CA (United States)] [and others
1995-09-01
Work being carried out at LLNL has concentrated on studies of the role of chemical kinetics in a variety of problems related to hydrogen combustion in practical combustion systems, with an emphasis on vehicle propulsion. Use of hydrogen offers significant advantages over fossil fuels, and computer modeling provides advantages when used in concert with experimental studies. Many numerical {open_quotes}experiments{close_quotes} can be carried out quickly and efficiently, reducing the cost and time of system development, and many new and speculative concepts can be screened to identify those with sufficient promise to pursue experimentally. This project uses chemical kinetic and fluid dynamic computational modeling to examine the combustion characteristics of systems burning hydrogen, either as the only fuel or mixed with natural gas. Oxidation kinetics are combined with pollutant formation kinetics, including formation of oxides of nitrogen but also including air toxics in natural gas combustion. We have refined many of the elementary kinetic reaction steps in the detailed reaction mechanism for hydrogen oxidation. To extend the model to pressures characteristic of internal combustion engines, it was necessary to apply theoretical pressure falloff formalisms for several key steps in the reaction mechanism. We have continued development of simplified reaction mechanisms for hydrogen oxidation, we have implemented those mechanisms into multidimensional computational fluid dynamics models, and we have used models of chemistry and fluid dynamics to address selected application problems. At the present time, we are using computed high pressure flame, and auto-ignition data to further refine the simplified kinetics models that are then to be used in multidimensional fluid mechanics models. Detailed kinetics studies have investigated hydrogen flames and ignition of hydrogen behind shock waves, intended to refine the detailed reactions mechanisms.
Murshed, M Mangir; Schmidt, Burkhard C; Kuhs, Werner F
2010-01-14
The kinetics of CH(4)-C(2)H(6) replacement in gas hydrates has been studied by in situ neutron diffraction and Raman spectroscopy. Deuterated ethane structure type I (C(2)H(6) sI) hydrates were transformed in a closed volume into methane-ethane mixed structure type II (CH(4)-C(2)H(6) sII) hydrates at 5 MPa and various temperatures in the vicinity of 0 degrees C while followed by time-resolved neutron powder diffraction on D20 at ILL, Grenoble. The role of available surface area of the sI starting material on the formation kinetics of sII hydrates was studied. Ex situ Raman spectroscopic investigations were carried out to crosscheck the gas composition and the distribution of the gas species over the cages as a function of structure type and compared to the in situ neutron results. Raman micromapping on single hydrate grains showed compositional and structural gradients between the surface and core of the transformed hydrates. Moreover, the observed methane-ethane ratio is very far from the one expected for a formation from a constantly equilibrated gas phase. The results also prove that gas replacement in CH(4)-C(2)H(6) hydrates is a regrowth process involving the nucleation of new crystallites commencing at the surface of the parent C(2)H(6) sI hydrate with a progressively shrinking core of unreacted material. The time-resolved neutron diffraction results clearly indicate an increasing diffusion limitation of the exchange process. This diffusion limitation leads to a progressive slowing down of the exchange reaction and is likely to be responsible for the incomplete exchange of the gases.
Experiments were carried out to evaluate, using in vitro and in situ techniques, the effects of three inclusion levels of calcium oxide (0, 5, and 10 g/kg of sugarcane fresh matter) and four exposure times (0, 24, 48, and 72 h) of sugarcane to calcium oxide on the chemical composition and digestive ...
Fels, van der H.J.; Capuano, E.; Nguyen, H.T.; Mogol, B.A.; Kocadagli, T.; Goncuoglu Tas, N.; Hamzalioglu, A.; Boekel, van M.A.J.S.; Gokmen, V.
2014-01-01
The present study aimed to investigate the effect of recipe and temperature–time on the formation of acrylamide and 5-hydroxymethylfurfural (HMF) during biscuit baking. Baking experiments were performed with biscuits of two different recipes, with and without NaCl, at 180 °C, 190 °C and 200 °C.
Directory of Open Access Journals (Sweden)
Asir Gani
2016-12-01
Full Text Available Time-dependent aqueous extraction of six tea types was carried out with leaf–water–ratio of 0.5 g/100 ml, temperature of extraction 90°C and time of extraction ranging from 1 to 10 min. UV–vis spectroscopic analysis in the range varying from 220 to 900 nm of the aqueous tea extracts showed a prominent peak at 273 nm in the ultraviolet region which can be associated with n → π* electronic transition of caffeine molecules. Parabolic diffusion, Power law, hyperbolic, Weibull’s and Elovich’s models were fitted to represent the aqueous soluble component extraction behaviour for time-dependent extraction of aqueous extractables. Parabolic diffusion model, Power law and Elovich’s model were a close fit to the experimental data for all the selected tea types with correlation coefficients (R2 ranging 0.8029–0.9953, whereas hyperbolic and Weibull’s models showed poor fitness to represent the extraction behaviour of fanning and AO leaf, LD, fanning and dust, respectively, with R2 < 0.8, for time-dependent aqueous soluble component extraction.
Bile salt-induced cholesterol crystal formation from model bile vesicles: a time course study
van de Heijning, B. J.; Stolk, M. F.; van Erpecum, K. J.; Renooij, W.; Groen, A. K.; vanBerge-Henegouwen, G. P.
1994-01-01
Precipitation of cholesterol crystals from vesicles is an important step in the pathogenesis of cholesterol gallstones. Little is known, however, about the kinetics and the mechanisms involved in cholesterol crystallization. Therefore, the time course of cholesterol crystal precipitation and lipid
Energy Technology Data Exchange (ETDEWEB)
Laitinen, T.
2013-11-01
This thesis is based on the construction of a two-step laser desorption-ionization aerosol time-of-flight mass spectrometer (laser AMS), which is capable of measuring 10 to 50 nm aerosol particles collected from urban and rural air at-site and in near real time. The operation and applicability of the instrument was tested with various laboratory measurements, including parallel measurements with filter collection/chromatographic analysis, and then in field experiments in urban environment and boreal forest. Ambient ultrafine aerosol particles are collected on a metal surface by electrostatic precipitation and introduced to the time-of-flight mass spectrometer (TOF-MS) with a sampling valve. Before MS analysis particles are desorbed from the sampling surface with an infrared laser and ionized with a UV laser. The formed ions are guided to the TOF-MS by ion transfer optics, separated according to their m/z ratios, and detected with a micro channel plate detector. The laser AMS was used in urban air studies to quantify the carbon cluster content in 50 nm aerosol particles. Standards for the study were produced from 50 nm graphite particles, suspended in toluene, with 72 hours of high power sonication. The results showed the average amount of carbon clusters (winter 2012, Helsinki, Finland) in 50 nm particles to be 7.2% per sample. Several fullerenes/fullerene fragments were detected during the measurements. In boreal forest measurements, the laser AMS was capable of detecting several different organic species in 10 to 50 nm particles. These included nitrogen-containing compounds, carbon clusters, aromatics, aliphatic hydrocarbons, and oxygenated hydrocarbons. A most interesting event occurred during the boreal forest measurements in spring 2011 when the chemistry of the atmosphere clearly changed during snow melt. On that time concentrations of laser AMS ions m/z 143 and 185 (10 nm particles) increased dramatically. Exactly at the same time, quinoline concentrations
International Nuclear Information System (INIS)
Moreau, D.; Mazon, D.; Ariola, M.; Tommasi, G. De; Laborde, L.; Piccolo, F.; Sartori, F.; Zabeo, L.; Boboc, A.; Brix, M.; Challis, C.D.; Felton, R.; Hawkes, N.; Tala, T.; Bouvier, E.; Cordoliani, V.; Brzozowski, J.; Cocilovo, V.; Crisanti, F.; Luna, E. de la
2008-01-01
Real-time simultaneous control of several radially distributed magnetic and kinetic plasma parameters is being investigated on JET, in view of developing integrated control of advanced tokamak scenarios. This paper describes the new model-based profile controller which has been implemented during the 2006-2007 experimental campaigns. The controller aims to use the combination of heating and current drive (H and CD) systems-and optionally the poloidal field (PF) system-in an optimal way to regulate the evolution of plasma parameter profiles such as the safety factor, q(x), and gyro-normalized temperature gradient, ρ Te *(x). In the first part of the paper, a technique for the experimental identification of a minimal dynamic plasma model is described, taking into account the physical structure and couplings of the transport equations, but making no quantitative assumptions on the transport coefficients or on their dependences. To cope with the high dimensionality of the state space and the large ratio between the time scales involved, the model identification procedure and the controller design both make use of the theory of singularly perturbed systems by means of a two-time-scale approximation. The second part of the paper provides the theoretical basis for the controller design. The profile controller is articulated around two composite feedback loops operating on the magnetic and kinetic time scales, respectively, and supplemented by a feedforward compensation of density variations. For any chosen set of target profiles, the closest self-consistent state achievable with the available actuators is uniquely defined. It is reached, with no steady state offset, through a near-optimal proportional-integral control algorithm. Conventional optimal control is recovered in the limiting case where the ratio of the plasma confinement time to the resistive diffusion time tends to zero. Closed-loop simulations of the controller response have been performed in preparation for
Cavaglieri, Daniele; Bewley, Thomas; Mashayek, Ali
2015-11-01
We present a new code, Diablo 2.0, for the simulation of the incompressible NSE in channel and duct flows with strong grid stretching near walls. The code leverages the fractional step approach with a few twists. New low-storage IMEX (implicit-explicit) Runge-Kutta time-marching schemes are tested which are superior to the traditional and widely-used CN/RKW3 (Crank-Nicolson/Runge-Kutta-Wray) approach; the new schemes tested are L-stable in their implicit component, and offer improved overall order of accuracy and stability with, remarkably, similar computational cost and storage requirements. For duct flow simulations, our new code also introduces a new smoother for the multigrid solver for the pressure Poisson equation. The classic approach, involving alternating-direction zebra relaxation, is replaced by a new scheme, dubbed tweed relaxation, which achieves the same convergence rate with roughly half the computational cost. The code is then tested on the simulation of a shear flow instability in a duct, a classic problem in fluid mechanics which has been the object of extensive numerical modelling for its role as a canonical pathway to energetic turbulence in several fields of science and engineering.
Kaald, Rune; Eggen, Trym; Ytterdal, Trond
2017-02-01
Fully digitized 2D ultrasound transducer arrays require one ADC per channel with a beamforming architecture consuming low power. We give design considerations for per-channel digitization and beamforming, and present the design and measurements of a continuous time delta-sigma modulator (CTDSM) for cardiac ultrasound applications. By integrating a mixer into the modulator frontend, the phase and frequency of the input signal can be shifted, thereby enabling both improved conversion efficiency and narrowband beamforming. To minimize the power consumption, we propose an optimization methodology using a simulated annealing framework combined with a C++ simulator solving linear electrical networks. The 3rd order single-bit feedback type modulator, implemented in a 65 nm CMOS process, achieves an SNR/SNDR of 67.8/67.4 dB across 1 MHz bandwidth consuming 131 [Formula: see text] of power. The achieved figure of merit of 34.2 fJ/step is comparable with state-of-the-art feedforward type multi-bit designs. We further demonstrate the influence to the dynamic range when performing dynamic receive beamforming on recorded delta-sigma modulated bit-stream sequences.
Role of step stiffness and kinks in the relaxation of vicinal (001) with zigzag [110] steps
Mahjoub, B.; Hamouda, Ajmi BH.; Einstein, TL.
2017-08-01
We present a kinetic Monte Carlo study of the relaxation dynamics and steady state configurations of 〈110〉 steps on a vicinal (001) simple cubic surface. This system is interesting because 〈110〉 (fully kinked) steps have different elementary excitation energetics and favor step diffusion more than 〈100〉 (nominally straight) steps. In this study we show how this leads to different relaxation dynamics as well as to different steady state configurations, including that 2-bond breaking processes are rate determining for 〈110〉 steps in contrast to 3-bond breaking processes for 〈100〉-steps found in previous work [Surface Sci. 602, 3569 (2008)]. The analysis of the terrace-width distribution (TWD) shows a significant role of kink-generation-annihilation processes during the relaxation of steps: the kinetic of relaxation, toward the steady state, is much faster in the case of 〈110〉-zigzag steps, with a higher standard deviation of the TWD, in agreement with a decrease of step stiffness due to orientation. We conclude that smaller step stiffness leads inexorably to faster step dynamics towards the steady state. The step-edge anisotropy slows the relaxation of steps and increases the strength of step-step effective interactions.
Biris, Alexandru S.; Galanzha, Ekaterina I.; Li, Zhongrui; Mahmood, Meena; Xu, Yang; Zharov, Vladimir P.
2009-03-01
Nanoparticles are intensively being explored as contrast agents for medical diagnostics and therapies using various optical methods. We present the first demonstration of the use of time-resolved Raman spectroscopy for in vivo real-time detection of circulating carbon nanotubes (CNTs) or cancer cells labeled with CNTs in the lymph, blood, and tissues of live animals with fast spectral acquisition times of down to few milliseconds. After intravenously administering CNTs in the tail vein of the rat, this technique provides the ability to detect the circulation of CNTs in the blood microvessels of the intact rat ear. The capability of Raman spectroscopy is also demonstrated to monitor, identify, and image the CNTs during their transportation by lymphatics in the rat ear and mesentery. The strong and specific Raman scattering properties of CNTs make it possible to detect in vitro and in vivo single cancer cells (HeLa) tagged with CNTs. In vivo Raman flow cytometry opens a new avenue for multiparameter analysis of circulating nanoparticles with strong Raman scattering properties and their pharmokinetics in blood and lymph systems. Moreover, this technology has the potential for molecular detection and identification of circulating tumor cells, and infections labeled with CNTs.
Shin, Sangmun; Choi, Du Hyung; Truong, Nguyen Khoa Viet; Kim, Nam Ah; Chu, Kyung Rok; Jeong, Seong Hoon
2011-04-04
A new experimental design methodology was developed by integrating the response surface methodology and the time series modeling. The major purposes were to identify significant factors in determining swelling and release rate from matrix tablets and their relative factor levels for optimizing the experimental responses. Properties of tablet swelling and drug release were assessed with ten factors and two default factors, a hydrophilic model drug (terazosin) and magnesium stearate, and compared with target values. The selected input control factors were arranged in a mixture simplex lattice design with 21 experimental runs. The obtained optimal settings for gelation were PEO, LH-11, Syloid, and Pharmacoat with weight ratios of 215.33 (88.50%), 5.68 (2.33%), 19.27 (7.92%), and 3.04 (1.25%), respectively. The optimal settings for drug release were PEO and citric acid with weight ratios of 191.99 (78.91%) and 51.32 (21.09%), respectively. Based on the results of matrix swelling and drug release, the optimal solutions, target values, and validation experiment results over time were similar and showed consistent patterns with very small biases. The experimental design methodology could be a very promising experimental design method to obtain maximum information with limited time and resources. It could also be very useful in formulation studies by providing a systematic and reliable screening method to characterize significant factors in the sustained release matrix tablet. Copyright © 2011 Elsevier B.V. All rights reserved.
Regazzi, M B; Russo, D; Iacona, I; Sacchi, S; Visani, G; Lazzarino, M; Avvisati, G; Pelicci, P G; Dastoli, G; Grandi, C; Spreafico, S; Grattoni, R; Galieni, P; Rupoli, S; Maiolo, A M; Guerra, E; Liberati, A M
1998-01-01
This study investigated the pharmacokinetics of tretinoin during alternating cycles of 1 week of tretinoin treatment and 1 week drug-free in patients with Ph1+ chronic myelogenous leukaemia (CML) in the chronic phase. Eighteen patients with CML were treated with tretinoin 80 mg/m(2)/day (in two divided doses) for 7 consecutive days every other week (one cycle = 1 week on/1 week off). Body systemic exposure to tretinoin as determined by the area under the plasma concentration-time curve (AUC) decreased significantly during the first week of drug administration, from (mean +/- SD) 678.3 +/- 498.1 to 258.7 +/- 272.4 microg/L.h. In about 40% of the patients the decline in plasma concentrations was >/=80%, while 17% of the population did not experience any decline. On day 7 of cycle 1, the mean apparent oral clearance (CL/F) was 2.6 times the corresponding value on day 1. After 1 week without tretinoin, the mean AUC on day 1 of cycle 2 was lower (down 15%) but not statistically different from the corresponding value observed on day 1 of cycle 1; 62% of patients showed an increase in the AUC, which was 40% higher than the corresponding value on day 7 of cycle 1. On day 1 of cycle 6, the AUC and CL/F of tretinoin during a dosage interval were not statistically different from those observed on day 1 of cycle 1 and cycle 2. On all occasions the peak plasma concentration (C(max)) was strongly correlated to the corresponding AUC. No significant change in the time to observed C(max) (t(max)) and in the elimination half-life (t((1/2))) was observed during the whole study. These results confirmed that the metabolism of tretinoin is rapidly up-regulated in CML patients, with significant declines in plasma drug exposure during the first week of drug administration. After tretinoin was discontinued, a return to the noninduced state followed a mean time-cycle similar to the induction. The strong decrease in the apparent oral drug clearance and the absence of significant variations
International Nuclear Information System (INIS)
1980-10-01
This book is divided into three parts, which is about practical using of stepping motor. The first part has six chapters. The contents of the first part are about stepping motor, classification of stepping motor, basic theory og stepping motor, characteristic and basic words, types and characteristic of stepping motor in hybrid type and basic control of stepping motor. The second part deals with application of stepping motor with hardware of stepping motor control, stepping motor control by microcomputer and software of stepping motor control. The last part mentions choice of stepping motor system, examples of stepping motor, measurement of stepping motor and practical cases of application of stepping motor.
International Nuclear Information System (INIS)
Bortolotti, Villiam; Fantazzini, Paola; Mongiorgi, Romano; Sauro, Salvatore; Zanna, Silvano
2012-01-01
Time-Domain Nuclear Magnetic Resonance (TD-NMR) of 1 H nuclei is used to monitor the maturation up to 30 days of three different endodontic cement pastes. The “Solid–liquid” separation of the NMR signals and quasi-continuous distributions of relaxation times allow one to follow the formation of chemical compounds and the build-up of the nano- and subnano-structured C–S–H gel. 1 H populations, distinguished by their different mobilities, can be identified and assigned to water confined within the pores of the C–S–H gel, to crystallization water and Portlandite, and to hydroxyl groups. Changes of the TD-NMR parameters during hydration are in agreement with the expected effects of the different additives, which, as it is known, can substantially modify the rate of reactions and the properties of cementitious pastes. Endodontic cements are suitable systems to check the ability of this non-destructive technique to give insight into the complex hydration process of real cement pastes.
Directory of Open Access Journals (Sweden)
Mojtaba Ahmadi
2016-11-01
Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.
Directory of Open Access Journals (Sweden)
Delogu Mauro
2006-05-01
Full Text Available Abstract Background Avian influenza viruses (AIVs are endemic in wild birds and their introduction and conversion to highly pathogenic avian influenza virus in domestic poultry is a cause of serious economic losses as well as a risk for potential transmission to humans. The ability to rapidly recognise AIVs in biological specimens is critical for limiting further spread of the disease in poultry. The advent of molecular methods such as real time polymerase chain reaction has allowed improvement of detection methods currently used in laboratories, although not all of these methods include an Internal Positive Control (IPC to monitor for false negative results. Therefore we developed a one-step reverse transcription real time PCR (RRT-PCR with a Minor Groove Binder (MGB probe for the detection of different subtypes of AIVs. This technique also includes an IPC. Methods RRT-PCR was developed using an improved TaqMan technology with a MGB probe to detect AI from reference viruses. Primers and probe were designed based on the matrix gene sequences from most animal and human A influenza virus subtypes. The specificity of RRT-PCR was assessed by detecting influenza A virus isolates belonging to subtypes from H1–H13 isolated in avian, human, swine and equine hosts. The analytical sensitivity of the RRT-PCR assay was determined using serial dilutions of in vitro transcribed matrix gene RNA. The use of a rodent RNA as an IPC in order not to reduce the efficiency of the assay was adopted. Results The RRT-PCR assay is capable to detect all tested influenza A viruses. The detection limit of the assay was shown to be between 5 and 50 RNA copies per reaction and the standard curve demonstrated a linear range from 5 to 5 × 108 copies as well as excellent reproducibility. The analytical sensitivity of the assay is 10–100 times higher than conventional RT-PCR. Conclusion The high sensitivity, rapidity, reproducibility and specificity of the AIV RRT-PCR with
Sorger, Bettina; Kamp, Tabea; Weiskopf, Nikolaus; Peters, Judith Caroline; Goebel, Rainer
2018-05-15
Brain-computer interfaces (BCIs) based on real-time functional magnetic resonance imaging (rtfMRI) are currently explored in the context of developing alternative (motor-independent) communication and control means for the severely disabled. In such BCI systems, the user encodes a particular intention (e.g., an answer to a question or an intended action) by evoking specific mental activity resulting in a distinct brain state that can be decoded from fMRI activation. One goal in this context is to increase the degrees of freedom in encoding different intentions, i.e., to allow the BCI user to choose from as many options as possible. Recently, the ability to voluntarily modulate spatial and/or temporal blood oxygenation level-dependent (BOLD)-signal features has been explored implementing different mental tasks and/or different encoding time intervals, respectively. Our two-session fMRI feasibility study systematically investigated for the first time the possibility of using magnitudinal BOLD-signal features for intention encoding. Particularly, in our novel paradigm, participants (n=10) were asked to alternately self-regulate their regional brain-activation level to 30%, 60% or 90% of their maximal capacity by applying a selected activation strategy (i.e., performing a mental task, e.g., inner speech) and modulation strategies (e.g., using different speech rates) suggested by the experimenters. In a second step, we tested the hypothesis that the additional availability of feedback information on the current BOLD-signal level within a region of interest improves the gradual-self regulation performance. Therefore, participants were provided with neurofeedback in one of the two fMRI sessions. Our results show that the majority of the participants were able to gradually self-regulate regional brain activation to at least two different target levels even in the absence of neurofeedback. When provided with continuous feedback on their current BOLD-signal level, most
Energy Technology Data Exchange (ETDEWEB)
Pradhan, Santosh K., E-mail: santosh@aerb.gov.in [Nuclear Safety Analysis Division, Atomic Energy Regulatory Board, Mumbai 400094 (India); Obaidurrahman, K. [Nuclear Safety Analysis Division, Atomic Energy Regulatory Board, Mumbai 400094 (India); Iyer, Kannan N. [Department of Mechanical Engineering, IIT Bombay, Mumbai 400076 (India); Gaikwad, Avinash J. [Nuclear Safety Analysis Division, Atomic Energy Regulatory Board, Mumbai 400094 (India)
2016-04-15
Highlights: • A multi-point kinetics model is developed for RELAP5 system thermal hydraulics code. • Model is validated against extensive 3D kinetics code. • RELAP5 multi-point kinetics formulation is used to investigate critical break for LOCA in PHWR. - Abstract: Point kinetics approach in system code RELAP5 limits its use for many of the reactivity induced transients, which involve asymmetric core behaviour. Development of fully coupled 3D core kinetics code with system thermal-hydraulics is the ultimate requirement in this regard; however coupling and validation of 3D kinetics module with system code is cumbersome and it also requires access to source code. An intermediate approach with multi-point kinetics is appropriate and relatively easy to implement for analysis of several asymmetric transients for large cores. Multi-point kinetics formulation is based on dividing the entire core into several regions and solving ODEs describing kinetics in each region. These regions are interconnected by spatial coupling coefficients which are estimated from diffusion theory approximation. This model offers an advantage that associated ordinary differential equations (ODEs) governing multi-point kinetics formulation can be solved using numerical methods to the desired level of accuracy and thus allows formulation based on user defined control variables, i.e., without disturbing the source code and hence also avoiding associated coupling issues. Euler's method has been used in the present formulation to solve several coupled ODEs internally at each time step. The results have been verified against inbuilt point-kinetics models of RELAP5 and validated against 3D kinetics code TRIKIN. The model was used to identify the critical break in RIH of a typical large PHWR core. The neutronic asymmetry produced in the core due to the system induced transient was effectively handled by the multi-point kinetics model overcoming the limitation of in-built point kinetics model
Stiffness Confinement Method with Pseudo Absorption for Spatial Kinetics
International Nuclear Information System (INIS)
Park, Beom Woo; Joo, Han Gyu; Chao, Yungan
2013-01-01
The primary advantage of the SCM is that it is possible to use larger time step sizes. This advantage comes from the fact because the SCM involves the solution of an eigenvalue problem instead of the ordinary form of a fixed source problem. Since using a large time step size is strongly desired in the direct whole core transport calculation for transient problems, we investigate here the SCM for spatial kinetics first with a simple one-dimensional, one-group diffusion equation and propose an improved formulation. The performance of the improved SCM for spatial kinetics is assessed by comparing the SCM solutions with the standard method solutions employing the Crank-Nicholson method with exponential transform. The stiffness confinement method for spatial kinetics was refined with the pseudo absorption term representing the dynamic frequencies. It was verified that the proposed SCM works much better than the Crank-Nicholson method with exponential transform in that time step sizes larger than 20 msec can be using in a super prompt-critical transient involving 1.5$ reactivity insertion
Stiffness Confinement Method with Pseudo Absorption for Spatial Kinetics
Energy Technology Data Exchange (ETDEWEB)
Park, Beom Woo; Joo, Han Gyu [Seoul National Univ., Seoul (Korea, Republic of); Chao, Yungan [Retired in China, Beijing (China)
2013-05-15
The primary advantage of the SCM is that it is possible to use larger time step sizes. This advantage comes from the fact because the SCM involves the solution of an eigenvalue problem instead of the ordinary form of a fixed source problem. Since using a large time step size is strongly desired in the direct whole core transport calculation for transient problems, we investigate here the SCM for spatial kinetics first with a simple one-dimensional, one-group diffusion equation and propose an improved formulation. The performance of the improved SCM for spatial kinetics is assessed by comparing the SCM solutions with the standard method solutions employing the Crank-Nicholson method with exponential transform. The stiffness confinement method for spatial kinetics was refined with the pseudo absorption term representing the dynamic frequencies. It was verified that the proposed SCM works much better than the Crank-Nicholson method with exponential transform in that time step sizes larger than 20 msec can be using in a super prompt-critical transient involving 1.5$ reactivity insertion.
International Nuclear Information System (INIS)
Peters, A.M.; Lavender, J.P.; Saverymuttu, S.H.
1985-01-01
By using density gradient materials enriched with autologous plasma, the authors have been able to isolate granulocutes from other cellular elements and label them with In-111 without separation from a plasma environment. The kinetic behavior of these cells suggests that phenomena attributed to granulocyte activation are greatly reduced by this labeling. Here, they review their study of granulocyte kinetics in health and disease in hope of quantifying sites of margination and identifying principal sites of destruction. The three principle headings of the paper are distribution, life-span, and destruction
Flow-Based Systems for Rapid and High-Precision Enzyme Kinetics Studies
Directory of Open Access Journals (Sweden)
Supaporn Kradtap Hartwell
2012-01-01
Full Text Available Enzyme kinetics studies normally focus on the initial rate of enzymatic reaction. However, the manual operation of steps of the conventional enzyme kinetics method has some drawbacks. Errors can result from the imprecise time control and time necessary for manual changing the reaction cuvettes into and out of the detector. By using the automatic flow-based analytical systems, enzyme kinetics studies can be carried out at real-time initial rate avoiding the potential errors inherent in manual operation. Flow-based systems have been developed to provide rapid, low-volume, and high-precision analyses that effectively replace the many tedious and high volume requirements of conventional wet chemistry analyses. This article presents various arrangements of flow-based techniques and their potential use in future enzyme kinetics applications.
DEFF Research Database (Denmark)
Jensen, T.R.; Andreasen, A.; Vegge, Tejs
2006-01-01
The dehydrogenation kinetics of pure and nickel (Ni)-doped (2w/w%) magnesium hydride (MgH2) have been investigated by in situ time-resolved powder X-ray diffraction (PXD). Deactivated samples, i.e. air exposed, are investigated in order to focus on the effect of magnesium oxide (MgO) surface layers......, which might be unavoidable for magnesium (Mg)-based storage media for mobile applications. A curved position-sensitive detector covering 120 degrees in 20 and a rotating anode X-ray source provide a time resolution of 45 s and up to 90 powder pattems collected during an experiment under isothermal...... by the Johnson-Mehi-Avrami formalism in order to derive rate constants at different temperatures. The apparent activation energies for dehydrogenation of pure and Ni-doped magnesium hydride were E-A approximate to 300 and 250 kJ/mol, respectively. Differential scanning calorimetry gave, E-A = 270 k...
International Nuclear Information System (INIS)
Miyajima, Shigeyuki; Narukami, Yoshito; Shishido, Hiroaki; Yoshioka, Naohito; Ishida, Takekazu; Fujimaki, Akira; Hidaka, Mutsuo; Oikawa, Kenichi; Harada, Masahide; Oku, Takayuki; Arai, Masatoshi
2015-01-01
We have demonstrated a new superconducting detector for a neutron based on Nb superconductor meanderline with a "1"0B conversion layer. We use a current-biased kinetic inductance detector (CB-KID), which is composed of a meanderline, for detection of a neutron with high spatial resolution and fast response. The thickness of Nb meanderlines is 40 nm and widths are 3 μm, 1 μm, and 0.6 μm. The CB-KIDs are fabricated at the center of the Si chip of the size 22 mm × 22 mm and the total area of CB-KIDs covers 8 mm × 8 mm. The chip was cooled to a temperature lower than 4 K below the transition temperature of Nb using a Gifford-McMahon (GM) cryocooler. The Nb CB-KIDs with a "1"0B conversion layer output the voltage by irradiating pulsed neutrons at the material life science experimental facility (MLF) of Japan Proton Accelerator Research Complex (J-PARC) center. The response time of CB-KIDs is about a few tens ns. We have also obtained the time dependence of neutron flux generated from pulsed neutrons using a CB-KID. Experimental results were in good agreement with the simulated results. (author)
Step out - Step in Sequencing Games
Musegaas, M.; Borm, P.E.M.; Quant, M.
2014-01-01
In this paper a new class of relaxed sequencing games is introduced: the class of Step out - Step in sequencing games. In this relaxation any player within a coalition is allowed to step out from his position in the processing order and to step in at any position later in the processing order.
Step out-step in sequencing games
Musegaas, Marieke; Borm, Peter; Quant, Marieke
2015-01-01
In this paper a new class of relaxed sequencing games is introduced: the class of Step out–Step in sequencing games. In this relaxation any player within a coalition is allowed to step out from his position in the processing order and to step in at any position later in the processing order. First,
Shen, Chong-Heng; Huang, Ling; Lin, Zhou; Shen, Shou-Yu; Wang, Qin; Su, Hang; Fu, Fang; Zheng, Xiao-Mei
2014-08-13
Li-rich layered oxide 0.5Li2MnO3·0.5LiNi0.292Co0.375Mn0.333O2 was prepared by an aqueous solution-evaporation route. X-ray powder diffraction (XRD) showed that the as-synthesized material was a solid solution consisting of layered α-NaFeO2-type LiMO2 (M = Ni, Co, Mn) and monoclinic Li2MnO3. The superlattice spots in the selected area electron diffraction pattern indicated the ordering of lithium ions with transition metal (TM) ions in TM layers in this Li-rich layered oxide. Electrochemical performance testing showed that the as-synthesized material could deliver an initial discharge capacity of 267.7 mAh/g, with a capacity retention of 88.5% after 33 cycles. A new combination technique, multipotential step in situ XRD (MPS in situ XRD) measurement, was applied for the first time to investigate the Li-rich layered oxide. Using this approach, the relationships between kinetics and structural variations can be obtained simutaneously. In situ XRD results showed that the c parameter decreased from 3.70 to 4.30 V and increased from 4.30 to 4.70 V, whereas the a parameter underwent a decrease above 4.30 V during the first charge process. Below 3.90 V during the first discharge process, a slight decrease in the c parameter was found along with an increase in the a parameter. During the first charge process, the value of the coefficient of diffusion for lithium ions (DLi+) decreased to its mininum at 4.55 V, which might be associated with Ni(2+) migration, as indicated by both Ni occupancy in 3b sites (Ni3b%) in the Li(+) layers and complicated chemical reactions. Remarkably, a lattice distortion might occur within the local domain in the host stucture during the first discharge process, indicated by a slight splitting of the (003) diffraction peak at 3.20 V.
Rashed-Ul Islam, S M; Jahan, Munira; Tabassum, Shahina
2015-01-01
Virological monitoring is the best predictor for the management of chronic hepatitis B virus (HBV) infections. Consequently, it is important to use the most efficient, rapid and cost-effective testing systems for HBV DNA quantification. The present study compared the performance characteristics of a one-step HBV polymerase chain reaction (PCR) vs the two-step HBV PCR method for quantification of HBV DNA from clinical samples. A total of 100 samples consisting of 85 randomly selected samples from patients with chronic hepatitis B (CHB) and 15 samples from apparently healthy individuals were enrolled in this study. Of the 85 CHB clinical samples tested, HBV DNA was detected from 81% samples by one-step PCR method with median HBV DNA viral load (VL) of 7.50 × 10 3 lU/ml. In contrast, 72% samples were detected by the two-step PCR system with median HBV DNA of 3.71 × 10 3 lU/ml. The one-step method showed strong linear correlation with two-step PCR method (r = 0.89; p Tabassum S. Evaluation of a Rapid One-step Real-time PCR Method as a High-throughput Screening for Quantification of Hepatitis B Virus DNA in a Resource-limited Setting. Euroasian J Hepato-Gastroenterol 2015;5(1):11-15.
Receptor binding kinetics equations: Derivation using the Laplace transform method.
Hoare, Sam R J
Measuring unlabeled ligand receptor binding kinetics is valuable in optimizing and understanding drug action. Unfortunately, deriving equations for estimating kinetic parameters is challenging because it involves calculus; integration can be a frustrating barrier to the pharmacologist seeking to measure simple rate parameters. Here, a well-known tool for simplifying the derivation, the Laplace transform, is applied to models of receptor-ligand interaction. The method transforms differential equations to a form in which simple algebra can be applied to solve for the variable of interest, for example the concentration of ligand-bound receptor. The goal is to provide instruction using familiar examples, to enable investigators familiar with handling equilibrium binding equations to derive kinetic equations for receptor-ligand interaction. First, the Laplace transform is used to derive the equations for association and dissociation of labeled ligand binding. Next, its use for unlabeled ligand kinetic equations is exemplified by a full derivation of the kinetics of competitive binding equation. Finally, new unlabeled ligand equations are derived using the Laplace transform. These equations incorporate a pre-incubation step with unlabeled or labeled ligand. Four equations for measuring unlabeled ligand kinetics were compared and the two new equations verified by comparison with numerical solution. Importantly, the equations have not been verified with experimental data because no such experiments are evident in the literature. Equations were formatted for use in the curve-fitting program GraphPad Prism 6.0 and fitted to simulated data. This description of the Laplace transform method will enable pharmacologists to derive kinetic equations for their model or experimental paradigm under study. Application of the transform will expand the set of equations available for the pharmacologist to measure unlabeled ligand binding kinetics, and for other time
Mencke, A P; Caffrey, M
1991-03-05
By using synchrotron radiation, a movie was made of the X-ray scattering pattern from a biological liquid crystal undergoing a phase transition induced by a pressure jump. The system studied includes the fully hydrated phospholipid dihexadecylphosphatidylethanolamine in the lamellar gel (L beta') phase at a temperature of 68 degrees C and a pressure of 9.7 MPa (1400 psig). Following the rapid release of pressure to atmospheric the L beta' phase transforms slowly into the lamellar liquid crystal (L alpha) phase. The pressure perturbation is applied with the intention of producing a sudden phase disequilibrium followed by monitoring the system as it relaxes to its new equilibrium condition. Remarkably, the proportion of sample in the L alpha phase grows linearly with time, taking 37 s to totally consume the L beta' phase. The time dependencies of radius, peak intensity, and width of the powder diffraction ring of the low-angle (001) lamellar reflections were obtained from the movie by image processing. The concept of an "effective pressure" is introduced to account for the temperature variations that accompany the phase transition and to establish that the observed large transit time is indeed intrinsic to the sample and not due to heat exchange with the environment. The reverse transformation, L alpha to L beta', induced by a sudden jump from atmospheric pressure to 9.7 MPa, is complete in less than 13 s. These measurements represent a new approach for studying the kinetics of lipid phase transitions and for gaining insights into the mechanism of the lamellar order/disorder transition.
Energy Technology Data Exchange (ETDEWEB)
Ertaş, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Kocakaplan, Yusuf [Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)
2013-12-15
Dynamic phase diagrams are presented for the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field by use of the effective-field theory with correlations. The dynamic equation of the average magnetization is obtained for the square lattice by utilizing the Glauber-type stochastic process. Dynamic phase diagrams are presented in the reduced temperature and the magnetic field amplitude plane. We also investigated the effect of longitudinal field frequency. Finally, the discussion and comparison of the phase diagrams are given. - Highlights: • Dynamic behaviors in the spin-3/2 Blume–Capel system is investigated by the effective-field theory based on the Glauber-type stochastic dynamics. • The dynamic phase transitions and dynamic phase diagrams are obtained. • The effects of the longitudinal field frequency on the dynamic phase diagrams of the system are investigated. • Dynamic phase diagrams exhibit several ordered phases, coexistence phase regions and several critical points as well as a re-entrant behavior.
International Nuclear Information System (INIS)
Ertaş, Mehmet; Kocakaplan, Yusuf; Keskin, Mustafa
2013-01-01
Dynamic phase diagrams are presented for the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field by use of the effective-field theory with correlations. The dynamic equation of the average magnetization is obtained for the square lattice by utilizing the Glauber-type stochastic process. Dynamic phase diagrams are presented in the reduced temperature and the magnetic field amplitude plane. We also investigated the effect of longitudinal field frequency. Finally, the discussion and comparison of the phase diagrams are given. - Highlights: • Dynamic behaviors in the spin-3/2 Blume–Capel system is investigated by the effective-field theory based on the Glauber-type stochastic dynamics. • The dynamic phase transitions and dynamic phase diagrams are obtained. • The effects of the longitudinal field frequency on the dynamic phase diagrams of the system are investigated. • Dynamic phase diagrams exhibit several ordered phases, coexistence phase regions and several critical points as well as a re-entrant behavior
Moreno, Inmaculada; Molina, Ricardo; Toraño, Alfredo; Laurin, Edurne; García, Esther; Domínguez, Mercedes
2007-01-01
Although Leishmania metacyclic promastigotes are generally considered resistant to human complement, studies of in vitro-cultured axenic stationary promastigotes using serum concentrations that approximate physiological plasma conditions indicate complement sensitivity. Natural Leishmania infection is caused by sand fly-inoculated promastigotes, whose complement resistance has not been analyzed systematically. We compared Leishmania susceptibility to human complement in L. infantum promastigotes derived from in vitro cultures and from sand flies. Phlebotomus perniciosus sand flies were fed with axenic promastigotes, L. infantum-infected U-937 cells, or spleen cells from L. infantum-infected hamsters. On selected days post-feeding, flies were dissected and promastigotes isolated; in addition, axenic promastigotes were obtained from culture at equivalent days of growth. In near-physiological serum concentration and temperature conditions, measurement of real-time kinetics of propidium iodide uptake showed that approximately 90% of axenic- and sand fly-derived promastigotes were rapidly killed by complement. We found no substantial differences between promastigotes from axenic culture, those isolated from flies on different post-feeding days, or those generated in flies fed with distinct inocula. The results indicate that Leishmania susceptibility to human complement is independent of promastigote developmental stage in the sand fly mid-gut and in axenic culture.
Hydrogen kinetics in a-Si:H and a-SiC:H thin films investigated by real-time ERD
Energy Technology Data Exchange (ETDEWEB)
Halindintwali, S., E-mail: shalindintwali@uwc.ac.za [Physics Department, University of the Western Cape, Private Bag X17, Bellville 7535 (South Africa); Khoele, J. [Physics Department, University of the Western Cape, Private Bag X17, Bellville 7535 (South Africa); Nemroaui, O. [Department of Mechatronics, Cape Peninsula University of Technology, P.O. Box 1906, Bellville 7535 (South Africa); Comrie, C.M. [Department of Physics, University of Cape Town, Rondebosch 7700 (South Africa); Materials Research Department, iThemba LABS, P.O. Box 722, Somerset West 7129 (South Africa); Theron, C.C. [Physics Department, University of Pretoria, Private Bag X20, Hatfield 0028 (South Africa)
2015-04-15
Hydrogen effusion from hydrogenated amorphous silicon (a-Si:H) and amorphous silicon carbide (a-Si{sub 1−x}C{sub x}:H) thin films during a temperature ramp between RT and 600 °C was studied by in situ real-time elastic recoil detection analysis. Point to point contour maps show the hydrogen depth profile and its evolution with the ramped temperature. This paper proposes a diffusion limited evolution model to study H kinetic properties from total retained H contents recorded in a single ramp. In a compact a-Si:H layer where H predominantly effuses at high temperatures between 500 and 600 °C, an activation energy value of ∼1.50 eV and a diffusion pre-factor of 0.41 × 10{sup −4} cm{sup 2}/s were obtained. Applied to an non-stoichiometric a-Si{sub 1−x}C{sub x}:H film in the same range of temperature, the model led to reduced values of activation energy and diffusion prefactor of ∼0.33 eV and 0.59 × 10{sup −11} cm{sup 2}/s, respectively.
Del Gallego, R; Sadeghi, S; Blasco, E; Soler, C; Yániz, J L; Silvestre, M A
2017-02-01
Several factors unrelated to the semen samples could be influencing in the sperm motility analysis. The aim of the present research was to study the effect of four chambers with different characteristics, namely; slide-coverslip, Spermtrack, ISAS D4C10, and ISAS D4C20 on the sperm motility. The filling procedure (drop or capillarity) and analysis time (0, 120 and 240s), depth of chamber (10 or 20μm) and field on motility variables were analysed by use of the CASA-mot system in goat sperm. Use of the drop-filling chambers resulted in greater values than capillarity-filling chambers for all sperm motility and kinetic variables, except for LIN (64.5% compared with 56.3% of motility for drop- and capillarity-filling chambers respectively, PCASA-mot system with a drop-loaded chamber within 2min after filling the chamber. Copyright © 2016 Elsevier B.V. All rights reserved.
Mertens, Christopher J.; Mlynczak, Martin G.; Lopez-Puertas, Manuel; Wintersteiner, Peter P.; Picard, Richard H.; Winick, Jeremy R.; Gordley, Larry L.; Russell, James M., III
2002-01-01
The Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) experiment was launched onboard the TIMED satellite in December, 2001. SABER is designed to provide measurements of the key radiative and chemical sources and sinks of energy in the mesosphere and lower thermosphere (MLT). SABER measures Earth limb emission in 10 broadband radiometer channels ranging from 1.27 micrometers to 17 micrometers. Measurements are made both day and night over the latitude range from 54 deg. S to 87 deg. N with alternating hemisphere coverage every 60 days. In this paper we concentrate on retrieved profiles of kinetic temperature (T(sub k)) and CO2 volume mixing ratio (vmr), inferred from SABER-observed 15 micrometer and 4.3 micrometer limb emissions, respectively. SABER-measured limb radiances are in non-local thermodynamic equilibrium (non-LTE) in the MLT region. The complexity of non-LTE radiation transfer combined with the large volume of data measured by SABER requires new retrieval approaches and radiative transfer techniques to accurately and efficiently retrieve the data products. In this paper we present the salient features of the coupled non-LTE T(sub k)/CO2 retrieval algorithm, along with preliminary results.
Directory of Open Access Journals (Sweden)
Stewart Don
2008-05-01
Full Text Available Abstract Background Based upon defining a common reference point, current real-time quantitative PCR technologies compare relative differences in amplification profile position. As such, absolute quantification requires construction of target-specific standard curves that are highly resource intensive and prone to introducing quantitative errors. Sigmoidal modeling using nonlinear regression has previously demonstrated that absolute quantification can be accomplished without standard curves; however, quantitative errors caused by distortions within the plateau phase have impeded effective implementation of this alternative approach. Results Recognition that amplification rate is linearly correlated to amplicon quantity led to the derivation of two sigmoid functions that allow target quantification via linear regression analysis. In addition to circumventing quantitative errors produced by plateau distortions, this approach allows the amplification efficiency within individual amplification reactions to be determined. Absolute quantification is accomplished by first converting individual fluorescence readings into target quantity expressed in fluorescence units, followed by conversion into the number of target molecules via optical calibration. Founded upon expressing reaction fluorescence in relation to amplicon DNA mass, a seminal element of this study was to implement optical calibration using lambda gDNA as a universal quantitative standard. Not only does this eliminate the need to prepare target-specific quantitative standards, it relegates establishment of quantitative scale to a single, highly defined entity. The quantitative competency of this approach was assessed by exploiting "limiting dilution assay" for absolute quantification, which provided an independent gold standard from which to verify quantitative accuracy. This yielded substantive corroborating evidence that absolute accuracies of ± 25% can be routinely achieved. Comparison
Zarghami, Zabihullah; Akbari, Ahmad; Latifi, Ali Mohammad; Amani, Mohammad Ali
2016-04-01
In this research, different generations of PAMAM-grafted chitosan as integrated biosorbents were successfully synthesized via step by step divergent growth approach of dendrimer. The synthesized products were utilized as adsorbents for heavy metals (Pb(2+) in this study) removing from aqueous solution and their reactive Pb(2+) removal potential was evaluated. The results showed that as-synthesized products with higher generations of dendrimer, have more adsorption capacity compared to products with lower generations of dendrimer and sole chitosan. Adsorption capacity of as-prepared product with generation 3 of dendrimer is 18times more than sole chitosan. Thermodynamic and kinetic studies were performed for understanding equilibrium data of the uptake capacity and kinetic rate uptake, respectively. Thermodynamic and kinetic studies showed that Langmuir isotherm model and pseudo second order kinetic model are more compatible for describing equilibrium data of the uptake capacity and kinetic rate of the Pb(2+) uptake, respectively. Copyright © 2016 Elsevier Ltd. All rights reserved.
Kreuzer, Hans Jürgen
1986-01-01
This monograph deals with the kinetics of adsorption and desorption of molecules physisorbed on solid surfaces. Although frequent and detailed reference is made to experiment, it is mainly concerned with the theory of the subject. In this, we have attempted to present a unified picture based on the master equation approach. Physisorption kinetics is by no means a closed and mature subject; rather, in writing this monograph we intended to survey a field very much in flux, to assess its achievements so far, and to give a reasonable basis from which further developments can take off. For this reason we have included many papers in the bibliography that are not referred to in the text but are of relevance to physisorption. To keep this monograph to a reasonable size, and also to allow for some unity in the presentation of the material, we had to omit a number of topics related to physisorption kinetics. We have not covered to any extent the equilibrium properties of physisorbed layers such as structures, phase tr...
International Nuclear Information System (INIS)
Andersson, K.; Mihaylova, D.; Wang, E.; Abrahamsen, L.; Buijs, J.; Bjoerkelund, H.
2015-01-01
Full text of publication follows. With the advent of efficient methods for producing proteins that bind to a defined target, the number of radiolabeled proteins, and in particular antibodies, used for medical imaging and cancer therapy is increasing rapidly. In line with this increase, focus should be put on methods for the quality control (QC). Proper antibody quality is of fundamental importance to guarantee safety and consistent efficacy for the patient. Adequate QC procedures exist for small radiolabeled synthetic compounds like FDG, but antibody based radiopharmaceuticals are different. Proteins are much more complex and fragile than the synthetic compounds, and hence require new methods for adequate characterization and QC. Yet another complication is the labeling where there is a risk that a subpopulation of the protein is damaged to the level that it no longer binds the target. Therefore, a new toolbox is required to fulfill the quality characterization of radiolabeled antibodies. We have developed a QC assay for the simultaneous determination of antibody function, concentration and specific activity. The assay is based on time-resolved detection of the antibody interaction with antigen-coated magnetic beads in LigandTracer instruments. The resulting binding curve is evaluated using reverse kinetic fits, where the known interaction parameters of the antibody-antigen interaction are set constant while as the concentration and signal level are fitted. The assay takes approximately 2 hours and the majority of the time constitutes automated data collection in the instrument. The QC assay has been tested on multiple antibody-antigen interactions and consistently provides repeatable results for concentration and specific activity, both with coefficient of variation (CV) less than 15%. We believe that this QC assay can improve the quality of radiolabeled therapeutic antibodies. (authors)
On the Convexity of Step out - Step in Sequencing Games
Musegaas, Marieke; Borm, Peter; Quant, Marieke
2016-01-01
The main result of this paper is the convexity of Step out - Step in (SoSi) sequencing games, a class of relaxed sequencing games first analyzed by Musegaas, Borm, and Quant (2015). The proof makes use of a polynomial time algorithm determining the value and an optimal processing order for an
Miao, Y J; Xiong, G T; Bai, M Y; Ge, Y; Wu, Z F
2018-05-01
Fresh-cut produce is at greater risk of Salmonella contamination. Detection and early warning systems play an important role in reducing the dissemination of contaminated products. One-step Reverse Transcription Polymerase Chain Reaction (RT-qPCR) targeting Salmonella tmRNA with or without a 6-h enrichment was evaluated for the detection of Salmonella in fresh-cut vegetables after 6-h storage. LOD of one-step RT-qPCR was 1·0 CFU per ml (about 100 copies tmRNA per ml) by assessed 10-fold serially diluted RNA from 10 6 CFU per ml bacteria culture. Then, one-step RT-qPCR assay was applied to detect viable Salmonella cells in 14 fresh-cut vegetables after 6-h storage. Without enrichment, this assay could detect 10 CFU per g for fresh-cut lettuce, cilantro, spinach, cabbage, Chinese cabbage and bell pepper, and 10 2 CFU per g for other vegetables. With a 6-h enrichment, this assay could detect 10 CFU per g for all fresh-cut vegetables used in this study. Moreover, this assay was able to discriminate viable cells from dead cells. This rapid detection assay may provide potential processing control and early warning method in fresh-cut vegetable processing to strengthen food safety assurance. Significance and Impact of the Study: Fresh-cut produce is at greater risk of Salmonella contamination. Rapid detection methods play an important role in reducing the dissemination of contaminated products. One-step RT-qPCR assay used in this study could detect 10 CFU per g Salmonella for 14 fresh-cut vegetables with a 6-h short enrichment. Moreover, this assay was able to discriminate viable cells from dead cells. This rapid detection assay may provide potential processing control and early warning method in fresh-cut vegetable processing to strengthen food safety assurance. © 2018 The Society for Applied Microbiology.
Directory of Open Access Journals (Sweden)
Andreia Leite
2017-04-01
This work shows that most diagnoses examined were recorded with a delay of ≤30 days, making NRTVSS possible. The distribution of the delays was condition-specific and the weekly delay distribution could be used to adjust for delays in the NRTVSS analysis. CPRD can be a viable data source to use in this kind of analysis; next steps will include trial implementation of the system using these data.
International Nuclear Information System (INIS)
Zanuttini, M.S.; Pisarello, M.L.; Querini, C.A.
2014-01-01
Highlights: • Coconut oil contains high levels of phosphorous and free fatty acids. • Especial degumming process is needed in order to decrease the phosphorous content. • Kinetic constant for esterification reaction decreases as a function of time. • Two-step esterification is more efficient to reduce acidity than one-step. • Approximately 15% of esters are formed by acid-catalyzed transesterification. - Abstract: The aim of this work is to study biodiesel production using Butia Yatay coconut oil. This oil has acid values between 109 and 140 mg KOH/g, and phosphorus content in the order of 600 ppm. A three-step degumming pre-treatment of the raw material was adjusted in order to decrease the phosphorus content to approximately 200 ppm. Afterwards, a two-step esterification followed by transesterification was required in order to obtain a high-quality product. The esterification kinetics was studied including the simultaneous reactions that take place during the esterification of free fatty acids: autocatalysis, triacylglycerides hydrolysis, transesterification, and the reaction of sulphuric acid with the alcohol, being the most important ones. The kinetic parameters for the esterification and autocatalysis reactions were also obtained, being different compared to sunflower oil, due to the presence of short chain fatty acids. The kinetic constant for the esterification reaction rapidly decreases as a function of time, due to the consumption of the catalyst by the alkyl-sulphate formation reaction
Kinetics of Pressurized Water Reactors with Hot or Cold Moderators
Energy Technology Data Exchange (ETDEWEB)
Norinder, O
1960-11-15
The set of neutron kinetic equations developed in this report permits the use of long integration steps during stepwise integration. Thermal relations which describe the transfer of heat from fuel to coolant are derived. The influence upon the kinetic behavior of the reactor of a number of parameters is studied. A comparison of the kinetic properties of the hot and cold moderators is given.
Focal cryotherapy: step by step technique description
Directory of Open Access Journals (Sweden)
Cristina Redondo
Full Text Available ABSTRACT Introduction and objective: Focal cryotherapy emerged as an efficient option to treat favorable and localized prostate cancer (PCa. The purpose of this video is to describe the procedure step by step. Materials and methods: We present the case of a 68 year-old man with localized PCa in the anterior aspect of the prostate. Results: The procedure is performed under general anesthesia, with the patient in lithotomy position. Briefly, the equipment utilized includes the cryotherapy console coupled with an ultrasound system, argon and helium gas bottles, cryoprobes, temperature probes and an urethral warming catheter. The procedure starts with a real-time trans-rectal prostate ultrasound, which is used to outline the prostate, the urethra and the rectal wall. The cryoprobes are pretested and placed in to the prostate through the perineum, following a grid template, along with the temperature sensors under ultrasound guidance. A cystoscopy confirms the right positioning of the needles and the urethral warming catheter is installed. Thereafter, the freeze sequence with argon gas is started, achieving extremely low temperatures (-40°C to induce tumor cell lysis. Sequentially, the thawing cycle is performed using helium gas. This process is repeated one time. Results among several series showed a biochemical disease-free survival between 71-93% at 9-70 month- follow-up, incontinence rates between 0-3.6% and erectile dysfunction between 0-42% (1–5. Conclusions: Focal cryotherapy is a feasible procedure to treat anterior PCa that may offer minimal morbidity, allowing good cancer control and better functional outcomes when compared to whole-gland treatment.
Reactor kinetics revisited: a coefficient based model (CBM)
International Nuclear Information System (INIS)
Ratemi, W.M.
2011-01-01
In this paper, a nuclear reactor kinetics model based on Guelph expansion coefficients calculation ( Coefficients Based Model, CBM), for n groups of delayed neutrons is developed. The accompanying characteristic equation is a polynomial form of the Inhour equation with the same coefficients of the CBM- kinetics model. Those coefficients depend on Universal abc- values which are dependent on the type of the fuel fueling a nuclear reactor. Furthermore, such coefficients are linearly dependent on the inserted reactivity. In this paper, the Universal abc- values have been presented symbolically, for the first time, as well as with their numerical values for U-235 fueled reactors for one, two, three, and six groups of delayed neutrons. Simulation studies for constant and variable reactivity insertions are made for the CBM kinetics model, and a comparison of results, with numerical solutions of classical kinetics models for one, two, three, and six groups of delayed neutrons are presented. The results show good agreements, especially for single step insertion of reactivity, with the advantage of the CBM- solution of not encountering the stiffness problem accompanying the numerical solutions of the classical kinetics model. (author)
Ye, Jianchu; Tu, Song; Sha, Yong
2010-10-01
For the two-step transesterification biodiesel production made from the sunflower oil, based on the kinetics model of the homogeneous base-catalyzed transesterification and the liquid-liquid phase equilibrium of the transesterification product, the total methanol/oil mole ratio, the total reaction time, and the split ratios of methanol and reaction time between the two reactors in the stage of the two-step reaction are determined quantitatively. In consideration of the transesterification intermediate product, both the traditional distillation separation process and the improved separation process of the two-step reaction product are investigated in detail by means of the rigorous process simulation. In comparison with the traditional distillation process, the improved separation process of the two-step reaction product has distinct advantage in the energy duty and equipment requirement due to replacement of the costly methanol-biodiesel distillation column. Copyright 2010 Elsevier Ltd. All rights reserved.
Pagba, Cynthia V; McCaslin, Tyler G; Chi, San-Hui; Perry, Joseph W; Barry, Bridgette A
2016-02-25
Photosystem II (PSII) and ribonucleotide reductase employ oxidation and reduction of the tyrosine aromatic ring in radical transport pathways. Tyrosine-based reactions involve either proton-coupled electron transfer (PCET) or electron transfer (ET) alone, depending on the pH and the pKa of tyrosine's phenolic oxygen. In PSII, a subset of the PCET reactions are mediated by a tyrosine-histidine redox-driven proton relay, YD-His189. Peptide A is a PSII-inspired β-hairpin, which contains a single tyrosine (Y5) and histidine (H14). Previous electrochemical characterization indicated that Peptide A conducts a net PCET reaction between Y5 and H14, which have a cross-strand π-π interaction. The kinetic impact of H14 has not yet been explored. Here, we address this question through time-resolved absorption spectroscopy and 280-nm photolysis, which generates a neutral tyrosyl radical. The formation and decay of the neutral tyrosyl radical at 410 nm were monitored in Peptide A and its variant, Peptide C, in which H14 is replaced by cyclohexylalanine (Cha14). Significantly, both electron transfer (ET, pL 11, L = lyonium) and PCET (pL 9) were accelerated in Peptide A and C, compared to model tyrosinate or tyrosine at the same pL. Increased electronic coupling, mediated by the peptide backbone, can account for this rate acceleration. Deuterium exchange gave no significant solvent isotope effect in the peptides. At pL 9, but not at pL 11, the reaction rate decreased when H14 was mutated to Cha14. This decrease in rate is attributed to an increase in reorganization energy in the Cha14 mutant. The Y5-H14 mechanism in Peptide A is reminiscent of proton- and electron-transfer events involving YD-H189 in PSII. These results document a mechanism by which proton donors and acceptors can regulate the rate of PCET reactions.
Getty, Stephanie A.; Brinckerhoff, William B.; Li, Xiang; Elsila, Jamie; Cornish, Timothy; Ecelberger, Scott; Wu, Qinghao; Zare, Richard
2014-01-01
Two-step laser desorption mass spectrometry is a well suited technique to the analysis of high priority classes of organics, such as polycyclic aromatic hydrocarbons, present in complex samples. The use of decoupled desorption and ionization laser pulses allows for sensitive and selective detection of structurally intact organic species. We have recently demonstrated the implementation of this advancement in laser mass spectrometry in a compact, flight-compatible instrument that could feasibly be the centerpiece of an analytical science payload as part of a future spaceflight mission to a small body or icy moon.
International Nuclear Information System (INIS)
Hicks, D.R.; Kraml, M.; Cayen, M.N.; Dubuc, J.; Ryder, S.; Dvornik, D.
1984-01-01
The kinetics of tolrestat, a potent inhibitor of aldose reductase, were examined. Serum concentrations of tolrestat and of total 14 C were measured after dosing normal subjects and subjects with diabetes with 14 C-labeled tolrestat. In normal subjects, tolrestat was rapidly absorbed and disappearance from serum was biphasic. Distribution and elimination t 1/2s were approximately 2 and 10 to 12 hr, respectively, after single and multiple doses. Unchanged tolrestat accounted for the major portion of 14 C in serum. Radioactivity was rapidly and completely excreted in urine and feces in an approximate ratio of 2:1. Findings were much the same in subjects with diabetes. In normal subjects, the kinetics of oral tolrestat were independent of dose in the 10 to 800 mg range. Repetitive dosing did not result in unexpected cumulation. Tolrestat was more than 99% bound to serum protein; it did not compete with warfarin for binding sites but was displaced to some extent by high concentrations of tolbutamide or salicylate
Energy Technology Data Exchange (ETDEWEB)
Lawrenz, M.
2007-10-30
In the present work the dynamics of CO-molecules on a stepped Pt(111)-surface induced by fs-laser pulses at low temperatures was studied by using laser spectroscopy. In the first part of the work, the laser-induced diffusion for the CO/Pt(111)-system could be demonstrated and modelled successfully for step diffusion. At first, the diffusion of CO-molecules from the step sites to the terrace sites on the surface was traced. The experimentally discovered energy transfer time of 500 fs for this process confirms the assumption of an electronically induced process. In the following it was explained how the experimental results were modelled. A friction coefficient which depends on the electron temperature yields a consistent model, whereas for the understanding of the fluence dependence and time-resolved measurements parallel the same set of parameters was used. Furthermore, the analysis was extended to the CO-terrace diffusion. Small coverages of CO were adsorbed to the terraces and the diffusion was detected as the temporal evolution of the occupation of the step sites acting as traps for the diffusing molecules. The additional performed two-pulse correlation measurements also indicate an electronically induced process. At the substrate temperature of 40 K the cross-correlation - where an energy transfer time of 1.8 ps was extracted - suggests also an electronically induced energy transfer mechanism. Diffusion experiments were performed for different substrate temperatures. (orig.)
On a closed form solution of the point kinetics equations with reactivity feedback of temperature
International Nuclear Information System (INIS)
Silva, Jeronimo J.A.; Vilhena, Marco T.M.B.; Petersen, Claudio Z.; Bodmann, Bardo E.J.; Alvim, Antonio C.M.
2011-01-01
An analytical solution of the point kinetics equations to calculate reactivity as a function of time by the Decomposition method has recently appeared in the literature. In this paper, we go one step forward, by considering the neutron point kinetics equations together with temperature feedback effects. To accomplish that, we extended the point kinetics by a temperature perturbation, obtaining a second order nonlinear ordinary differential equation. This equation is then solved by the Decomposition Method, that is, by expanding the neutron density in a series and the nonlinear terms into Adomian Polynomials. Substituting these expansions into the nonlinear ordinary equation, we construct a recursive set of linear problems that can be solved by the methodology previously mentioned for the point kinetics equation. We also report on numerical simulations and comparisons against literature results. (author)
International Nuclear Information System (INIS)
Barros, R.C. de.
1992-05-01
Presented here is a new numerical nodal method for the simulation of the axial power distribution within nuclear reactors using the one-dimensional one speed kinetics diffusion model with one group of delayed neutron precursors. Our method is based on a spectral analysis of the nodal kinetics equations. These equations are obtained by integrating the original kinetics equations separately over a time step and over a spatial node, and then considering flat approximations for the forward difference terms. These flat approximations are the only approximations that are considered in the method. As a result, the spectral nodal method for space - time reactor kinetics generates numerical solutions for space independent problems or for time independent problems that are completely free from truncation errors. We show numerical results to illustrate the method's accuracy for coarse mesh calculations. (author)
A new method to characterize the kinetics of cholinesterases inhibited by carbamates.
Xiao, Qiaoling; Zhou, Huimin; Wei, Hong; Du, Huaqiao; Tan, Wen; Zhan, Yiyi; Pistolozzi, Marco
2017-09-10
The inhibition of cholinesterases (ChEs) by carbamates includes a carbamylation (inhibition) step, in which the drug transfers its carbamate moiety to the active site of the enzyme and a decarbamylation (activity recovery) step, in which the carbamyl group is hydrolyzed from the enzyme. The carbamylation and decarbamylation kinetics decide the extent and the duration of the inhibition, thus the full characterization of candidate carbamate inhibitors requires the measurement of the kinetic constants describing both steps. Carbamylation and decarbamylation rate constants are traditionally measured by two separate set of experiments, thus making the full characterization of candidate inhibitors time-consuming. In this communication we show that by the analysis of the area under the inhibition-time curve of cholinesterases inhibited by carbamates it is possible to calculate the decarbamylation rate constant from the same data traditionally used to characterize only the carbamylation kinetics, therefore it is possible to obtain a full characterization of the inhibition with a single set of experiments. The characterization of the inhibition kinetics of human and dog plasma butyrylcholinesterase and of human acetylcholinesterase by bambuterol and bambuterol monocarbamate enantiomers was used to demonstrate the validity of the approach. The results showed that the proposed method provides reliable estimations of carbamylation and decarbamylation rate constants thus representing a simple and useful approach to reduce the time required for the characterization of carbamate inhibitors. Copyright © 2017 Elsevier B.V. All rights reserved.
Defect kinetics in spinels: Long-time simulations of MgAl2O4, MgGa2O4, and MgIn2O4
International Nuclear Information System (INIS)
Uberuaga, B. P.; Voter, A. F.; Sickafus, K. E.; Bacorisen, D.; Smith, Roger; Ball, J. A.; Grimes, R. W.
2007-01-01
Building upon work in which we examined defect production and stability in spinels, we now turn to defect kinetics. Using temperature accelerated dynamics (TAD), we characterize the kinetics of defects in three spinel oxides: magnesium aluminate MgAl 2 O 4 , magnesium gallate MgGa 2 O 4 , and magnesium indate MgIn 2 O 4 . These materials have varying tendencies to disorder on the cation sublattices. In order to understand chemical composition effects, we first examine defect kinetics in perfectly ordered, or normal, spinels, focusing on point defects on each sublattice. We then examine the role that cation disorder has on defect mobility. Using TAD, we find that disorder creates local environments which strongly trap point defects, effectively reducing their mobility. We explore the consequences of this trapping via kinetic Monte Carlo (KMC) simulations on the oxygen vacancy (V O ) in MgGa 2 O 4 , finding that V O mobility is directly related to the degree of inversion in the system
Implementation of the kinetics in the transport code AZTRAN
International Nuclear Information System (INIS)
Duran G, J. A.; Del Valle G, E.; Gomez T, A. M.
2017-09-01
This paper shows the implementation of the time dependence in the three-dimensional transport code AZTRAN (AZtlan TRANsport), which belongs to the AZTLAN platform, for the analysis of nuclear reactors (currently under development). The AZTRAN code with this implementation is able to numerically solve the time-dependent transport equation in XYZ geometry, for several energy groups, using the discrete ordinate method S n for the discretization of the angular variable, the nodal method RTN-0 for spatial discretization and method 0 for discretization in time. Initially, the code only solved the neutrons transport equation in steady state, so the implementation of the temporal part was made integrating the neutrons transport equation with respect to time and balance equations corresponding to the concentrations of delayed neutron precursors, for which method 0 was applied. After having directly implemented code kinetics, the improved quasi-static method was implemented, which is a tool for reducing computation time, where the angular flow is factored by the product of two functions called shape function and amplitude function, where the first is calculated for long time steps, called macro-steps and the second is resolved for small time steps called micro-steps. In the new version of AZTRAN several Benchmark problems that were taken from the literature were simulated, the problems used are of two and three dimensions which allowed corroborating the accuracy and stability of the code, showing in general in the reference tests a good behavior. (Author)
Directory of Open Access Journals (Sweden)
Jennifer Papuchon
Full Text Available In patients responding successfully to ART, the next therapeutic step is viral cure. An interesting strategy is antiviral vaccination, particularly involving CD8 T cell epitopes. However, attempts at vaccination are dependent on the immunogenetic background of individuals. The Provir/Latitude 45 project aims to investigate which CTL epitopes in proviral HIV-1 will be recognized by the immune system when HLA alleles are taken into consideration. A prior study (Papuchon et al, PLoS ONE 2013 showed that chronically-infected patients under successful ART exhibited variations of proviral CTL epitopes compared to a reference viral strain (HXB2 and that a generic vaccine may not be efficient. Here, we investigated viral and/or proviral CTL epitopes at different time points in recently infected individuals of the Canadian primary HIV infection cohort and assessed the affinity of these epitopes for HLA alleles during the study period. An analysis of the results confirms that it is not possible to fully predict which epitopes will be recognized by the HLA alleles of the patients if the reference sequences and epitopes are taken as the basis of simulation. Epitopes may be seen to vary in circulating RNA and proviral DNA. Despite this confirmation, the overall variability of the epitopes was low in these patients who are temporally close to primary infection.
Papuchon, Jennifer; Pinson, Patricia; Guidicelli, Gwenda-Line; Bellecave, Pantxika; Thomas, Réjean; LeBlanc, Roger; Reigadas, Sandrine; Taupin, Jean-Luc; Baril, Jean Guy; Routy, Jean Pierre; Wainberg, Mark; Fleury, Hervé
2014-01-01
In patients responding successfully to ART, the next therapeutic step is viral cure. An interesting strategy is antiviral vaccination, particularly involving CD8 T cell epitopes. However, attempts at vaccination are dependent on the immunogenetic background of individuals. The Provir/Latitude 45 project aims to investigate which CTL epitopes in proviral HIV-1 will be recognized by the immune system when HLA alleles are taken into consideration. A prior study (Papuchon et al, PLoS ONE 2013) showed that chronically-infected patients under successful ART exhibited variations of proviral CTL epitopes compared to a reference viral strain (HXB2) and that a generic vaccine may not be efficient. Here, we investigated viral and/or proviral CTL epitopes at different time points in recently infected individuals of the Canadian primary HIV infection cohort and assessed the affinity of these epitopes for HLA alleles during the study period. An analysis of the results confirms that it is not possible to fully predict which epitopes will be recognized by the HLA alleles of the patients if the reference sequences and epitopes are taken as the basis of simulation. Epitopes may be seen to vary in circulating RNA and proviral DNA. Despite this confirmation, the overall variability of the epitopes was low in these patients who are temporally close to primary infection.
Biomechanical influences on balance recovery by stepping.
Hsiao, E T; Robinovitch, S N
1999-10-01
Stepping represents a common means for balance recovery after a perturbation to upright posture. Yet little is known regarding the biomechanical factors which determine whether a step succeeds in preventing a fall. In the present study, we developed a simple pendulum-spring model of balance recovery by stepping, and used this to assess how step length and step contact time influence the effort (leg contact force) and feasibility of balance recovery by stepping. We then compared model predictions of step characteristics which minimize leg contact force to experimentally observed values over a range of perturbation strengths. At all perturbation levels, experimentally observed step execution times were higher than optimal, and step lengths were smaller than optimal. However, the predicted increase in leg contact force associated with these deviations was substantial only for large perturbations. Furthermore, increases in the strength of the perturbation caused subjects to take larger, quicker steps, which reduced their predicted leg contact force. We interpret these data to reflect young subjects' desire to minimize recovery effort, subject to neuromuscular constraints on step execution time and step length. Finally, our model predicts that successful balance recovery by stepping is governed by a coupling between step length, step execution time, and leg strength, so that the feasibility of balance recovery decreases unless declines in one capacity are offset by enhancements in the others. This suggests that one's risk for falls may be affected more by small but diffuse neuromuscular impairments than by larger impairment in a single motor capacity.
Internship guide : Work placements step by step
Haag, Esther
2013-01-01
Internship Guide: Work Placements Step by Step has been written from the practical perspective of a placement coordinator. This book addresses the following questions : what problems do students encounter when they start thinking about the jobs their degree programme prepares them for? How do you
The way to collisions, step by step
2009-01-01
While the LHC sectors cool down and reach the cryogenic operating temperature, spirits are warming up as we all eagerly await the first collisions. No reason to hurry, though. Making particles collide involves the complex manoeuvring of thousands of delicate components. The experts will make it happen using a step-by-step approach.
Furfaro, Lucy L; Chang, Barbara J; Payne, Matthew S
2017-09-01
Streptococcus agalactiae is the leading cause of early-onset neonatal sepsis. Culture-based screening methods lack the sensitivity of molecular assays and do not indicate serotype; a potentially important virulence marker. We aimed to develop a multiplex PCR to detect S. agalactiae while simultaneously identifying serotypes Ia, Ib, and III; commonly associated with infant disease. Primers were designed to target S. agalactiae serotype-specific cps genes and the dltS gene. The assay was validated with 512 vaginal specimens from pregnant women. 112 (21.9%) were dltS positive, with 14.3%, 0.9%, and 6.3% of these identified as cps Ia, Ib, and III, respectively. Our assay is a specific and sensitive method to simultaneously detect S. agalactiae and serotypes Ia, Ib, and III in a single step. It is of high significance for clinical diagnostic applications and also provides epidemiological data on serotype, information that may be important for vaccine development and other targeted non-antibiotic therapies. Copyright © 2017 Elsevier Inc. All rights reserved.
Maafi, Mounir; Maafi, Wassila
2016-12-01
New semi-empirical rate-law system of equations is proposed for the first time for consecutive photoreactions that involve up to 4 photoreaction steps, AB 4 (4Φ). The equation system was developed, tested, and validated against synthetic kinetic traces generated by fifth-order Runge-Kutta calculations. The model accurately fitted the kinetic traces of Riboflavin photodegradation in ethanol which decomposes via the AB 2 (2Φ) mechanism involving 2 consecutive photoreaction steps. A kinetic elucidation methodology useful for consecutive photoreactions was also proposed to determine all the kinetic parameters and reaction attributes defining AB 2 (2Φ) reactions. The quantum yields of photodegradation, determined for wavelengths in the visible region 400-480 nm, ranged from 0.005 to 0.00756 and 0.0012 to 8 10 -5 for the first and second photoreaction steps, respectively. They were found to increase with wavelength in defined sigmoid functions. For this monochromatic irradiation range, riboflavin proved to be a useful actinometer. Finally, a photodegradation scale based on pseudo-rate-constant values was also proposed for drugs. This scale (including 4 groups) is thought to contribute to rationalizing photodegradation testing and might prove useful in categorizing drugs' photodegradation reactivity. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.
Kinetic parameters from thermogravimetric analysis
Kiefer, Richard L.
1993-01-01
High performance polymeric materials are finding increased use in aerospace applications. Proposed high speed aircraft will require materials to withstand high temperatures in an oxidative atmosphere for long periods of time. It is essential that accurate estimates be made of the performance of these materials at the given conditions of temperature and time. Temperatures of 350 F (177 C) and times of 60,000 to 100,000 hours are anticipated. In order to survey a large number of high performance polymeric materials on a reasonable time scale, some form of accelerated testing must be performed. A knowledge of the rate of a process can be used to predict the lifetime of that process. Thermogravimetric analysis (TGA) has frequently been used to determine kinetic information for degradation reactions in polymeric materials. Flynn and Wall studied a number of methods for using TGA experiments to determine kinetic information in polymer reactions. Kinetic parameters, such as the apparent activation energy and the frequency factor, can be determined in such experiments. Recently, researchers at the McDonnell Douglas Research Laboratory suggested that a graph of the logarithm of the frequency factor against the apparent activation energy can be used to predict long-term thermo-oxidative stability for polymeric materials. Such a graph has been called a kinetic map. In this study, thermogravimetric analyses were performed in air to study the thermo-oxidative degradation of several high performance polymers and to plot their kinetic parameters on a kinetic map.
International Nuclear Information System (INIS)
Sumura, Masahiro; Shigeno, Kazushi; Hyuga, Taiju; Yoneda, Tatsuaki; Shiina, Hiroaki; Igawa, Mikio
2007-01-01
The objective of this study was to determine whether real-time elastography can be used to detect prostate cancer as a relatively non-invasive modality based on the tissue strain value. Seventeen patients underwent real-time elastography in conjunction with digital rectal examination (DRE), conventional gray-scale transrectal ultrasonography (TRUS), color Doppler ultrasonography (CDUS), and magnetic resonance imaging (MRI) prior to radical prostatectomy. The elastogram was compared to findings of conventional modalities and pathological findings of prostatectomy specimens. To obtain the elastogram, compression of the prostate was performed along with a visual indicator on a video screen. Twenty of 27 pathologically confirmed tumors were detected with real-time elastography. The cancer detection rate with real-time elastography was superior to the rates of other modalities and nearly equal to both on the anterior side (75.0%) and the posterior side (73.7%) of the prostate. A higher tumor detection rate for real-time elastography was observed for tumors with a higher Gleason score and larger tumor volume. In our preliminary study, real-time elastography in conjunction with gray-scale TRUS is a non-invasive modality to detect prostate cancer. (author)
Kinetic and thermodynamic modelling of TBP synthesis processes
International Nuclear Information System (INIS)
Azzouz, A.; Attou, M.
1989-02-01
The present paper deals with kinetic and thermodynamic modellisation of tributylphosphate (TBP) synthesis processes. Its aim consists in a purely comparative study of two different synthesis ways i.e. direct and indirect estirification of butanol. The methodology involves two steps. The first step consists in approximating curves which describe the process evolution and their dependence on the main parameters. The results gave a kinetic model of the process rate yielding in TBP. Further, on the basis of thermodynamic data concerning the various involved compounds a theoretical model was achieved. The calculations were carried out in Basic language and an interpolation mathematical method was applied to approximate the kinetic curves. The thermodynamic calculations were achieved on the basis of GIBBS' free energy using a VAX type computer and a VT240 terminal. The calculations accuracy was reasonable and within the norms. For each process, the confrontation of both models leads to an appreciable accord. In the two processes, the thermodynamic models were similar although the kinetic equations present different reaction orders. Hence the reaction orders were determined by a mathematical method which conists in searching the minimal difference between an empiric relation and a kinetic model with fixed order. This corresponds in fact in testing the model proposed at various reaction order around the suspected value. The main idea which results from such a work is that this kind of processes is well fitting with the model without taking into account the side chain reactions. The process behaviour is like that of a single reaction having a quasi linear dependence of the rate yielding and the reaction time for both processes
Simulation of ITG instabilities with fully kinetic ions and drift-kinetic electrons in tokamaks
Hu, Youjun; Chen, Yang; Parker, Scott
2017-10-01
A turbulence simulation model with fully kinetic ions and drift-kinetic electrons is being developed in the toroidal electromagnetic turbulence code GEM. This is motivated by the observation that gyrokinetic ions are not well justified in simulating turbulence in tokamak edges with steep density profile, where ρi / L is not small enough to be used a small parameter needed by the gyrokinetic ordering (here ρi is the gyro-radius of ions and L is the scale length of density profile). In this case, the fully kinetic ion model may be useful. Our model uses an implicit scheme to suppress high-frequency compressional Alfven waves and waves associated with the gyro-motion of ions. The ion orbits are advanced by using the well-known Boris scheme, which reproduces correct drift-motion even with large time-step comparable to the ion gyro-period. The field equation in this model is Ampere's law with the magnetic field eliminated by using an implicit scheme of Faraday's law. The current contributed by ions are computed by using an implicit δf method. A flux tube approximation is adopted, which makes the field equation much easier to solve. Numerical results of electromagnetic ITG obtained from this model will be presented and compared with the gyrokinetic results. This work is supported by U.S. Department of Energy, Office of Fusion Energy Sciences under Award No. DE-SC0008801.
RNA folding kinetics using Monte Carlo and Gillespie algorithms.
Clote, Peter; Bayegan, Amir H
2018-04-01
RNA secondary structure folding kinetics is known to be important for the biological function of certain processes, such as the hok/sok system in E. coli. Although linear algebra provides an exact computational solution of secondary structure folding kinetics with respect to the Turner energy model for tiny ([Formula: see text]20 nt) RNA sequences, the folding kinetics for larger sequences can only be approximated by binning structures into macrostates in a coarse-grained model, or by repeatedly simulating secondary structure folding with either the Monte Carlo algorithm or the Gillespie algorithm. Here we investigate the relation between the Monte Carlo algorithm and the Gillespie algorithm. We prove that asymptotically, the expected time for a K-step trajectory of the Monte Carlo algorithm is equal to [Formula: see text] times that of the Gillespie algorithm, where [Formula: see text] denotes the Boltzmann expected network degree. If the network is regular (i.e. every node has the same degree), then the mean first passage time (MFPT) computed by the Monte Carlo algorithm is equal to MFPT computed by the Gillespie algorithm multiplied by [Formula: see text]; however, this is not true for non-regular networks. In particular, RNA secondary structure folding kinetics, as computed by the Monte Carlo algorithm, is not equal to the folding kinetics, as computed by the Gillespie algorithm, although the mean first passage times are roughly correlated. Simulation software for RNA secondary structure folding according to the Monte Carlo and Gillespie algorithms is publicly available, as is our software to compute the expected degree of the network of secondary structures of a given RNA sequence-see http://bioinformatics.bc.edu/clote/RNAexpNumNbors .
Energy Technology Data Exchange (ETDEWEB)
Dannoux, A
2007-02-15
The prediction of the environmental impact of organic materials in nuclear waste geological storage needs knowledge of radiolytic degradation mechanisms and kinetics in aerobic and anaerobic conditions. In this framework, the effect of high doses (> MGy) and the variation of dose rate have to be considered. The material studied is a polyurethane composed of polyether soft segment and aromatic hard segments. Mechanisms were built on the analysis of material submitted to irradiations of simulation (high energy electrons and gamma radiation) by FTIR spectroscopy and gaseous and liquid degradation products by gas mass spectrometry and size exclusion chromatography. The electron paramagnetic resonance study of radical process and the determination of oxygen consumption and gas formation radiolytic yields allowed us to acquire kinetic data and to estimate dose rate and high doses effects. The polyurethane radio-oxidation mainly concerns soft segments and induced cross-linkings and production by scissions of oxidised compounds (esters, alcohols, carboxylic acids). The kinetic of radical termination is rapid and the dose rate effect is limited. After 10 MGy, branching and scission reactions are in equilibrium and low molecular weight products accumulate. At last, the degradation products release in water is influenced by the oxidation rate and the temperature. After 10 MGy, the soluble fraction is stabilised at 25%. The water soluble products identified by electro-spray ionisation mass spectrometry (alcohols, aldehydes, carboxylic acids) potentially formed complexes with radionuclides. (author)
DEFF Research Database (Denmark)
Hereu, A.; Dalgaard, Paw; Garriga, M.
2012-01-01
High pressure (HP) inactivation curves of Listeria monocytogenes CTC1034 (ca. 107CFU/g) on sliced RTE cooked meat products (ham and mortadella) were obtained at pressures from 300 to 800MPa. A clear tail shape was observed at pressures above 450MPa and the log-linear with tail primary model...... provided the best fit to the HP-inactivation kinetics. The relationships between the primary kinetic parameters (log kmax and log Nres) and pressure treatments were described by a polynomial secondary model. To estimate HP-inactivation of L. monocytogenes in log (N/N0) over time, a one-step global fitting...
International Nuclear Information System (INIS)
Gill, Gary A.; Das, Sadananda; Mayes, Richard; Saito, Tomonori; Brown, Suree S.; Tsouris, Constantinos; Tsouris, Costas; Wai, Chien M.; Pan, Horng-Bin
2016-01-01
The Pacific Northwest National Laboratory (PNNL) has been conducting marine testing of uranium adsorbent materials for the Fuel Resources Program, Department of Energy, Office of Nuclear Energy (DOE-NE) beginning in FY 2012. The marine testing program is being conducted at PNNL's Marine Sciences Laboratory (MSL), located at Sequim Bay, along the coast of Washington. One of the main efforts of the marine testing program is the determination of adsorption capacity and adsorption kinetics for uranium and selected other elements (e.g. vanadium, iron, copper, nickel, and zinc) for adsorbent materials provided primarily by Oak Ridge National Laboratory (ORNL), but also includes other Fuel Resources Program participants. This report summarizes the major marine testing results that have been obtained to date using time series sampling for 42 to 56 days using either flow-through column or recirculating flume exposures. The major results are highlighted in this report, and the full data sets are appended as a series of Excel spreadsheet files. Over the four year period (2012-2016) that marine testing of amidoxime-based polymeric adsorbents was conducted at PNNL's Marine Science Laboratory, there has been a steady progression of improvement in the 56-day adsorbent capacity from 3.30 g U/kg adsorbent for the ORNL 38H adsorbent to the current best performing adsorbent prepared by a collaboration between the University of Tennessee and ORNL to produce the adsorbent SB12-8, which has an adsorption capacity of 6.56 g U/kg adsorbent. This nearly doubling of the adsorption capacity in four years is a significant advancement in amidoxime-based adsorbent technology and a significant achievement for the Uranium from Seawater program. The achievements are evident when compared to the several decades of work conducted by the Japanese scientists beginning in the 1980's (Kim et al., 2013). The best adsorbent capacity reported by the Japanese scientists was 3.2 g U/kg adsorbent for a 180
Energy Technology Data Exchange (ETDEWEB)
Gill, Gary A. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Kuo, Li-Jung [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Strivens, Jonathan E. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Wood, Jordana R. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Schlafer, Nicholas J. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Janke, Christopher J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Das, Sadananda [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Mayes, Richard [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Saito, Tomonori [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Brown, Suree S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Tsouris, Constantinos [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Tsouris, Costas [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wai, Chien M. [Univ. of Idaho, Moscow, ID (United States); LCW Supercritical Technologies, Seattle, WA (United States); Pan, Horng-Bin [Univ. of Idaho, Moscow, ID (United States)
2016-09-29
The Pacific Northwest National Laboratory (PNNL) has been conducting marine testing of uranium adsorbent materials for the Fuel Resources Program, Department of Energy, Office of Nuclear Energy (DOE-NE) beginning in FY 2012. The marine testing program is being conducted at PNNL’s Marine Sciences Laboratory (MSL), located at Sequim Bay, along the coast of Washington. One of the main efforts of the marine testing program is the determination of adsorption capacity and adsorption kinetics for uranium and selected other elements (e.g. vanadium, iron, copper, nickel, and zinc) for adsorbent materials provided primarily by Oak Ridge National Laboratory (ORNL), but also includes other Fuel Resources Program participants. This report summarizes the major marine testing results that have been obtained to date using time series sampling for 42 to 56 days using either flow-through column or recirculating flume exposures. The major results are highlighted in this report, and the full data sets are appended as a series of Excel spreadsheet files. Over the four year period (2012-2016) that marine testing of amidoxime-based polymeric adsorbents was conducted at PNNL’s Marine Science Laboratory, there has been a steady progression of improvement in the 56-day adsorbent capacity from 3.30 g U/kg adsorbent for the ORNL 38H adsorbent to the current best performing adsorbent prepared by a collaboration between the University of Tennessee and ORNL to produce the adsorbent SB12-8, which has an adsorption capacity of 6.56 g U/kg adsorbent. This nearly doubling of the adsorption capacity in four years is a significant advancement in amidoxime-based adsorbent technology and a significant achievement for the Uranium from Seawater program. The achievements are evident when compared to the several decades of work conducted by the Japanese scientists beginning in the 1980’s (Kim et al., 2013). The best adsorbent capacity reported by the Japanese scientists was 3.2 g U/kg adsorbent for a
Tower, R J; Campbell, G M; Müller, M; Glüer, C C; Tiwari, S
2015-05-01
The turnover of bone is a tightly regulated process between bone formation and resorption to ensure skeletal homeostasis. This process differs between bone types, with trabecular bone often associated with higher turnover than cortical bone. Analyses of bone by micro-computed tomography (micro-CT) reveal changes in structure and mineral content, but are limited in the study of metabolic activity at a single time point, while analyses of serum markers can reveal changes in bone metabolism, but cannot delineate the origin of any aberrant findings. To obtain a site-specific assessment of bone metabolic status, bisphosphonate binding kinetics were utilized. Using a fluorescently-labeled bisphosphonate, we show that early binding kinetics monitored in vivo using fluorescent molecular tomography (FMT) can monitor changes in bone metabolism in response to bone loss, stimulated by ovariectomy (OVX), or bone gain, resulting from treatment with the anabolic bone agent parathyroid hormone (PTH), and is capable of distinguishing different, metabolically distinct skeletal sites. Using time-lapse micro-CT, longitudinal bone turnover was quantified. The spine showed a significantly greater percent resorbing volume and surface in response to OVX, while mice treated with PTH showed significantly greater resorbing volume per bone surface in the spine and significantly greater forming surfaces in the knee. Correlation studies between binding kinetics and micro-CT suggest that forming surfaces, as assessed by time-lapse micro-CT, are preferentially reflected in the rate constant values while forming and resorbing bone volumes primarily affect plateau values. Additionally, we developed a blood pool correction method which now allows for quantitative multi-compartment analyses to be conducted using FMT. These results further expand our understanding of bisphosphonate binding and the use of bisphosphonate binding kinetics as a tool to monitor site-specific changes in bone metabolism in
Methane production from cellulosic wastes: kinetic studies
Energy Technology Data Exchange (ETDEWEB)
Goma, G; De La Torre, I; Maugheri, F; Yameogo, T
1979-09-01
The anaerobic fermentation is studied on lignocellulosic materials and sucrose as substrate. With the lignocellulosic material cellulolysis is rate limiting. The reducing sugar concentration in the fermentation broth is less than 15 mgl/sup -1/. With rumen bacteria, 50% of the initial polyoside are used and 12% of the lignin is solubilized. With sucrose studies on the kinetic behaviour of the mixed population responsible of the acidogenesis step permite to find the optimal temperature (40/sup 0/C) feed substrate concentration (50 gl/sup -1/) residence time (60 hours) and pH (5,5 - 6). The better technology is a plug flow fermentor with cell recycling. Modeling of the behaviour of this reactor was performed. The use of this reactor for the selection of acido resistant bacteria is discussed. For methanogenesis, in continuous culture, the ideal technology seems to be an association of two reactors. In the first step, a plug flow reactor must be used for acidogenesis, and in the second step a well mixed reactor permit the conversion of organic acids in methane.
for simulating kinetic profiles of multi-step chemical systems
African Journals Online (AJOL)
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waves and Belousov-Zhabotinsky type reactions have complex reaction mechanisms ... A pre-processor code for a sequence of chemical reactions is .... mechanism only as the text file using any editor that support text format, (iv) the reactant.
2010-04-01
... that constitute a “significant” factor in inducing employment and retention of U.S. nurses. (iii) Work schedule options. The facility provides nurses with non-mandatory work schedule options for part-time work, job-sharing, compressed work week or non-rotating shifts (provided, however, that H-1C nurses are...
Matarma, Tanja; Tammelin, Tuija; Kulmala, Janne; Koski, Pasi; Hurme, Saija; Lagström, Hanna
2017-01-01
Background: The factors associated with preschool-aged children's physical activity (PA) remains unclear. The aim of this cross-sectional study was to examine how different factors were associated with preschool-aged children's objectively measured PA and sedentary time. Methods: The study population was 5-6-year-old children (n = 140) and their…
Regan, Fran H; Hockenhull, Jo; Pritchard, Joy C; Waterman-Pearson, Avril E; Whay, Helen R
2014-01-01
The donkey has a reputation for stoicism and its behavioural repertoire in clinical contexts is under-reported. Lack of understanding of the norms of donkey behaviour and how it may vary over time can compromise use of behavioural measures as indicators of pain or emotional state. The objective of this study was to find out whether the behaviour of working donkeys was influenced by gender, the time of day or differed between days with a view to assessing how robust these measures are for inclusion in a working donkey ethogram. Frequency and consistency of postural and event behaviours were measured in 21 adult working donkeys (12 females; 9 males). Instantaneous (scan) and focal sampling were used to measure maintenance, lying, ingestive and investigative behaviours at hourly intervals for ten sessions on each of two consecutive days. High head carriage and biting were seen more frequently in male donkeys than females (Pdonkeys (Pdonkeys expressed an extensive behavioural repertoire, although some differences in behaviour were evident between genders. While mos