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Sample records for time steps kinetic

  1. Kinetic Analysis of Parallel-Consecutive First-Order Reactions with a Reversible Step: Concentration-Time Integrals Method

    Science.gov (United States)

    Mucientes, A. E.; de la Pena, M. A.

    2009-01-01

    The concentration-time integrals method has been used to solve kinetic equations of parallel-consecutive first-order reactions with a reversible step. This method involves the determination of the area under the curve for the concentration of a given species against time. Computer techniques are used to integrate experimental curves and the method…

  2. Stepping Stones through Time

    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.

  3. On the mechanism of sodium- and potassium-activated adenosine triphosphatase. Time course of intermediary steps examined by computer simulation of transient kinetics.

    Science.gov (United States)

    Mårdh, S; Lindahl, S

    1977-11-25

    In order to learn whether the kinetics of transient phosphorylation of sodium plus potassium ion transport adenosine triphosphatase was compatible with the hydrolysis of ATP, computer simulation of experimental data was studied. The enzyme mechanism was described in terms of first order and pseudo-first order reactions. The resulting system of linear first order differential equations was solved by a Runge-Kutta method. Phosphorylation kinetics was studied by means of a rapid mixing apparatus at 21 degrees in the presence of 100 micron ATP, 3 mM MgCl2, 120 mM NaCl, and 10 mM KCl. Computer simulation gave a close fit to experimental data with a model of the reaction mechanism which included a sequence of two dephospho forms and two phospho forms of the enzyme. With this model, rate constants obtained by computer simulation were in agreement with constants which had been determined in separate phosphorylation and dephosphorylation experiments. Within experimental limits, the net flux of reaction in each partial step was compatible with the (Na+,K+)-stimulated hydrolysis of ATP (about 324 and 300 nmol-mg-1-min-1, respectively).

  4. 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 ...

  5. Grief: Difficult Times, Simple Steps.

    Science.gov (United States)

    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…

  6. for simulating kinetic profiles of multi-step chemical systems

    African Journals Online (AJOL)

    Preferred Customer

    time and as a consequence it is necessary to use the medium of calculus to write and solve these equations [4]. Detailed chemical kinetic models incorporate elementary ... mix of experimentation, literature search for existing information and the application of theory. When studying a chemical reaction experimentally, some ...

  7. 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.

  8. Symplectic integrators with adaptive time steps

    Science.gov (United States)

    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.

  9. Time-step coupling for hybrid simulations of multiscale flows

    Science.gov (United States)

    Lockerby, Duncan A.; Duque-Daza, Carlos A.; Borg, Matthew K.; Reese, Jason M.

    2013-03-01

    A new method is presented for the exploitation of time-scale separation in hybrid continuum-molecular models of multiscale flows. Our method is a generalisation of existing approaches, and is evaluated in terms of computational efficiency and physical/numerical error. Comparison with existing schemes demonstrates comparable, or much improved, physical accuracy, at comparable, or far greater, efficiency (in terms of the number of time-step operations required to cover the same physical time). A leapfrog coupling is proposed between the 'macro' and 'micro' components of the hybrid model and demonstrates potential for improved numerical accuracy over a standard simultaneous approach. A general algorithm for a coupled time step is presented. Three test cases are considered where the degree of time-scale separation naturally varies during the course of the simulation. First, the step response of a second-order system composed of two linearly-coupled ODEs. Second, a micro-jet actuator combining a kinetic treatment in a small flow region where rarefaction is important with a simple ODE enforcing mass conservation in a much larger spatial region. Finally, the transient start-up flow of a journal bearing with a cylindrical rarefied gas layer. Our new time-stepping method consistently demonstrates as good as or better performance than existing schemes. This superior overall performance is due to an adaptability inherent in the method, which allows the most-desirable aspects of existing schemes to be applied only in the appropriate conditions.

  10. Considerations for the independent reaction times and step-by-step methods for radiation chemistry simulations

    Science.gov (United States)

    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.

  11. for simulating kinetic profiles of multi-step chemical systems

    African Journals Online (AJOL)

    Preferred Customer

    ABSTRACT. 'Simkine3', a Delphi based software is developed to simulate the kinetic schemes of complex ... the software is demonstrated by simulating the complex reaction between methylene violet and acidic bromate, a reaction ...... Press, W.H.; Flannery, B.P.; Teukolsky, S.A.; Vetterling, W.T. Numerical Recipes: The Art.

  12. Is ammonification the rate limiting step for nitrification kinetics?

    Science.gov (United States)

    Katipoglu-Yazan, Tugce; Ubay Cokgor, Emine; Insel, Güçlü; Orhon, Derin

    2012-06-01

    This study investigated relative magnitude of hydrolysis and ammonification by separate analysis of ammonia release and nitrification mechanisms. A peptone mixture was used as substrate in two parallel experiments seeded with nitrifying biomass conducted with and without nitrification inhibitor. Results were evaluated by means of model analysis of the ammonia and the oxygen uptake rate (OUR) profiles. A dual hydrolysis mechanism with maximum rate coefficients of 6.3 and 0.5/day characterized the peptone mixture and a kinetic balance was established for the ammonia release mechanism with a corresponding ammonification rate of 0.08 m(3)/g COD day. The experiments also showed a low soluble ammonia nitrogen generation that was rapidly depleted, confirming the existence of ammonification. These rate coefficients were verified using model calibration of the OUR profile related to simultaneous carbon removal and nitrification. Results indicated that ammonification would not be rate limiting for wastewaters such as domestic sewage, with lower hydrolysis kinetics. Copyright © 2012 Elsevier Ltd. All rights reserved.

  13. 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

  14. 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

  15. Effects of step length, age, and fall history on hip and knee kinetics and knee co-contraction during the maximum step length test.

    Science.gov (United States)

    Schulz, Brian W; Jongprasithporn, Manutchanok; Hart-Hughes, Stephanie J; Bulat, Tatjana

    2013-10-01

    Maximum step length is a brief clinical test involving stepping out and back as far as possible with the arms folded across the chest. This test has been shown to predict fall risk, but the biomechanics of this test are not fully understood. Knee and hip kinetics (moments and powers) are greater for longer steps and for younger subjects, but younger subjects also step farther. To separate the effects of step length, age, and fall history on joint kinetics; healthy younger (age=27(5), N=14), older non-fallers (age=72(5), N=14), and older fallers (age=75(6), N=11) all stepped to the same relative target distances of 20-80% of their height. Knee and hip kinetics and knee co-contraction were calculated. Hip and knee kinetics and knee co-contraction all increased with step length, but older non-fallers and fallers utilized greater stepping hip and less stepping knee extensor kinetics. Fallers had greater stepping knee co-contraction than non-fallers. Stance knee co-contraction of non-fallers was similar to young for shorter steps and similar to fallers for longer steps. Age had minimal effects and fall history had no effects on joint kinetics of steps to similar distances. Effects of age and fall history on knee co-contraction may contribute to age-related kinetic differences and shorter maximal step lengths of older non-fallers and fallers, but step length correlated with every variable tested. Thus, declines in maximum step length could indicate declines in hip and knee extensor kinetics and impaired performance on similar tasks like recovering from a trip. © 2013.

  16. Transient kinetics and rate limiting steps for the processive cellobiohydrolase Cel7A

    DEFF Research Database (Denmark)

    Cruys-Bagger, Nicolaj; Hirosuke, Tatsumi; Robin Ren, Guilin

    2013-01-01

    Cellobiohydrolases are exo-acting, processive enzymes, which effectively hydrolyze crystalline cellulose. They have attracted considerable interest due to their role in both in natural carbon cycling and industrial enzyme cocktails used for the deconstruction of cellulosic biomass, but many...... mechanistic and regulatory aspects of their heterogeneous catalysis remain poorly understood. Here we address this by applying a deterministic model to real-time kinetic data with high temporal resolution. We used two variants of the cellobiohydrolase Cel7A from H. jecorina, and three types of cellulose...... as substrate. Analysis of the pre-steady state regime allowed delineation rate constants for both fast and slow steps in the enzymatic cycle and assessment of how these constants influenced the rate of hydrolysis at quasi-steady state. Processive movement on the cellulose strand advanced with characteristic...

  17. Kinetic Mechanism and Rate-Limiting Steps of Focal Adhesion Kinase-1

    Energy Technology Data Exchange (ETDEWEB)

    Schneck, Jessica L.; Briand, Jacques; Chen, Stephanie; Lehr, Ruth; McDevitt, Patrick; Zhao, Baoguang; Smallwood, Angela; Concha, Nestor; Oza, Khyati; Kirkpatrick, Robert; Yan, Kang; Villa, James P.; Meek, Thomas D.; Thrall, Sara H. (Chemizon); (GSKPA)

    2010-12-07

    Steady-state kinetic analysis of focal adhesion kinase-1 (FAK1) was performed using radiometric measurement of phosphorylation of a synthetic peptide substrate (Ac-RRRRRRSETDDYAEIID-NH{sub 2}, FAK-tide) which corresponds to the sequence of an autophosphorylation site in FAK1. Initial velocity studies were consistent with a sequential kinetic mechanism, for which apparent kinetic values k{sub cat} (0.052 {+-} 0.001 s{sup -1}), K{sub MgATP} (1.2 {+-} 0.1 {micro}M), K{sub iMgATP} (1.3 {+-} 0.2 {micro}M), K{sub FAK-tide} (5.6 {+-} 0.4 {micro}M), and K{sub iFAK-tide} (6.1 {+-} 1.1 {micro}M) were obtained. Product and dead-end inhibition data indicated that enzymatic phosphorylation of FAK-tide by FAK1 was best described by a random bi bi kinetic mechanism, for which both E-MgADP-FAK-tide and E-MgATP-P-FAK-tide dead-end complexes form. FAK1 catalyzed the {beta}{gamma}-bridge:{beta}-nonbridge positional oxygen exchange of [{gamma}-{sup 18}O{sub 4}]ATP in the presence of 1 mM [{gamma}-{sup 18}O{sub 4}]ATP and 1.5 mM FAK-tide with a progressive time course which was commensurate with catalysis, resulting in a rate of exchange to catalysis of k{sub x}/k{sub cat} = 0.14 {+-} 0.01. These results indicate that phosphoryl transfer is reversible and that a slow kinetic step follows formation of the E-MgADP-P-FAK-tide complex. Further kinetic studies performed in the presence of the microscopic viscosogen sucrose revealed that solvent viscosity had no effect on k{sub cat}/K{sub FAK-tide}, while k{sub cat} and k{sub cat}/K{sub MgATP} were both decreased linearly at increasing solvent viscosity. Crystallographic characterization of inactive versus AMP-PNP-liganded structures of FAK1 showed that a large conformational motion of the activation loop upon ATP binding may be an essential step during catalysis and would explain the viscosity effect observed on k{sub cat}/K{sub m} for MgATP but not on k{sub cat}/K{sub m} for FAK-tide. From the positional isotope exchange, viscosity, and

  18. High-resolution seismic wave propagation using local time stepping

    KAUST Repository

    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.

  19. 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....

  20. One step sintering of homogenized bauxite raw material and kinetic study

    Science.gov (United States)

    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.

  1. 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

  2. An explicit multi-time-stepping algorithm for aerodynamic flows

    NARCIS (Netherlands)

    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

  3. Exponential Time Differencing With Runge- Kutta Time Stepping for ...

    African Journals Online (AJOL)

    Nafiisah

    stepping (ETDRK) for convectively dominated financial problems. For European ... We consider a financial market with a single asset with price S which follows the ...... The Mathematics of. Financial Derivatives. Cambridge University Press. New York. ZVAN, R., FORSYTH, P. A. & VETZAL, K. R. (1998). Robust numerical.

  4. Kinetic analysis on the two-step processes of AOB and NOB in aerobic nitrifying granules.

    Science.gov (United States)

    Fang, Fang; Ni, Bing-Jie; Li, Xiao-Yan; Sheng, Guo-Ping; Yu, Han-Qing

    2009-07-01

    Complete granulation of nitrifying sludge was achieved in a sequencing batch reactor. For the granular sludge, batch experiments were conducted to characterize the kinetic features of ammonia oxidizers (AOB) and nitrite oxidizers (NOB) in the granules using the respirometric method. A two-step nitrification model was established to determine the kinetic parameters of both AOB and NOB. In addition to nitrification reactions, the new model also took into account biomass maintenance and mass transfer through the granules. The yield coefficient, maximum specific growth rate, and affinity constant for ammonium for AOB were 0.21 g chemical oxygen demand (COD) g(-1) N, 0.09 h(-1), and 9.1 mg N L(-1), respectively, whereas the corresponding values for NOB were 0.05 g COD g(-1) N, 0.11 h(-1), and 4.85 mg N L(-1), respectively. The model developed in this study performed well in simulating the oxygen uptake rate and nitrogen conversion kinetics and in predicting the oxygen consumption of the AOB and NOB in aerobic granules.

  5. Hydrothermal decomposition of industrial jarosite in alkaline media: The rate determining step of the process kinetics

    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.

  6. Newmark local time stepping on high-performance computing architectures

    KAUST Repository

    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.

  7. Multi-time-step domain coupling method with energy control

    DEFF Research Database (Denmark)

    Mahjoubi, N.; Krenk, Steen

    2010-01-01

    A multi-time-step integration method is proposed for solving structural dynamics problems on multiple domains. The method generalizes earlier state-space integration algorithms by introducing displacement constraints via Lagrange multipliers, representing the time-integrated constraint forces over...

  8. Devolatilization kinetics of woody biomass at short residence times and high heating rates and peak temperatures

    DEFF Research Database (Denmark)

    Johansen, Joakim M.; Gadsbøll, Rasmus; Thomsen, Jesper

    2016-01-01

    were conducted on a laboratory laminar entrained flow reactor (LFR) using solid fuel feed rates on the order of 10-20mgh-1. Employing a simple single step first order (SFOR) mechanism with an Arrhenius type rate expression, the best fit of the pyrolysis kinetics was found to be: A=18.9×103s-1, Ea=21305......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...

  9. Kinetic dissection of individual steps in the poly(C)-directed oligoguanylate synthesis from guanosine 5'-monophosphate 2-methylimidazolide

    Science.gov (United States)

    Kanavarioti, A.; Bernasconi, C. F.; Alberas, D. J.; Baird, E. E.

    1993-01-01

    A kinetic study of oligoguanylate synthesis on a polycytidylate template, poly(C), as a function of the concentration of the activated monomer, guanosine 5'-monophosphate 2-methylimidazolide, 2-MeImpG, is reported. Reactions were run with 0.005-0.045 M 2-MeImpG in the presence of 0.05 M poly(C) at 23 degrees C. The kinetic results are consistent with a reaction scheme (eq 1) that consists of a series of consecutive steps, each step representing the addition of one molecule of 2-MeImpG to the growing oligomer. This scheme allows the calculation of second-order rate constants for every step by analyzing the time-dependent growth of each oligomer. Computer simulations of the course of reaction based on the determined rate constants and eq 1 are in excellent agreement with the product distributions seen in the HPLC profiles. In accord with an earlier study (Fakhrai, H.; Inoue, T.; Orgel, L. E. Tetrahedron 1984, 40, 39), rate constants, ki, for the formation of the tetramer and longer oligomers up to the 16-mer were found to be independent of length and somewhat higher than k3 (formation of trimer), which in turn is much higher than k2 (formation of dimer). The ki (i > or = 4), k3, and k2 values are not true second-order rate constants but vary with monomer concentration. Mechanistic models for the dimerization (Scheme I) and elongation reactions (Scheme II) are proposed that are consistent with our results. These models take into account that the monomer associates with the template in a cooperative manner. Our kinetic analysis allowed the determination of rate constants for the elementary processes of covalent bond formation between two monomers (dimerization) and between an oligomer and a monomer (elongation) on the template. A major conclusion from our study is that bond formation between two monomer units or between a primer and a monomer is assisted by the presence of additional next-neighbor monomer units. This is consistent with recent findings with hairpin

  10. A new methodology to determine kinetic parameters for one- and two-step chemical models

    Science.gov (United States)

    Mantel, T.; Egolfopoulos, F. N.; Bowman, C. T.

    1996-01-01

    In this paper, a new methodology to determine kinetic parameters for simple chemical models and simple transport properties classically used in DNS of premixed combustion is presented. First, a one-dimensional code is utilized to performed steady unstrained laminar methane-air flame in order to verify intrinsic features of laminar flames such as burning velocity and temperature and concentration profiles. Second, the flame response to steady and unsteady strain in the opposed jet configuration is numerically investigated. It appears that for a well determined set of parameters, one- and two-step mechanisms reproduce the extinction limit of a laminar flame submitted to a steady strain. Computations with the GRI-mech mechanism (177 reactions, 39 species) and multicomponent transport properties are used to validate these simplified models. A sensitivity analysis of the preferential diffusion of heat and reactants when the Lewis number is close to unity indicates that the response of the flame to an oscillating strain is very sensitive to this number. As an application of this methodology, the interaction between a two-dimensional vortex pair and a premixed laminar flame is performed by Direct Numerical Simulation (DNS) using the one- and two-step mechanisms. Comparison with the experimental results of Samaniego et al. (1994) shows a significant improvement in the description of the interaction when the two-step model is used.

  11. Kinetic Mechanism and the Rate-limiting Step of Plasmodium vivax Serine Hydroxymethyltransferase*

    Science.gov (United States)

    Maenpuen, Somchart; Amornwatcharapong, Watcharee; Krasatong, Pasupat; Sucharitakul, Jeerus; Palfey, Bruce A.; Yuthavong, Yongyuth; Chitnumsub, Penchit; Leartsakulpanich, Ubolsree; Chaiyen, Pimchai

    2015-01-01

    Serine hydroxymethyltransferase (SHMT) is a pyridoxal 5′-phosphate (PLP)-dependent enzyme that catalyzes a hydroxymethyl group transfer from l-serine to tetrahydrofolate (H4folate) to yield glycine and 5,10-methylenetetrahydrofolate (CH2-H4folate). SHMT is crucial for deoxythymidylate biosynthesis and a target for antimalarial drug development. Our previous studies indicate that PvSHMT catalyzes the reaction via a ternary complex mechanism. To define the kinetic mechanism of this catalysis, we explored the PvSHMT reaction by employing various methodologies including ligand binding, transient, and steady-state kinetics as well as product analysis by rapid-quench and HPLC/MS techniques. The results indicate that PvSHMT can bind first to either l-serine or H4folate. The dissociation constants for the enzyme·l-serine and enzyme·H4folate complexes were determined as 0.18 ± 0.08 and 0.35 ± 0.06 mm, respectively. The amounts of glycine formed after single turnovers of different preformed binary complexes were similar, indicating that the reaction proceeds via a random-order binding mechanism. In addition, the rate constant of glycine formation measured by rapid-quench and HPLC/MS analysis is similar to the kcat value (1.09 ± 0.05 s−1) obtained from the steady-state kinetics, indicating that glycine formation is the rate-limiting step of SHMT catalysis. This information will serve as a basis for future investigation on species-specific inhibition of SHMT for antimalarial drug development. PMID:25678710

  12. Pyrolysis kinetic evaluation by single-step for waste wood from reforestation.

    Science.gov (United States)

    da Silva, Jean Constantino Gomes; Alves, José Luiz Francisco; Galdino, Wendell Venicio de Araujo; Andersen, Silvia Layara Floriani; de Sena, Rennio Felix

    2018-02-01

    The objective of this study was to evaluate the kinetic parameters of pyrolysis of waste wood from reforestation: Eucalyptus benthamii (EB), Eucalyptus dunnii (ED) and Pinus elliottii (PN). The kinetic study was performed using the Friedman, Flynn-Wall-Ozawa (FWO), Kissinger-Akahira-Sunose (KAS), Starink, and Vyazovkin methods from the experimental data at four heating rates (5, 10, 20 and 30 °C min -1 ). The Friedman method presented higher activation energy values (E a ) when compared to the other methods (E a EB  = 142.98 kJ mol -1 , E a ED  = 147.71 kJ mol -1 , E a PN  = 155.46 kJ mol -1 ). The KAS, Starink and Vyazovkin methods resulted in approximate values of activation energy (E a EB  = 132.83-133.31 kJ mol -1 , E a ED  = 137.51-137.98 kJ mol -1 , E a PN  = 145.24-145.70 kJ mol -1 ) due to the approximation equations with lowest relative errors. The simulation of curves using the kinetic parameters obtained with the Vyazovkin method showed that the decomposition process of EB and ED occurs as a multi-step process resulting in an unsatisfactory result for the simulation. On the other hand, for PN a satisfactory fit to the experimental data was obtained, which demonstrates its suitability for application to the modeling of thermochemical systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. 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

    and equilibrium constants for the kinetic mechanism. PRPP bound to two sites per dimer with a KD of 33 µM. Binding of OMP and orotate also occurred to a single class of two sites per dimer, with KD values of 3 and 280 µM, respectively. Pyrophosphate binding to two sites was weak with a KD of 960 µ......, a burst (nrev = 0.7/dimer; k = 300 s-1) was also noted. These results allowed us to develop a complete kinetic mechanism for OPRTase, in which a rapid phosphoribosyl transfer reaction at equilibrium is followed by a slow step involving release of product. When the microviscosity, ¿rel, of the reaction......M, and in the presence of bound orotate, its affinity for the first site was enhanced 4-fold (KD = 230 µM). Preformed E·OMP, E·PRPP, E·PPi, and E·orotate complexes were trapped as products in isotope partitioning experiments, indicating that each was catalytically competent and confirming a random mechanism. Rapid...

  14. 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...

  15. 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.)

  16. Microsecond time-scale kinetics of transient biochemical reactions

    NARCIS (Netherlands)

    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

  17. Nonlinear stability and time step selection for the MPM method

    Science.gov (United States)

    Berzins, Martin

    2018-01-01

    The Material Point Method (MPM) has been developed from the Particle in Cell (PIC) method over the last 25 years and has proved its worth in solving many challenging problems involving large deformations. Nevertheless there are many open questions regarding the theoretical properties of MPM. For example in while Fourier methods, as applied to PIC may provide useful insight, the non-linear nature of MPM makes it necessary to use a full non-linear stability analysis to determine a stable time step for MPM. In order to begin to address this the stability analysis of Spigler and Vianello is adapted to MPM and used to derive a stable time step bound for a model problem. This bound is contrasted against traditional Speed of sound and CFL bounds and shown to be a realistic stability bound for a model problem.

  18. Showering habits: time, steps, and products used after brain injury.

    Science.gov (United States)

    Reistetter, Timothy A; Chang, Pei-Fen J; Abreu, Beatriz C

    2009-01-01

    This pilot study describes the showering habits of people with brain injury (BI) compared with those of people without BI (WBI). The showering habits of 10 people with BI and 10 people WBI were measured and compared. A videotaped session recorded and documented the shower routine. The BI group spent longer time showering, used more steps, and used fewer products than the WBI group. A moderately significant relationship was found between time and age (r = .46, p = .041). Similarly, we found significant correlations between number of steps and number of products used (r = .64, p = .002) and between the number of products used and education (r = .47, p = .044). Results suggest that people with BI have showering habits that differ from those WBI. Correlations, regardless of group, showed that older people showered longer, and people with more education used more showering products.

  19. 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)

  20. Adaptive time-stepping Monte Carlo integration of Coulomb collisions

    Science.gov (United States)

    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.

  1. Peak Muscle Activation, Joint Kinematics, and Kinetics during Elliptical and Stepping Movement Pattern on a Precor Adaptive Motion Trainer

    Science.gov (United States)

    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…

  2. Kinetics of elementary steps in the reactions of atomic bromine with isoprene and 1,3-butadiene under atmospheric conditions.

    Science.gov (United States)

    Laine, Patrick L; Sohn, Yoon S; Nicovich, J Michael; McKee, Michael L; Wine, Paul H

    2012-06-21

    Laser flash photolysis of CF(2)Br(2) has been coupled with time-resolved detection of atomic bromine by resonance fluorescence spectroscopy to investigate the gas-phase kinetics of early elementary steps in the Br-initiated oxidations of isoprene (2-methyl-1,3-butadiene, Iso) and 1,3-butadiene (Bu) under atmospheric conditions. At T ≥ 526 K, measured rate coefficients for Br + isoprene are independent of pressure, suggesting that hydrogen transfer (1a) is the dominant reaction pathway. The following Arrhenius expression adequately describes all kinetic data at 526 K ≤ T ≤ 673 K: k(1a)(T) = (1.22 ± 0.57) × 10(-11) exp[(-2100 ± 280)/T] cm(3) molecule(-1) s(-1) (uncertainties are 2σ and represent precision of the Arrhenius parameters). At 271 K ≤ T ≤ 357 K, kinetic evidence for the reversible addition reactions Br + Iso ↔ Br-Iso (k(1b), k(-1b)) and Br + Bu ↔ Br-Bu (k(3b), k(-3b)) is observed. Analysis of the approach to equilibrium data allows the temperature- and pressure-dependent rate coefficients k(1b), k(-1b), k(3b), and k(-3b) to be evaluated. At atmospheric pressure, addition of Br to each conjugated diene occurs with a near-gas-kinetic rate coefficient. Equilibrium constants for the addition/dissociation reactions are obtained from k(1b)/k(-1b) and k(3b)/k(-3b), respectively. Combining the experimental equilibrium data with electronic structure calculations allows both second- and third-law analyses of thermochemistry to be carried out. The following thermochemical parameters for the addition reactions 1b and 3b at 0 and 298 K are obtained (units are kJ mol(-1) for Δ(r)H and J mol(-1) K(-1) for Δ(r)S; uncertainties are accuracy estimates at the 95% confidence level): Δ(r)H(0)(1b) = -66.6 ± 7.1, Δ(r)H(298)(1b) = -67.5 ± 6.6, and Δ(r)S(298)(3b) = -93 ± 16; Δ(r)H(0)(3b) = -62.4 ± 9.0, Δ(r)H(298)(3b) = -64.5 ± 8.5, and Δ(r)S(298)(3b) = -94 ± 20. Examination of the effect of added O(2) on Br kinetics under conditions where reversible

  3. Summary of Simplified Two Time Step Method for Calculating Combustion Rates and Nitrogen Oxide Emissions for Hydrogen/Air and Hydrogen/Oxygen

    Science.gov (United States)

    Marek, C. John; Molnar, Melissa

    2005-01-01

    A simplified single rate expression for hydrogen combustion and nitrogen oxide production was developed. Detailed kinetics are predicted for the chemical kinetic times using the complete chemical mechanism over the entire operating space. These times are then correlated to the reactor conditions using an exponential fit. Simple first order reaction expressions are then used to find the conversion in the reactor. The method uses a two time step kinetic scheme. The first time averaged step is used at the initial times with smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, temperature, and pressure. The second instantaneous step is used at higher water concentrations (greater than l x 10(exp -20)) moles per cc) in the mixture which gives the chemical kinetic time as a function of the instantaneous fuel and water mole concentrations, pressure and temperature (T(sub 4)). The simple correlations are then compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. This time is regressed over the complete initial conditions using the Excel regression routine. Chemical kinetic time equations for H2 and NOx are obtained for H2/Air fuel and for H2/O2. A similar correlation is also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium temperature (T(sub 4)) as a function of overall fuel/air ratio, pressure and initial temperature (T(sub 3)). High values of the regression coefficient R squared are obtained.

  4. Simplified Two-Time Step Method for Calculating Combustion Rates and Nitrogen Oxide Emissions for Hydrogen/Air and Hydorgen/Oxygen

    Science.gov (United States)

    Molnar, Melissa; Marek, C. John

    2005-01-01

    A simplified single rate expression for hydrogen combustion and nitrogen oxide production was developed. Detailed kinetics are predicted for the chemical kinetic times using the complete chemical mechanism over the entire operating space. These times are then correlated to the reactor conditions using an exponential fit. Simple first order reaction expressions are then used to find the conversion in the reactor. The method uses a two-time step kinetic scheme. The first time averaged step is used at the initial times with smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, temperature, and pressure. The second instantaneous step is used at higher water concentrations (> 1 x 10(exp -20) moles/cc) in the mixture which gives the chemical kinetic time as a function of the instantaneous fuel and water mole concentrations, pressure and temperature (T4). The simple correlations are then compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. This time is regressed over the complete initial conditions using the Excel regression routine. Chemical kinetic time equations for H2 and NOx are obtained for H2/air fuel and for the H2/O2. A similar correlation is also developed using data from NASA s Chemical Equilibrium Applications (CEA) code to determine the equilibrium temperature (T4) as a function of overall fuel/air ratio, pressure and initial temperature (T3). High values of the regression coefficient R2 are obtained.

  5. Chemical kinetics of consecutive and parallel reactions both with a reversible first step

    International Nuclear Information System (INIS)

    Park, Tae Jun; Park, Bong Ser

    2015-01-01

    We solve the rate equations analytically for the first-order consecutive reaction and the corresponding parallel reaction both with a reversible first step. Results of the consecutive reaction, especially, can be used to determine explicitly the product concentration of the unimolecular decomposition and of the enzyme reaction which has hitherto been calculated by approximation. In addition, we indicate how we specify a certain reaction to be consecutive or parallel by comparing experimental data with theory. We also show that rate constants for the reactions are found from the various time derivatives of concentrations

  6. The importance of time-stepping errors in ocean models

    Science.gov (United States)

    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.

  7. 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

  8. Nodal approximations in space and time for neutron kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Grossman, L.M. [Department of Nuclear Engineering, University of California, Berkeley, CA 94720 (United States); Hennart, J.P. [Department of Mathematical and Numerical Methods, Institute for Research in Applied Mathematics and Systems, National Autonomous University of Mexico, A.P. 20-726, 01000 Mexico D.F. (Mexico)

    2005-07-01

    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 {theta} schemes.

  9. Simplified Two-Time Step Method for Calculating Combustion and Emission Rates of Jet-A and Methane Fuel With and Without Water Injection

    Science.gov (United States)

    Molnar, Melissa; Marek, C. John

    2005-01-01

    A simplified kinetic scheme for Jet-A, and methane fuels with water injection was developed to be used in numerical combustion codes, such as the National Combustor Code (NCC) or even simple FORTRAN codes. The two time step method is either an initial time averaged value (step one) or an instantaneous value (step two). The switch is based on the water concentration in moles/cc of 1x10(exp -20). The results presented here results in a correlation that gives the chemical kinetic time as two separate functions. This two time step method is used as opposed to a one step time averaged method previously developed to determine the chemical kinetic time with increased accuracy. The first time averaged step is used at the initial times for smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, initial water to fuel mass ratio, temperature, and pressure. The second instantaneous step, to be used with higher water concentrations, gives the chemical kinetic time as a function of instantaneous fuel and water mole concentration, pressure and temperature (T4). The simple correlations would then be compared to the turbulent mixing times to determine the limiting rates of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. Chemical kinetic time equations for fuel, carbon monoxide and NOx are obtained for Jet-A fuel and methane with and without water injection to water mass loadings of 2/1 water to fuel. A similar correlation was also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium concentrations of carbon monoxide and nitrogen oxide as functions of overall equivalence ratio, water to fuel mass ratio, pressure and temperature (T3). The temperature of the gas entering

  10. New Reduced Two-Time Step Method for Calculating Combustion and Emission Rates of Jet-A and Methane Fuel With and Without Water Injection

    Science.gov (United States)

    Molnar, Melissa; Marek, C. John

    2004-01-01

    A simplified kinetic scheme for Jet-A, and methane fuels with water injection was developed to be used in numerical combustion codes, such as the National Combustor Code (NCC) or even simple FORTRAN codes that are being developed at Glenn. The two time step method is either an initial time averaged value (step one) or an instantaneous value (step two). The switch is based on the water concentration in moles/cc of 1x10(exp -20). The results presented here results in a correlation that gives the chemical kinetic time as two separate functions. This two step method is used as opposed to a one step time averaged method previously developed to determine the chemical kinetic time with increased accuracy. The first time averaged step is used at the initial times for smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, initial water to fuel mass ratio, temperature, and pressure. The second instantaneous step, to be used with higher water concentrations, gives the chemical kinetic time as a function of instantaneous fuel and water mole concentration, pressure and temperature (T4). The simple correlations would then be compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates were then used to calculate the necessary chemical kinetic times. Chemical kinetic time equations for fuel, carbon monoxide and NOx were obtained for Jet-A fuel and methane with and without water injection to water mass loadings of 2/1 water to fuel. A similar correlation was also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium concentrations of carbon monoxide and nitrogen oxide as functions of overall equivalence ratio, water to fuel mass ratio, pressure and temperature (T3

  11. Real-Time Label-Free Direct Electronic Monitoring of Topoisomerase Enzyme Binding Kinetics on Graphene.

    Science.gov (United States)

    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.

  12. Kinetics of protein–ligand unbinding: Predicting pathways, rates, and rate-limiting steps

    Science.gov (United States)

    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

  13. 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

    approach to elucidate multi-step reactions is transient (or pre steady-state) kinetics. A key requirement for pre steady-state measurements is good time resolution, and while this has been amply achieved in different commercial instruments, they are generally not applicable to precipitating suspensions...... catalyzed hydrolysis of 2,4-dinitrophenyl acetate (DNPA), and the applicability to heterogeneous reactions was documented by two cellulases (Cel7A and Cel7B) acting on suspensions of microcrystalline cellulose (Avicel) at different loads up to 15 g/l. The results showed distinctive differences between...

  14. 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

  15. 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)

  16. 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)

  17. On the theory of time dilation in chemical kinetics

    Science.gov (United States)

    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.

  18. 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.

  19. Result Variation and Efficiency Kinetics in Real-Time PCR

    Directory of Open Access Journals (Sweden)

    Reza Shahsiah

    2010-09-01

    Full Text Available "nFluorescent 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.

  20. Spatially and time resolved kinetics of indirect magnetoexcitons

    Science.gov (United States)

    Hasling, Matthew; Dorow, Chelsey; Calman, Erica; Butov, Leonid; Wilkes, Joe; Campman, Kenneth; Gossard, Arthur

    The small exciton mass and binding energy give the opportunity to realize the high magnetic field regime for excitons in magnetic fields of few Tesla achievable in lab Long lifetimes of indirect exciton give the opportunity to study kinetics of magnetoexciton transport by time-resolved optical imaging of exciton emission. We present spatially and time resolved measurements showing the effect of increased magnetic field on transport of magnetoexcitons. We observe that increased magnetic field leads to slowing down of magnetoexciton transport. Supported by NSF Grant No. 1407277. J.W. was supported by the EPSRC (Grant EP/L022990/1). C.J.D. was supported by the NSF Graduate Research Fellowship Program under Grant No. DGE-1144086.

  1. 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.

  2. 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...

  3. Viral DNA Packaging: One Step at a Time

    Science.gov (United States)

    Bustamante, Carlos; Moffitt, Jeffrey R.

    During its life-cycle the bacteriophage φ29 actively packages its dsDNA genome into a proteinacious capsid, compressing its genome to near crystalline densities against large electrostatic, elastic, and entropic forces. This remarkable process is accomplished by a nano-scale, molecular DNA pump - a complex assembly of three protein and nucleic acid rings which utilizes the free energy released in ATP hydrolysis to perform the mechanical work necessary to overcome these large energetic barriers. We have developed a single molecule optical tweezers assay which has allowed us to probe the detailed mechanism of this packaging motor. By following the rate of packaging of a single bacteriophage as the capsid is filled with genome and as a function of optically applied load, we find that the compression of the genome results in the build-up of an internal force, on the order of ˜ 55 pN, due to the compressed genome. The ability to work against such large forces makes the packaging motor one of the strongest known molecular motors. By titrating the concentration of ATP, ADP, and inorganic phosphate at different opposing load, we are able to determine features of the mechanochemistry of this motor - the coupling between the mechanical and chemical cycles. We find that force is generated not upon binding of ATP, but rather upon release of hydrolysis products. Finally, by improving the resolution of the optical tweezers assay, we are able to observe the discrete increments of DNA encapsidated each cycle of the packaging motor. We find that DNA is packaged in 10-bp increments preceded by the binding of multiple ATPs. The application of large external forces slows the packaging rate of the motor, revealing that the 10-bp steps are actually composed of four 2.5-bp steps which occur in rapid succession. These data show that the individual subunits of the pentameric ring-ATPase at the core of the packaging motor are highly coordinated, with the binding of ATP and the

  4. Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice

    Energy Technology Data Exchange (ETDEWEB)

    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.

  5. Efficient use of single molecule time traces to resolve kinetic rates, models and uncertainties

    Science.gov (United States)

    Schmid, Sonja; Hugel, Thorsten

    2018-03-01

    Single molecule time traces reveal the time evolution of unsynchronized kinetic systems. Especially single molecule Förster resonance energy transfer (smFRET) provides access to enzymatically important time scales, combined with molecular distance resolution and minimal interference with the sample. Yet the kinetic analysis of smFRET time traces is complicated by experimental shortcomings—such as photo-bleaching and noise. Here we recapitulate the fundamental limits of single molecule fluorescence that render the classic, dwell-time based kinetic analysis unsuitable. In contrast, our Single Molecule Analysis of Complex Kinetic Sequences (SMACKS) considers every data point and combines the information of many short traces in one global kinetic rate model. We demonstrate the potential of SMACKS by resolving the small kinetic effects caused by different ionic strengths in the chaperone protein Hsp90. These results show an unexpected interrelation between conformational dynamics and ATPase activity in Hsp90.

  6. A semi-Lagrangian method for DNS with large time-stepping

    Science.gov (United States)

    Xiu, Dongbin; Karniadakis, George

    2000-11-01

    An efficient time-step discretization based on semi-Lagrangian methods, often used in metereology, is proposed for direct numerical simulations. It is unconditionally stable and retains high-order accuracy comparable to Eulerian schemes. The structure of the total error is analyzed in detail, and shows a non-monotonic trend with the size of the time-step. Numerical experiments for a variety of flows shows that stable and accurate results are obtained with time steps more than fifty times the CFL-bound time step used in current semi-implicit DNS.

  7. Applicability of two-step models in estimating nitrification kinetics from batch respirograms under different relative dynamics of ammonia and nitrite oxidation.

    Science.gov (United States)

    Chandran, K; Smets, B F

    2000-10-05

    A mechanistically based nitrification model was formulated to facilitate determination of both NH(4)(+)-N to NO(2)(-)-N and NO(2)(-)-N to NO(3)(-)-N oxidation kinetics from a single NH(4)(+)-N to NO(3)(-)-N batch-oxidation profile by explicitly considering the kinetics of each oxidation step. The developed model incorporated a novel convention for expressing the concentrations of nitrogen species in terms of their nitrogenous oxygen demand (NOD). Stoichiometric coefficients relating nitrogen removal, oxygen uptake, and biomass synthesis were derived from an electron-balanced equation.%A parameter identifiability analysis of the developed two-step model revealed a decrease in correlation and an increase in the precision of the kinetic parameter estimates when NO(2)(-)-N oxidation kinetics became increasingly rate-limiting. These findings demonstrate that two-step models describe nitrification kinetics adequately only when NH(4)(+)-N to NO(3)(-)-N oxidation profiles contain sufficient information pertaining to both nitrification steps. Thus, the rate-determining step in overall nitrification must be identified before applying conventionally used models to describe batch nitrification respirograms.

  8. Real-time hydrogen/deuterium exchange kinetics via supercharged electrospray ionization tandem mass spectrometry.

    Science.gov (United States)

    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.

  9. Choice stepping response and transfer times: effects of age, fall risk, and secondary tasks.

    Science.gov (United States)

    St George, Rebecca J; Fitzpatrick, Richard C; Rogers, Mark W; Lord, Stephen R

    2007-05-01

    Deterioration with age of physiological components of balance control increases fall risk. Avoiding a fall can also require higher level cognitive processing to select correct motor and stepping responses. Here we investigate how a competing cognitive task and an obstacle to stepping affect the initiation and execution phases of choice stepping reaction times in young and older people. Three groups were studied: young persons (YOUNG: 23-40 years, n = 20), older persons with a low risk of falls (OLR: 75-86 years, n = 18), and older persons with a high risk of falls (OHR: 78-88 years, n = 22). Four conditions were examined: choice stepping, choice stepping + obstacle, choice stepping + working memory task, and choice stepping + working memory task + obstacle. Step response and transfer times were measured for each condition, in addition to hesitant stepping, contacts with the obstacle and errors made in the memory test. Older participant groups had significantly longer response and transfer times than the young group had, and the OHR group had significantly longer response and transfer times than the OLR group had. There was a significant Group x Secondary task interaction for response time (F(2,215) = 12.6, p age and fall risk. Compared with young people, older people, and more so those at risk of falling, have an impaired ability to initiate and execute quick, accurate voluntary steps, particularly in situations where attention is divided.

  10. 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

  11. 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

  12. Growth of non-toxigenic Clostridium botulinum mutant LNT01 in cooked beef: One-step kinetic analysis and comparison with C. sporogenes and C. perfringens.

    Science.gov (United States)

    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.

  13. On an efficient multiple time step Monte Carlo simulation of the SABR model

    NARCIS (Netherlands)

    A. Leitao Rodriguez (Álvaro); L.A. Grzelak (Lech Aleksander); C.W. Oosterlee (Cornelis)

    2017-01-01

    textabstractIn 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.

  14. On an efficient multiple time step Monte Carlo simulation of the SABR model

    NARCIS (Netherlands)

    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.

  15. Metamorphic crystallization kinetics quantified through space and time

    Science.gov (United States)

    Kelly, E. D.; Carlson, W. D.; Ketcham, R. A.

    2012-12-01

    Numerical simulations of diffusion-controlled nucleation and growth of garnet porphyroblasts in regionally metamorphosed rocks constrain values for interfacial energy and rates of nucleation and Al intergranular diffusion, quantities that exert a strong control on the sizes and disposition of porphyroblasts in most metamorphic rocks. During simulation of a reaction, product crystals consume a rate-limiting component (Al) and gradients in Al concentration in the intergranular fluid develop between the product and reactant crystals. Low Al concentrations surrounding product crystals (low reaction affinity) reduce nucleation probability, creating a tendency toward spatial ordering of crystal centers in homogeneous portions of a rock. Also, as Al depletion zones impinge, crystals compete for Al, resulting in a tendency toward smaller sizes for neighboring crystals and larger sizes for those that grow in isolation. These phenomena produce distinctive textural effects that allow the simulations to be constrained by measurements of the sizes and locations of porphyroblasts in natural samples. The 13 rocks analyzed in this study were collected from 7 localities exhibiting a diverse range of crystallization conditions. In the simulations, unknown kinetic parameters governing nucleation and intergranular diffusion were adjusted iteratively to achieve fits between simulated and natural porphyroblastic textures. Model fits were assessed primarily from textural characteristics precisely measured by high-resolution X-ray computed tomography. The range of interfacial energies obtained for heterogeneous nucleation is 0.007-0.118 J/m2 for the sample suite, assuming shape factors in the range 0.1-1.0. Nucleation rates change through space and time due to growth and impingement of Al depletion zones. In some modeled rocks, the actual (whole-rock) rate rises steeply, achieves a steady state, and then falls rapidly as reactants are consumed; in others, the steady-state is not achieved

  16. A rapid one-step kinetics-based immunoassay procedure for the highly-sensitive detection of C-reactive protein

    OpenAIRE

    sprotocols

    2014-01-01

    Authors: Sandeep Kumar Vashist, Gregor Czilwik, Thomas van Oordt, Felix von Stetten, Roland Zengerle, E. Marion Schneider & John H.T. Luong ### Abstract A rapid one-step kinetics-based sandwich enzyme-linked immunosorbent (ELISA) procedure has been developed for highly-sensitive detection of C-reactive protein (CRP) in less than 30 min. With minimal process steps, the procedure is highly simplified and cost-effective. The analysis only involves sequentially the formation of a sandwic...

  17. Adaptive Time Stepping for Transient Network Flow Simulation in Rocket Propulsion Systems

    Science.gov (United States)

    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.

  18. GOTHIC: Gravitational oct-tree code accelerated by hierarchical time step controlling

    Science.gov (United States)

    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.

  19. Algorithmic developments of the kinetic activation-relaxation technique: Accessing long-time kinetics of larger and more complex systems

    Science.gov (United States)

    Trochet, Mickaël; Sauvé-Lacoursière, Alecsandre; Mousseau, Normand

    2017-10-01

    In spite of the considerable computer speed increase of the last decades, long-time atomic simulations remain a challenge and most molecular dynamical simulations are limited to 1 μ s at the very best in condensed matter and materials science. There is a need, therefore, for accelerated methods that can bridge the gap between the full dynamical description of molecular dynamics and experimentally relevant time scales. This is the goal of the kinetic Activation-Relaxation Technique (k-ART), an off-lattice kinetic Monte-Carlo method with on-the-fly catalog building capabilities based on the topological tool NAUTY and the open-ended search method Activation-Relaxation Technique (ART nouveau) that has been applied with success to the study of long-time kinetics of complex materials, including grain boundaries, alloys, and amorphous materials. We present a number of recent algorithmic additions, including the use of local force calculation, two-level parallelization, improved topological description, and biased sampling and show how they perform on two applications linked to defect diffusion and relaxation after ion bombardement in Si.

  20. Algorithmic developments of the kinetic activation-relaxation technique: Accessing long-time kinetics of larger and more complex systems.

    Science.gov (United States)

    Trochet, Mickaël; Sauvé-Lacoursière, Alecsandre; Mousseau, Normand

    2017-10-21

    In spite of the considerable computer speed increase of the last decades, long-time atomic simulations remain a challenge and most molecular dynamical simulations are limited to 1 μs at the very best in condensed matter and materials science. There is a need, therefore, for accelerated methods that can bridge the gap between the full dynamical description of molecular dynamics and experimentally relevant time scales. This is the goal of the kinetic Activation-Relaxation Technique (k-ART), an off-lattice kinetic Monte-Carlo method with on-the-fly catalog building capabilities based on the topological tool NAUTY and the open-ended search method Activation-Relaxation Technique (ART nouveau) that has been applied with success to the study of long-time kinetics of complex materials, including grain boundaries, alloys, and amorphous materials. We present a number of recent algorithmic additions, including the use of local force calculation, two-level parallelization, improved topological description, and biased sampling and show how they perform on two applications linked to defect diffusion and relaxation after ion bombardement in Si.

  1. An adaptive time step scheme for a system of stochastic differential equations with multiple multiplicative noise: chemical Langevin equation, a proof of concept.

    Science.gov (United States)

    Sotiropoulos, Vassilios; Kaznessis, Yiannis N

    2008-01-07

    Models involving stochastic differential equations (SDEs) play a prominent role in a wide range of applications where systems are not at the thermodynamic limit, for example, biological population dynamics. Therefore there is a need for numerical schemes that are capable of accurately and efficiently integrating systems of SDEs. In this work we introduce a variable size step algorithm and apply it to systems of stiff SDEs with multiple multiplicative noise. The algorithm is validated using a subclass of SDEs called chemical Langevin equations that appear in the description of dilute chemical kinetics models, with important applications mainly in biology. Three representative examples are used to test and report on the behavior of the proposed scheme. We demonstrate the advantages and disadvantages over fixed time step integration schemes of the proposed method, showing that the adaptive time step method is considerably more stable than fixed step methods with no excessive additional computational overhead.

  2. Epitope mapping from real time kinetic studies – Role of cross ...

    Indian Academy of Sciences (India)

    Unknown

    Epitope mapping from real time kinetic studies – Role of cross- linked disulphides and incidental interacting regions in affinity measurements: Study with human chorionic gonadotropin and monoclonal antibodies. NONAVINAKERE SEETHARAM SRILATHA, P TAMIL SELVI and GUNDLUPET SATYANARAYANA MURTHY*.

  3. Error Analysis of a Fractional Time-Stepping Technique for Incompressible Flows with Variable Density

    KAUST Repository

    Guermond, J.-L.

    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.

  4. A study of the molecular mechanism of binding kinetics and long residence times of human CCR5 receptor small molecule allosteric ligands.

    Science.gov (United States)

    Swinney, David C; Beavis, Paul; Chuang, Kai-Ting; Zheng, Yue; Lee, Ina; Gee, Peter; Deval, Jerome; Rotstein, David M; Dioszegi, Marianna; Ravendran, Palani; Zhang, Jun; Sankuratri, Surya; Kondru, Rama; Vauquelin, Georges

    2014-07-01

    The human CCR5 receptor is a co-receptor for HIV-1 infection and a target for anti-viral therapy. A greater understanding of the binding kinetics of small molecule allosteric ligand interactions with CCR5 will lead to a better understanding of the binding process and may help discover new molecules that avoid resistance. Using [(3) H] maraviroc as a radioligand, a number of different binding protocols were employed in conjunction with simulations to determine rate constants, kinetic mechanism and mutant kinetic fingerprints for wild-type and mutant human CCR5 with maraviroc, aplaviroc and vicriviroc. Kinetic characterization of maraviroc binding to the wild-type CCR5 was consistent with a two-step kinetic mechanism that involved an initial receptor-ligand complex (RA), which transitioned to a more stable complex, R'A, with at least a 13-fold increase in affinity. The dissociation rate from R'A, k-2 , was 1.2 × 10(-3) min(-1) . The maraviroc time-dependent transition was influenced by F85L, W86A, Y108A, I198A and Y251A mutations of CCR5. The interaction between maraviroc and CCR5 proceeded according to a multi-step kinetic mechanism, whereby initial mass action binding and later reorganizations of the initial maraviroc-receptor complex lead to a complex with longer residence time. Site-directed mutagenesis identified a kinetic fingerprint of residues that affected the binding kinetics, leading to the conclusion that allosteric ligand binding to CCR5 involved the rearrangement of the binding site in a manner specific to each allosteric ligand. © 2014 The British Pharmacological Society.

  5. A local time stepping algorithm for GPU-accelerated 2D shallow water models

    Science.gov (United States)

    Dazzi, Susanna; Vacondio, Renato; Dal Palù, Alessandro; Mignosa, Paolo

    2018-01-01

    In the simulation of flooding events, mesh refinement is often required to capture local bathymetric features and/or to detail areas of interest; however, if an explicit finite volume scheme is adopted, the presence of small cells in the domain can restrict the allowable time step due to the stability condition, thus reducing the computational efficiency. With the aim of overcoming this problem, the paper proposes the application of a Local Time Stepping (LTS) strategy to a GPU-accelerated 2D shallow water numerical model able to handle non-uniform structured meshes. The algorithm is specifically designed to exploit the computational capability of GPUs, minimizing the overheads associated with the LTS implementation. The results of theoretical and field-scale test cases show that the LTS model guarantees appreciable reductions in the execution time compared to the traditional Global Time Stepping strategy, without compromising the solution accuracy.

  6. Real-Time Step Length Control Method for a Biped Robot

    Science.gov (United States)

    Aiko, Takahiro; Ohnishi, Kouhei

    In this paper, the real-time step length control method for a biped robot is proposed. In human environment, it is necessary for a biped robot to change its gait on real-time since it is required to walk according to situations. By use of the proposed method, the center-of-gravity trajectory and swing leg trajectory were generated on real-time with that its command value is the step length. For generating the center-of-gravity trajectory, we develop Linear Inverted Pendulum Mode and additionally consider walking stability by ZMP. In order to demonstrate the proposed method, the simulation and experiment of a biped walk is performed.

  7. Easy to use program “Simkine3” for simulating kinetic profiles of multi-step chemical Systems and optimisation of predictable rate coefficients therein

    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

  8. 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.

  9. 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

  10. Modified Pressure-Correction Projection Methods: Open Boundary and Variable Time Stepping

    KAUST Repository

    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.

  11. Real-time monitoring of mass-transport-related enzymatic reaction kinetics in a nanochannel-array reactor.

    Science.gov (United States)

    Li, Su-Juan; Wang, Chen; Wu, Zeng-Qiang; Xu, Jing-Juan; Xia, Xing-Hua; Chen, Hong-Yuan

    2010-09-03

    To understand the fundamentals of enzymatic reactions confined in micro-/nanosystems, the construction of a small enzyme reactor coupled with an integrated real-time detection system for monitoring the kinetic information is a significant challenge. Nano-enzyme array reactors were fabricated by covalently linking enzymes to the inner channels of a porous anodic alumina (PAA) membrane. The mechanical stability of this nanodevice enables us to integrate an electrochemical detector for the real-time monitoring of the formation of the enzyme reaction product by sputtering a thin Pt film on one side of the PAA membrane. Because the enzymatic reaction is confined in a limited nanospace, the mass transport of the substrate would influence the reaction kinetics considerably. Therefore, the oxidation of glucose by dissolved oxygen catalyzed by immobilized glucose oxidase was used as a model to investigate the mass-transport-related enzymatic reaction kinetics in confined nanospaces. The activity and stability of the enzyme immobilized in the nanochannels was enhanced. In this nano-enzyme reactor, the enzymatic reaction was controlled by mass transport if the flux was low. With an increase in the flux (e.g., >50 microL min(-1)), the enzymatic reaction kinetics became the rate-determining step. This change resulted in the decrease in the conversion efficiency of the nano-enzyme reactor and the apparent Michaelis-Menten constant with an increase in substrate flux. This nanodevice integrated with an electrochemical detector could help to understand the fundamentals of enzymatic reactions confined in nanospaces and provide a platform for the design of highly efficient enzyme reactors. In addition, we believe that such nanodevices will find widespread applications in biosensing, drug screening, and biochemical synthesis.

  12. Large-time behavior of discrete kinetic equations with non-symmetric interactions

    OpenAIRE

    Arnold, Anton; Carrillo, Jose A.; Tidriri, Moulay D.

    2002-01-01

    We consieder the initial-boundary value problem for general linear discrete velocity models appearing in kinetic theory. With time independent inflow boundary data we prove the existence of a unique steady state and the exponential convergence in time towards the steady state. The proof is based on the construction of suitable multiplyers used in a weighted L^{2}-norm.

  13. Shear stress with appropriate time-step and amplification enhances endothelial cell retention on vascular grafts.

    Science.gov (United States)

    Liu, Haifeng; Gong, Xianghui; Jing, Xiaohui; Ding, Xili; Yao, Yuan; Huang, Yan; Fan, Yubo

    2017-11-01

    Endothelial cells (ECs) are sensitive to changes in shear stress. The application of shear stress to ECs has been well documented to improve cell retention when placed into a haemodynamically active environment. However, the relationship between the time-step and amplification of shear stress on EC functions remains elusive. In the present study, human umbilical cord veins endothelial cells (HUVECs) were seeded on silk fibroin nanofibrous scaffolds and were preconditioned by shear stress at different time-steps and amplifications. It is shown that gradually increasing shear stress with appropriate time-steps and amplification could improve EC retention, yielding a complete endothelial-like monolayer both in vitro and in vivo. The mechanism of this improvement is mediated, at least in part, by an upregulation of integrin β1 and focal adhesion kinase (FAK) expression, which contributed to fibronectin (FN) assembly enhancement in ECs in response to the shear stress. A modest gradual increase in shear stress was essential to allow additional time for ECs to gradually acclimatize to the changing environment, with the goal of withstanding the physiological levels of shear stress. This study recognized that the time-steps and amplifications of shear stress could regulate EC tolerance to shear stress and the anti-thrombogenicity function of engineered vascular grafts via an extracellular cell matrix-specific, mechanosensitive signalling pathway and might prevent thrombus formation in vivo. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  14. 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

  15. Optimal order and time-step criterion for Aarseth-type N-body integrators

    Science.gov (United States)

    Makino, Junichiro

    1991-03-01

    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.

  16. Optimal order and time-step criterion for Aarseth-type N-body integrators

    Energy Technology Data Exchange (ETDEWEB)

    Makino, Junichiro (Tokyo Univ. (Japan))

    1991-03-01

    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.

  17. Enforcing the Courant-Friedrichs-Lewy condition in explicitly conservative local time stepping schemes

    Science.gov (United States)

    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.

  18. Validation and comparison of shank and lumbar-worn IMUs for step time estimation.

    Science.gov (United States)

    Johnston, William; Patterson, Matthew; O'Mahony, Niamh; Caulfield, Brian

    2017-10-26

    Gait assessment is frequently used as an outcome measure to determine changes in an individual's mobility and disease processes. Inertial measurement units (IMUs) are quickly becoming commonplace in gait analysis. The purpose of this study was to determine and compare the validity of shank and lumbar IMU mounting locations in the estimation of temporal gait features. Thirty-seven adults performed 20 walking trials each over a gold standard force platform while wearing shank and lumbar-mounted IMUs. Data from the IMUs were used to estimate step times using previously published algorithms and were compared with those derived from the force platform. There was an excellent level of correlation between the force platform and shank (r=0.95) and lumbar-mounted (r=0.99) IMUs. Bland-Altman analysis demonstrated high levels of agreement between the IMU and the force platform step times. Confidence interval widths were 0.0782 s for the shank and 0.0367 s for the lumbar. Both IMU mounting locations provided accurate step time estimations, with the lumbar demonstrating a marginally superior level of agreement with the force platform. This validation indicates that the IMU system is capable of providing step time estimates within 2% of the gold standard force platform measurement.

  19. Hydrothermal Atomic Force Microscopy Investigation of Barite Growth: Role of Spectator Ions in Elementary Step Edge Growth Kinetics and Hillock Morphology [Supporting Information Only

    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 NaNO3) 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.

  20. Elderly fallers enhance dynamic stability through anticipatory postural adjustments during a choice stepping reaction time

    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.

  1. Elderly Fallers Enhance Dynamic Stability Through Anticipatory Postural Adjustments during a Choice Stepping Reaction Time

    Science.gov (United States)

    Tisserand, Romain; Robert, Thomas; Chabaud, Pascal; Bonnefoy, Marc; Chèze, Laurence

    2016-01-01

    In the case of disequilibrium, the capacity to step quickly is critical to avoid falling in 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, the 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. Forty-four community-dwelling elderly subjects (20 F and 24 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. PMID:27965561

  2. 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)

  3. 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)

  4. Measuring border delay and crossing times at the US-Mexico border : part II. Step-by-step guidelines for implementing a radio frequency identification (RFID) system to measure border crossing and wait times.

    Science.gov (United States)

    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...

  5. Efficient time-stepping-free time integration of the Maxwell equations

    NARCIS (Netherlands)

    Bochev, Mikhail A.; Brushlinskii, K.V.; Gavreeva, M.S.; Zhukov, V.T.; Severin, A.V.; Cmykhova, N.A.

    Solution of the time dependent Maxwell equations is an important problem arising in many applications ranging from nanophotonics to geoscience and astronomy. The problem is far from trivial, and solutions typically exhibit complicated wave properties as well as damping behavior. Usually, special

  6. 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

  7. A coupled weather generator - rainfall-runoff approach on hourly time steps for flood risk analysis

    Science.gov (United States)

    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

  8. Epitope mapping from real time kinetic studies–Role of cross-linked ...

    Indian Academy of Sciences (India)

    Real time kinetic studies were used to map conformational epitopes in human chorionic gonadotropin (hCG) for two monoclonal antibodies (MAbs). The epitopes were identified in the regions (5–14 and 55–62). The association rate constant (+1) was found to be altered by chemical modification of hCG, and the ionic ...

  9. Development of a real time activity monitoring Android application utilizing SmartStep.

    Science.gov (United States)

    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%.

  10. Analysis of Kinetic Intermediates in Single-Particle Dwell-Time Distributions

    NARCIS (Netherlands)

    Floyd, Daniel L.; Harrison, Stephen C.; Oijen, Antoine M. van

    2010-01-01

    Many biological and chemical processes proceed through one or more intermediate steps. Statistical analysis of dwell-time distributions from single molecule trajectories enables the study of intermediate steps that are not directly observable. Here, we discuss the application of the randomness

  11. Kinetic processivity of the two-step oxidations of progesterone and pregnenolone to androgens by human cytochrome P450 17A1.

    Science.gov (United States)

    Gonzalez, Eric; Guengerich, F Peter

    2017-08-11

    Cytochrome P450 (P450, CYP) 17A1 plays a critical role in steroid metabolism, catalyzing both the 17α-hydroxylation of pregnenolone and progesterone and the subsequent 17α,20-lyase reactions to form dehydroepiandrosterone (DHEA) and androstenedione (Andro), respectively, critical for generating glucocorticoids and androgens. Human P450 17A1 reaction rates examined are enhanced by the accessory protein cytochrome b 5 ( b 5 ), but the exact role of b 5 in P450 17A1-catalyzed reactions is unclear as are several details of these reactions. Here, we examined in detail the processivity of the 17α-hydroxylation and lyase steps. b 5 did not enhance reaction rates by decreasing the k off rates of any of the steroids. Steroid binding to P450 17A1 was more complex than a simple two-state system. Pre-steady-state experiments indicated lag phases for Andro production from progesterone and for DHEA from pregnenolone, indicating a distributive character of the enzyme. However, we observed processivity in pregnenolone/DHEA pulse-chase experiments. ( S )-Orteronel was three times more inhibitory toward the conversion of 17α-hydroxypregnenolone to DHEA than toward the 17α-hydroxylation of pregnenolone. IC 50 values for ( S )-orteronel were identical for blocking DHEA formation from pregnenolone and for 17α-hydroxylation, suggestive of processivity. Global kinetic modeling helped assign sets of rate constants for individual or groups of reactions, indicating that human P450 17A1 is an inherently distributive enzyme but that some processivity is present, i.e. some of the 17α-OH pregnenolone formed from pregnenolone did not dissociate from P450 17A1 before conversion to DHEA. Our results also suggest multiple conformations of P450 17A1, as previously proposed on the basis of NMR spectroscopy and X-ray crystallography. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  12. Kinetic validation of the models for P-glycoprotein ATP hydrolysis and vanadate-induced trapping. Proposal for additional steps.

    Directory of Open Access Journals (Sweden)

    Miguel Ramón Lugo

    Full Text Available P-Glycoprotein, a member of the ATP-binding cassette (ABC superfamily, is a multidrug transporter responsible for cellular efflux of hundreds of structurally unrelated compounds, including natural products, many clinically used drugs and anti-cancer agents. Expression of P-glycoprotein has been linked to multidrug resistance in human cancers. ABC transporters are driven by ATP hydrolysis at their two cytoplasmic nucleotide-binding domains, which interact to form a closed ATP-bound sandwich dimer. Intimate knowledge of the catalytic cycle of these proteins is clearly essential for understanding their mechanism of action. P-Glycoprotein has been proposed to hydrolyse ATP by an alternating mechanism, for which there is substantial experimental evidence, including inhibition of catalytic activity by trapping of ortho-vanadate at one nucleotide-binding domain, and the observation of an asymmetric occluded state. Despite many studies of P-glycoprotein ATPase activity over the past 20 years, no comprehensive kinetic analysis has yet been carried out, and some puzzling features of its behaviour remain unexplained. In this work, we have built several progressively more complex kinetic models, and then carried out simulations and detailed analysis, to test the validity of the proposed reaction pathway employed by P-glycoprotein for ATP hydrolysis. To establish kinetic parameters for the catalytic cycle, we made use of the large amount of published data on ATP hydrolysis by hamster P-glycoprotein, both purified and in membrane vesicles. The proposed kinetic scheme(s include a high affinity priming reaction for binding of the first ATP molecule, and an independent pathway for ADP binding outside the main catalytic cycle. They can reproduce to varying degrees the observed behavior of the protein's ATPase activity and its inhibition by ortho-vanadate. The results provide new insights into the mode of action of P-glycoprotein, and some hypotheses about the

  13. 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.

  14. New adaptive time step symplectic integrator: an application to the elliptic restricted three-body problem

    Science.gov (United States)

    Ni, Xiao-Ting; Wu, Xin

    2014-10-01

    The time-transformed leapfrog scheme of Mikkola & Aarseth was specifically designed for a second-order differential equation with two individually separable forms of positions and velocities. It can have good numerical accuracy for extremely close two-body encounters in gravitating few-body systems with large mass ratios, but the non-time-transformed one does not work well. Following this idea, we develop a new explicit symplectic integrator with an adaptive time step that can be applied to a time-dependent Hamiltonian. Our method relies on a time step function having two distinct but equivalent forms and on the inclusion of two pairs of new canonical conjugate variables in the extended phase space. In addition, the Hamiltonian must be modified to be a new time-transformed Hamiltonian with three integrable parts. When this method is applied to the elliptic restricted three-body problem, its numerical precision is explicitly higher by several orders of magnitude than the nonadaptive one's, and its numerical stability is also better. In particular, it can eliminate the overestimation of Lyapunov exponents and suppress the spurious rapid growth of fast Lyapunov indicators for high-eccentricity orbits of a massless third body. The present technique will be useful for conservative systems including N-body problems in the Jacobian coordinates in the the field of solar system dynamics, and nonconservative systems such as a time-dependent barred galaxy model in a rotating coordinate system.

  15. The local-time variation of the quiet plasmasphere: geosynchronous observations and kinetic theory

    Directory of Open Access Journals (Sweden)

    M. A. Reynolds

    Full Text Available The quiet-time structure of the plasmaspheric density was investigated using observations of the Los Alamos geosynchronous satellites, and these observations were compared with theoretical predictions of the quasi-static local-time variation by a kinetic model. It was found that the coupling to the ionosphere (via the local-time variation of the exobase played a key role in determining the density structure at 6.6 RE . The kinetic model predicts that most of the local-time variation at geosynchronous orbit is due to the variation of the exobase parameters. During quiet times, when the convection electric field is dominated by the corotation field, the effects due to flux-tube convection are less prominent than those due to the exobase variation. In addition, the kinetic model predicts that the geosynchronous plasmaspheric density level is at most only 25% of saturation density, even when geomagnetic activity is low. The low night-time densities of the ionospheric footpoints, and the subsequent long trapping time scales, prevent the equatorial densities from reaching saturation.

    Key words. Magnetospheric physics (magnetosphere-ionosphere interactions; plasma convection; plasmasphere

  16. The local-time variation of the quiet plasmasphere: geosynchronous observations and kinetic theory

    Directory of Open Access Journals (Sweden)

    M. A. Reynolds

    2003-11-01

    Full Text Available The quiet-time structure of the plasmaspheric density was investigated using observations of the Los Alamos geosynchronous satellites, and these observations were compared with theoretical predictions of the quasi-static local-time variation by a kinetic model. It was found that the coupling to the ionosphere (via the local-time variation of the exobase played a key role in determining the density structure at 6.6 RE . The kinetic model predicts that most of the local-time variation at geosynchronous orbit is due to the variation of the exobase parameters. During quiet times, when the convection electric field is dominated by the corotation field, the effects due to flux-tube convection are less prominent than those due to the exobase variation. In addition, the kinetic model predicts that the geosynchronous plasmaspheric density level is at most only 25% of saturation density, even when geomagnetic activity is low. The low night-time densities of the ionospheric footpoints, and the subsequent long trapping time scales, prevent the equatorial densities from reaching saturation.Key words. Magnetospheric physics (magnetosphere-ionosphere interactions; plasma convection; plasmasphere

  17. A chaos detectable and time step-size adaptive numerical scheme for nonlinear dynamical systems

    Science.gov (United States)

    Chen, Yung-Wei; Liu, Chein-Shan; Chang, Jiang-Ren

    2007-02-01

    The first step in investigation the dynamics of a continuous time system described by ordinary differential equations is to integrate them to obtain trajectories. In this paper, we convert the group-preserving scheme (GPS) developed by Liu [International Journal of Non-Linear Mechanics 36 (2001) 1047-1068] to a time step-size adaptive scheme, x=x+hf(x,t), where x∈R is the system variables we are concerned with, and f(x,t)∈R is a time-varying vector field. The scheme has the form similar to the Euler scheme, x=x+Δtf(x,t), but our step-size h is adaptive automatically. Very interestingly, the ratio h/Δt, which we call the adaptive factor, can forecast the appearance of chaos if the considered dynamical system becomes chaotical. The numerical examples of the Duffing equation, the Lorenz equation and the Rossler equation, which may exhibit chaotic behaviors under certain parameters values, are used to demonstrate these phenomena. Two other non-chaotic examples are included to compare the performance of the GPS and the adaptive one.

  18. Variable time-stepping in the pathwise numerical solution of the chemical Langevin equation

    Science.gov (United States)

    Ilie, Silvana

    2012-12-01

    Stochastic modeling is essential for an accurate description of the biochemical network dynamics at the level of a single cell. Biochemically reacting systems often evolve on multiple time-scales, thus their stochastic mathematical models manifest stiffness. Stochastic models which, in addition, are stiff and computationally very challenging, therefore the need for developing effective and accurate numerical methods for approximating their solution. An important stochastic model of well-stirred biochemical systems is the chemical Langevin Equation. The chemical Langevin equation is a system of stochastic differential equation with multidimensional non-commutative noise. This model is valid in the regime of large molecular populations, far from the thermodynamic limit. In this paper, we propose a variable time-stepping strategy for the numerical solution of a general chemical Langevin equation, which applies for any level of randomness in the system. Our variable stepsize method allows arbitrary values of the time-step. Numerical results on several models arising in applications show significant improvement in accuracy and efficiency of the proposed adaptive scheme over the existing methods, the strategies based on halving/doubling of the stepsize and the fixed step-size ones.

  19. Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics - Monte Carlo Canonical Propagation Algorithm.

    Science.gov (United States)

    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.

  20. KINETIC-J: A computational kernel for solving the linearized Vlasov equation applied to calculations of the kinetic, configuration space plasma current for time harmonic wave electric fields

    Science.gov (United States)

    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.

  1. A conservative finite volume scheme with time-accurate local time stepping for scalar transport on unstructured grids

    Science.gov (United States)

    Cavalcanti, José Rafael; Dumbser, Michael; Motta-Marques, David da; Fragoso Junior, Carlos Ruberto

    2015-12-01

    In this article we propose a new conservative high resolution TVD (total variation diminishing) finite volume scheme with time-accurate local time stepping (LTS) on unstructured grids for the solution of scalar transport problems, which are typical in the context of water quality simulations. To keep the presentation of the new method as simple as possible, the algorithm is only derived in two space dimensions and for purely convective transport problems, hence neglecting diffusion and reaction terms. The new numerical method for the solution of the scalar transport is directly coupled to the hydrodynamic model of Casulli and Walters (2000) that provides the dynamics of the free surface and the velocity vector field based on a semi-implicit discretization of the shallow water equations. Wetting and drying is handled rigorously by the nonlinear algorithm proposed by Casulli (2009). The new time-accurate LTS algorithm allows a different time step size for each element of the unstructured grid, based on an element-local Courant-Friedrichs-Lewy (CFL) stability condition. The proposed method does not need any synchronization between different time steps of different elements and is by construction locally and globally conservative. The LTS scheme is based on a piecewise linear polynomial reconstruction in space-time using the MUSCL-Hancock method, to obtain second order of accuracy in both space and time. The new algorithm is first validated on some classical test cases for pure advection problems, for which exact solutions are known. In all cases we obtain a very good level of accuracy, showing also numerical convergence results; we furthermore confirm mass conservation up to machine precision and observe an improved computational efficiency compared to a standard second order TVD scheme for scalar transport with global time stepping (GTS). Then, the new LTS method is applied to some more complex problems, where the new scalar transport scheme has also been coupled to

  2. Real-time, single-step bioassay using nanoplasmonic resonator with ultra-high sensitivity

    Science.gov (United States)

    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.

  3. Extension of a spectral time-stepping domain decomposition method for dispersive and dissipative wave propagation.

    Science.gov (United States)

    Botts, Jonathan; Savioja, Lauri

    2015-04-01

    For time-domain modeling based on the acoustic wave equation, spectral methods have recently demonstrated promise. This letter presents an extension of a spectral domain decomposition approach, previously used to solve the lossless linear wave equation, which accommodates frequency-dependent atmospheric attenuation and assignment of arbitrary dispersion relations. Frequency-dependence is straightforward to assign when time-stepping is done in the spectral domain, so combined losses from molecular relaxation, thermal conductivity, and viscosity can be approximated with little extra computation or storage. A mode update free from numerical dispersion is derived, and the model is confirmed with a numerical experiment.

  4. Fractional time stepping for unsteady engineering calculations on parallel computer systems

    Science.gov (United States)

    Molev, Sergey; Podaruev, Vladimir; Troshin, Alexey

    2017-11-01

    The tool for explicit scheme acceleration is described. Its essence is reducing arithmetic operations. Cells of the mesh are scattered by groups named levels. Each level has own time step. Coordination of levels is carried out. The method may be useful for great time scale scattering problems of aerodynamics. Reasons that produce deterioration of unsteady process modelling are revealed. Resolutions that correct the troubles are proposed. Example that demonstrates troubles rising conditions and successful abolition of them is presented. Limit of producing acceleration is denoted. Means that favor effective parallel computing with method are discussed.

  5. Design strategies to address kinetics of drug binding and residence time.

    Science.gov (United States)

    Cusack, Kevin P; Wang, Ying; Hoemann, Michael Z; Marjanovic, Jasmina; Heym, Roland G; Vasudevan, Anil

    2015-01-01

    The kinetics of drug binding and drug residence time are recognized to be important in the clinical effectiveness of drug candidates. In most cases a long residence time of the drug-target complex results in an extended duration of pharmacodynamic activity, even when systemic concentrations of drug have been notably reduced through elimination routes. Hence, if selective for target, long residence times can increase the duration of drug efficacy in vivo and can significantly diminish the potential for off-target-mediated toxicities. Furthermore, a compound with a slower dissociation rate may allow a reduced dosing schedule relative to a compound with a rapid dissociation rate. Factors contributing to long residence time that could be useful to medicinal chemists in the prospective design of compounds with long residence times will be discussed in this perspective. Particular emphasis will be on case studies highlighting how kinetics can be measured, modulated based on supporting structure kinetic relationships and whether these effects are translatable into man. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. 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

  7. Patients with Chronic Obstructive Pulmonary Disease Walk with Altered Step Time and Step Width Variability as Compared with Healthy Control Subjects.

    Science.gov (United States)

    Yentes, Jennifer M; Rennard, Stephen I; Schmid, Kendra K; Blanke, Daniel; Stergiou, Nicholas

    2017-06-01

    Compared with control subjects, patients with chronic obstructive pulmonary disease (COPD) have an increased incidence of falls and demonstrate balance deficits and alterations in mediolateral trunk acceleration while walking. Measures of gait variability have been implicated as indicators of fall risk, fear of falling, and future falls. To investigate whether alterations in gait variability are found in patients with COPD as compared with healthy control subjects. Twenty patients with COPD (16 males; mean age, 63.6 ± 9.7 yr; FEV 1 /FVC, 0.52 ± 0.12) and 20 control subjects (9 males; mean age, 62.5 ± 8.2 yr) walked for 3 minutes on a treadmill while their gait was recorded. The amount (SD and coefficient of variation) and structure of variability (sample entropy, a measure of regularity) were quantified for step length, time, and width at three walking speeds (self-selected and ±20% of self-selected speed). Generalized linear mixed models were used to compare dependent variables. Patients with COPD demonstrated increased mean and SD step time across all speed conditions as compared with control subjects. They also walked with a narrower step width that increased with increasing speed, whereas the healthy control subjects walked with a wider step width that decreased as speed increased. Further, patients with COPD demonstrated less variability in step width, with decreased SD, compared with control subjects at all three speed conditions. No differences in regularity of gait patterns were found between groups. Patients with COPD walk with increased duration of time between steps, and this timing is more variable than that of control subjects. They also walk with a narrower step width in which the variability of the step widths from step to step is decreased. Changes in these parameters have been related to increased risk of falling in aging research. This provides a mechanism that could explain the increased prevalence of falls in patients with COPD.

  8. Rapid expansion method (REM) for time‐stepping in reverse time migration (RTM)

    KAUST Repository

    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.

  9. Scalable explicit implementation of anisotropic diffusion with Runge-Kutta-Legendre super-time stepping

    Science.gov (United States)

    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.

  10. Rubbing time and bonding performance of one-step adhesives to primary enamel and dentin

    Science.gov (United States)

    Botelho, Maria Paula Jacobucci; Isolan, Cristina Pereira; Schwantz, Júlia Kaster; Lopes, Murilo Baena; de Moraes, Rafael Ratto

    2017-01-01

    Abstract Objectives: This study investigated whether increasing the concentration of acidic monomers in one-step adhesives would allow reducing their application time without interfering with the bonding ability to primary enamel and dentin. Material and methods: Experimental one-step self-etch adhesives were formulated with 5 wt% (AD5), 20 wt% (AD20), or 35 wt% (AD35) acidic monomer. The adhesives were applied using rubbing motion for 5, 10, or 20 s. Bond strengths to primary enamel and dentin were tested under shear stress. A commercial etch-and-rinse adhesive (Single Bond 2; 3M ESPE) served as reference. Scanning electron microscopy was used to observe the morphology of bonded interfaces. Data were analysed at pself-etch adhesives. The adhesive layer was thicker and more irregular for the etch-and-rinse material, with no appreciable differences among the self-etch systems. Conclusion: Overall, increasing the acidic monomer concentration only led to an increase in bond strength to enamel when the rubbing time was at least 10 s. In dentin, despite the increase in bond strength with longer rubbing times, the results favoured the experimental adhesives compared to the conventional adhesive. Reduced rubbing time of self-etch adhesives should be avoided in the clinical setup. PMID:29069150

  11. A variable-order time-dependent neutron transport method for nuclear reactor kinetics using analytically-integrated space-time characteristics

    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)

  12. Exploring possible DNA structures in real-time polymerase kinetics using Pacific Biosciences sequencer data.

    Science.gov (United States)

    Sawaya, Sterling; Boocock, James; Black, Michael A; Gemmell, Neil J

    2015-01-28

    Pausing of DNA polymerase can indicate the presence of a DNA structure that differs from the canonical double-helix. Here we detail a method to investigate how polymerase pausing in the Pacific Biosciences sequencer reads can be related to DNA sequences. The Pacific Biosciences sequencer uses optics to view a polymerase and its interaction with a single DNA molecule in real-time, offering a unique way to detect potential alternative DNA structures. We have developed a new way to examine polymerase kinetics data and relate it to the DNA sequence by using a wavelet transform of read information from the sequencer. We use this method to examine how polymerase kinetics are related to nucleotide base composition. We then examine tandem repeat sequences known for their ability to form different DNA structures: (CGG)n and (CG)n repeats which can, respectively, form G-quadruplex DNA and Z-DNA. We find pausing around the (CGG)n repeat that may indicate the presence of G-quadruplexes in some of the sequencer reads. The (CG)n repeat does not appear to cause polymerase pausing, but its kinetics signature nevertheless suggests the possibility that alternative nucleotide conformations may sometimes be present. We discuss the implications of using our method to discover DNA sequences capable of forming alternative structures. The analyses presented here can be reproduced on any Pacific Biosciences kinetics data for any DNA pattern of interest using an R package that we have made publicly available.

  13. Kinetic study of solid phase demineralization by weak acids in one-step enzymatic bio-refinery of shrimp cuticles

    OpenAIRE

    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 ...

  14. On the Role of Chemical Kinetics Modeling in the LES of Premixed Bluff Body and Backward-Facing Step Combustors

    KAUST Repository

    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.

  15. Color changes in wood during heating: kinetic analysis by applying a time-temperature superposition method

    Science.gov (United States)

    Matsuo, Miyuki; Yokoyama, Misao; Umemura, Kenji; Gril, Joseph; Yano, Ken'ichiro; Kawai, Shuichi

    2010-04-01

    This paper deals with the kinetics of the color properties of hinoki ( Chamaecyparis obtusa Endl.) wood. Specimens cut from the wood were heated at 90-180°C as accelerated aging treatment. The specimens completely dried and heated in the presence of oxygen allowed us to evaluate the effects of thermal oxidation on wood color change. Color properties measured by a spectrophotometer showed similar behavior irrespective of the treatment temperature with each time scale. Kinetic analysis using the time-temperature superposition principle, which uses the whole data set, was successfully applied to the color changes. The calculated values of the apparent activation energy in terms of L *, a *, b *, and Δ E^{*}_{ab} were 117, 95, 114, and 113 kJ/mol, respectively, which are similar to the values of the literature obtained for other properties such as the physical and mechanical properties of wood.

  16. Application of the Multistep Generalized Differential Transform Method to Solve a Time-Fractional Enzyme Kinetics

    Directory of Open Access Journals (Sweden)

    Ahmed Alawneh

    2013-01-01

    Full Text Available The multistep differential transform method is first employed to solve a time-fractional enzyme kinetics. This enzyme-substrate reaction is formed by a system of nonlinear ordinary differential equations of fractional order. The fractional derivatives are described in the Caputo sense. A comparative study between the new algorithm and the classical Runge-Kutta method is presented in the case of integer-order derivatives. The results demonstrate reliability and efficiency of the algorithm developed.

  17. Perturbed Strong Stability Preserving Time-Stepping Methods For Hyperbolic PDEs

    KAUST Repository

    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

  18. A one-step, real-time PCR assay for rapid detection of rhinovirus.

    Science.gov (United States)

    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.

  19. 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.

  20. 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.

  1. Solving the dirac equation with nonlocal potential by imaginary time step method

    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 the nonlocal potential in coordinate space by the ITS evolution for the corresponding Schroedinger-like equation for the upper component. It is demonstrated that the ITS evolution can be equivalently performed for the Schroedinger-like equation with or without localization. The latter algorithm is recommended in the application for the reason of simplicity and efficiency. The feasibility and reliability of this algorithm are also illustrated by taking the nucleus 16 O as an example, where the same results as the shooting method for the Dirac equation with localized effective potentials are obtained. (authors)

  2. 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)

  3. Rubbing time and bonding performance of one-step adhesives to primary enamel and dentin

    Directory of Open Access Journals (Sweden)

    Maria Paula Jacobucci Botelho

    Full Text Available Abstract Objectives: This study investigated whether increasing the concentration of acidic monomers in one-step adhesives would allow reducing their application time without interfering with the bonding ability to primary enamel and dentin. Material and methods: Experimental one-step self-etch adhesives were formulated with 5 wt% (AD5, 20 wt% (AD20, or 35 wt% (AD35 acidic monomer. The adhesives were applied using rubbing motion for 5, 10, or 20 s. Bond strengths to primary enamel and dentin were tested under shear stress. A commercial etch-and-rinse adhesive (Single Bond 2; 3M ESPE served as reference. Scanning electron microscopy was used to observe the morphology of bonded interfaces. Data were analysed at p<0.05. Results: In enamel, AD35 had higher bond strength when rubbed for at least 10 s, while application for 5 s generated lower bond strength. In dentin, increased acidic monomer improved bonding only for 20 s rubbing time. The etch-and-rinse adhesive yielded higher bond strength to enamel and similar bonding to dentin as compared with the self-etch adhesives. The adhesive layer was thicker and more irregular for the etch-and-rinse material, with no appreciable differences among the self-etch systems. Conclusion: Overall, increasing the acidic monomer concentration only led to an increase in bond strength to enamel when the rubbing time was at least 10 s. In dentin, despite the increase in bond strength with longer rubbing times, the results favoured the experimental adhesives compared to the conventional adhesive. Reduced rubbing time of self-etch adhesives should be avoided in the clinical setup.

  4. Late time sky as a probe of steps and oscillations in primordial Universe

    Science.gov (United States)

    Ansari Fard, Mohammad; Baghram, Shant

    2018-01-01

    The standard model of cosmology with nearly Gaussian, isotropic, scale invariant and adiabatic initial conditions describes the cosmological observations well. However, the study of any deviation from the mentioned conditions will open up a new horizon to the physics of early universe. In this work, we study the effect of the oscillatory and step-like features in potentials of inflationary models in late time large scale structure observations. Mainly we study the matter power spectrum, number density of the structures, dark matter halo bias and specifically CMB lensing. We show that the oscillatory models can introduce some degeneracy with late time effects on BAO scale. We also conclude that high frequency oscillatory models which are favored by Planck data do not have significant effect on the non linear structure formation. Finally we show that inflationary models with step functions which deviates from the standard model in small scales l <= 1 Mpc can be constrained by future experiments via CMB lensing. We propose the idea that CMB lensing is a bias independent observation which can be used as a small scale physics probe due to distribution of the lenses in low redshifts. Meantime this model can alter the prediction of the cosmological model for the number density of small structures and can be used as a probable explanation for galactic scale crisis of ΛCDM.

  5. Real-time monitoring and control of the load phase of a protein A capture step.

    Science.gov (United States)

    Rüdt, Matthias; Brestrich, Nina; Rolinger, Laura; Hubbuch, Jürgen

    2017-02-01

    The load phase in preparative Protein A capture steps is commonly not controlled in real-time. The load volume is generally based on an offline quantification of the monoclonal antibody (mAb) prior to loading and on a conservative column capacity determined by resin-life time studies. While this results in a reduced productivity in batch mode, the bottleneck of suitable real-time analytics has to be overcome in order to enable continuous mAb purification. In this study, Partial Least Squares Regression (PLS) modeling on UV/Vis absorption spectra was applied to quantify mAb in the effluent of a Protein A capture step during the load phase. A PLS model based on several breakthrough curves with variable mAb titers in the HCCF was successfully calibrated. The PLS model predicted the mAb concentrations in the effluent of a validation experiment with a root mean square error (RMSE) of 0.06 mg/mL. The information was applied to automatically terminate the load phase, when a product breakthrough of 1.5 mg/mL was reached. In a second part of the study, the sensitivity of the method was further increased by only considering small mAb concentrations in the calibration and by subtracting an impurity background signal. The resulting PLS model exhibited a RMSE of prediction of 0.01 mg/mL and was successfully applied to terminate the load phase, when a product breakthrough of 0.15 mg/mL was achieved. The proposed method has hence potential for the real-time monitoring and control of capture steps at large scale production. This might enhance the resin capacity utilization, eliminate time-consuming offline analytics, and contribute to the realization of continuous processing. Biotechnol. Bioeng. 2017;114: 368-373. © 2016 The Authors. Biotechnology and Bioengineering published by Wiley Periodicals, Inc. © 2016 The Authors. Biotechnology and Bioengineering published by Wiley Periodicals, Inc.

  6. Real-time holographic interferometry using photorefractive sillenite crystals with phase-stepping technique

    Science.gov (United States)

    Gesualdi, M. R. R.; Soga, D.; Muramatsu, M.

    2006-01-01

    This work presents a holographic interferometer that uses the photorefractive sillenite crystals in diffusive regimen whose configuration exhibits diffraction anisotropy for real-time holographic interferometry. The writing-reading process of holographic interferogram was done in real-time, connected with an interferogram-analysis method that uses the phase-stepping technique for quantitative measurement of changes on an object. The holographic interferograms from the analyzed surface were captured and they were used to calculate the phase map with four-frame technique. The unwrapping process used was the cellular-automata technique. We obtained quantitative results for some applications: measurements of micro-rotation of surfaces, punctual micro-displacements on an aluminum plate, stress on a dog's jaw, among others; adding new promising applications possibilities for basic research, dentistry and technological areas.

  7. 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)

  8. 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)

  9. 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)

  10. Kinetics of waterborne fluoropolymers prepared by one-step semi-continuous emulsion polymerization of chlorotrifluoroethylene, vinyl acetate, butyl acrylate and Veova 10

    Science.gov (United States)

    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.

  11. Optimization and kinetic modeling of esterification of the oil obtained from waste plum stones as a pretreatment step in biodiesel production.

    Science.gov (United States)

    Kostić, Milan D; Veličković, Ana V; Joković, Nataša M; Stamenković, Olivera S; Veljković, Vlada B

    2016-02-01

    This study reports on the use of oil obtained from waste plum stones as a low-cost feedstock for biodiesel production. Because of high free fatty acid (FFA) level (15.8%), the oil was processed through the two-step process including esterification of FFA and methanolysis of the esterified oil catalyzed by H2SO4 and CaO, respectively. Esterification was optimized by response surface methodology combined with a central composite design. The second-order polynomial equation predicted the lowest acid value of 0.53mgKOH/g under the following optimal reaction conditions: the methanol:oil molar ratio of 8.5:1, the catalyst amount of 2% and the reaction temperature of 45°C. The predicted acid value agreed with the experimental acid value (0.47mgKOH/g). The kinetics of FFA esterification was described by the irreversible pseudo first-order reaction rate law. The apparent kinetic constant was correlated with the initial methanol and catalyst concentrations and reaction temperature. The activation energy of the esterification reaction slightly decreased from 13.23 to 11.55kJ/mol with increasing the catalyst concentration from 0.049 to 0.172mol/dm(3). In the second step, the esterified oil reacted with methanol (methanol:oil molar ratio of 9:1) in the presence of CaO (5% to the oil mass) at 60°C. The properties of the obtained biodiesel were within the EN 14214 standard limits. Hence, waste plum stones might be valuable raw material for obtaining fatty oil for the use as alternative feedstock in biodiesel production. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. A single-step synthesis and the kinetic mechanism for monodisperse and hexagonal-phase NaYF4:Yb, Er upconversion nanophosphors.

    Science.gov (United States)

    Shan, Jingning; Ju, Yiguang

    2009-07-08

    A single-step synthesis for monodisperse and hexagonal-phase (beta) NaYF(4):Yb, Er upconversion nanophosphors (UCNPs) with a consistent hexagonal prism shape in the size range from 18 to 200 nm was achieved. The kinetic mechanisms for the particle phase transition and growth were examined. The beta-UCNPs were obtained via co-thermolysis of trifluoroacetate precursors in octadecene (ODE) with combined ligands of oleic acid (OA) and trioctylphosphine (TOP). The experimental results showed that the combined OA-TOP ligand was crucial for changing the surface energy and controlling the particle shape over a broad size range. It was found that the particle sizes could be controlled by varying the molar ratios of Na(CF(3)COO)/Re(CF(3)COO)(3) (Re = Y, Yb, and Er). A high Na/Re ratio accelerated the cubic-phase (alpha)-->beta transition and promoted the growth of smaller beta-UCNPs. The formation of beta-UCNPs was classified into kinetic and diffusion controlled stages, depending on the reaction temperature and the dominant crystalline phases formed in each stage. In stage I, 250-310 degrees C, NaF generation was the limiting step and alpha-UCNPs were formed via a 'burst of nucleation'. In stage II, above 310 degrees C, the alpha-UCNPs formed were re-dissolved and the growth of beta-UCNPs was a diffusion controlled process governed by the Gibbs-Thompson effect. A quasi-steady-state species assumption for NaF and a chemical potential equilibrium in the solution were introduced to explain the particle size dependence on Na/Re ratios. The study of UC luminescence showed that the UC intensity was proportional to the sizes of the beta-UCNPs.

  13. Towards a comprehensive framework for cosimulation of dynamic models with an emphasis on time stepping

    Science.gov (United States)

    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.

  14. Improving stability of stabilized and multiscale formulations in flow simulations at small time steps

    KAUST Repository

    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.

  15. Electric and hybrid electric vehicle study utilizing a time-stepping simulation

    Science.gov (United States)

    Schreiber, Jeffrey G.; Shaltens, Richard K.; Beremand, Donald G.

    1992-01-01

    The applicability of NASA's advanced power technologies to electric and hybrid vehicles was assessed using a time-stepping computer simulation to model electric and hybrid vehicles operating over the Federal Urban Driving Schedule (FUDS). Both the energy and power demands of the FUDS were taken into account and vehicle economy, range, and performance were addressed simultaneously. Results indicate that a hybrid electric vehicle (HEV) configured with a flywheel buffer energy storage device and a free-piston Stirling convertor fulfills the emissions, fuel economy, range, and performance requirements that would make it acceptable to the consumer. It is noted that an assessment to determine which of the candidate technologies are suited for the HEV application has yet to be made. A proper assessment should take into account the fuel economy and range, along with the driveability and total emissions produced.

  16. 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)

  17. Time-Dependent Effect of Refrigeration on Viscosity and Conversion Kinetics of Dental Adhesive Resins

    Science.gov (United States)

    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 (Prefrigerated 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

  18. First passage times for multiple particles with reversible target-binding kinetics

    Science.gov (United States)

    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.

  19. Detection of Tomato black ring virus by real-time one-step RT-PCR.

    Science.gov (United States)

    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.

  20. Studying Kinetics with Neutrons Prospects for Time-Resolved Neutron Scattering

    CERN Document Server

    Eckold, Götz; Nagler, Stephen E

    2010-01-01

    Neutrons are extremely versatile probes for investigating structure and dynamics in condensed matter. Due to their large penetration depth, they are ideal for in-situ measurements of samples situated in sophisticated and advanced environments. The advent of new high-intensity neutron sources and instruments, as well as the development of new real-time techniques, allows the tracking of transformation processes in condensed matter on a microscopic scale. The present volume provides a review of the state of the art of this new and exciting field of kinetics with neutrons

  1. Validation of fractal-like kinetic models by time-resolved binding kinetics of dansylamide and carbonic anhydrase in crowded media.

    Science.gov (United States)

    Neff, Kevin L; Offord, Chetan P; Caride, Ariel J; Strehler, Emanuel E; Prendergast, Franklyn G; Bajzer, Zeljko

    2011-05-18

    Kinetic studies of biochemical reactions are typically carried out in a dilute solution that rarely contains anything more than reactants, products, and buffers. In such studies, mass-action-based kinetic models are used to analyze the progress curves. However, intracellular compartments are crowded by macromolecules. Therefore, we investigated the adequacy of the proposed generalizations of the mass-action model, which are meant to describe reactions in crowded media. To validate these models, we measured time-resolved kinetics for dansylamide binding to carbonic anhydrase in solutions crowded with polyethylene glycol and Ficoll. The measured progress curves clearly show the effects of crowding. The fractal-like model proposed by Savageau was used to fit these curves. In this model, the association rate coefficient k(a) allometrically depends on concentrations of reactants. We also considered the fractal kinetic model proposed by Schnell and Turner, in which k(a) depends on time according to a Zipf-Mandelbrot distribution, and some generalizations of these models. We found that the generalization of the mass-action model, in which association and dissociation rate coefficients are concentration-dependent, represents the preferred model. Other models based on time-dependent rate coefficients were inadequate or not preferred by model selection criteria. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  2. Coupled kinetic equations for fermions and bosons in the relaxation-time approximation

    Science.gov (United States)

    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.

  3. The G2 erosion model: An algorithm for month-time step assessments.

    Science.gov (United States)

    Karydas, Christos G; Panagos, Panos

    2018-02-01

    A detailed description of the G2 erosion model is presented, in order to support potential users. G2 is a complete, quantitative algorithm for mapping soil loss and sediment yield rates on month-time intervals. G2 has been designed to run in a GIS environment, taking input from geodatabases available by European or other international institutions. G2 adopts fundamental equations from the Revised Universal Soil Loss Equation (RUSLE) and the Erosion Potential Method (EPM), especially for rainfall erosivity, soil erodibility, and sediment delivery ratio. However, it has developed its own equations and matrices for the vegetation cover and management factor and the effect of landscape alterations on erosion. Provision of month-time step assessments is expected to improve understanding of erosion processes, especially in relation to land uses and climate change. In parallel, G2 has full potential to decision-making support with standardised maps on a regular basis. Geospatial layers of rainfall erosivity, soil erodibility, and terrain influence, recently developed by the Joint Research Centre (JRC) on a European or global scale, will further facilitate applications of G2. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

  4. Time-Resolved Kinetic Chirped-Pulse Rotational Spectroscopy in a Room-Temperature Flow Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Zaleski, Daniel P. [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, United States; Harding, Lawrence B. [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, United States; Klippenstein, Stephen J. [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, United States; Ruscic, Branko [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, United States; Prozument, Kirill [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, United States

    2017-12-07

    Chirped-pulse Fourier transform millimeter-wave spectroscopy is a potentially powerful tool for studying chemical reaction dynamics and kinetics. Branching ratios of multiple reaction products and intermediates can be measured with unprecedented chemical specificity; molecular isomers, conformers, and vibrational states have distinct rotational spectra. Here we demonstrate chirped-pulse spectroscopy of vinyl cyanide photoproducts in a flow tube reactor at ambient temperature of 295 K and pressures of 1-10 mu bar. This in situ and time-resolved experiment illustrates the utility of this novel approach to investigating chemical reaction dynamics and kinetics. Following 193 nm photodissociation of CH2CHCN, we observe rotational relaxation of energized HCN, HNC, and HCCCN photoproducts with 10 mu s time resolution and sample the vibrational population distribution of HCCCN. The experimental branching ratio HCN/HCCCN is compared with a model based on RRKM theory using high-level ab initio calculations, which were in turn validated by comparisons to Active Thermochemical Tables enthalpies.

  5. Kinetic modeling of the effect of solids retention time on methanethiol dynamics in anaerobic digestion.

    Science.gov (United States)

    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.

  6. Deactivation and coking kinetic relations between activity, concentration of coke and time-on-stream for different mechanisms of formation and growth of the coke

    Energy Technology Data Exchange (ETDEWEB)

    Corella, J.; Monzon, A.

    1988-08-01

    The kinetic equations activity-coke concentration, and coke concentration-time-on-stream are deduced for four different mechanisms of coke formation and growth. In this development a basic parameter is the number (h) of active sites covered by molecule of coke in the controlling step of the mechanism of formation of the coke. The four mechanisms studied have been: (1) coke formation in a monolayer; (2) coke formation in multilayers with h constant with the time, which gives rise to coke in filaments; (3) coke formation in multilayers, in an arbitrary manner, with h variable (steric hindrance) with the time-on-stream; and (4) formation of multilayers with adjacent site coverage (steric hindrance) and/or pore blockage. The 115 different kinetic equations here deduced for these mechanisms include all the empirical and mechanistic kinetic equations of the a-C/sub c/ or C/sub c/-t type used up to now. 56 refs., 11 figs., 4 tabs.

  7. A Two-Step RKC Method for Time-Dependent PDEs

    International Nuclear Information System (INIS)

    Sommeijer, Ben; Verwer, Jan

    2008-01-01

    An integration method is discussed which has been designed to treat parabolic and hyperbolic terms explicitly and stiff reaction terms implicitly. The method is a special two-step form of the one-step IMEX (IMplicit-EXplicit) RKC (Runge-Kutta-Chebyshev) method. The special two-step form is introduced with the aim of getting a non-zero imaginary stability boundary which is zero for the one-step method. Having a non-zero imaginary stability boundary allows, for example, the integration of pure advection equations space-discretized with centered schemes, the integration of damped or viscous wave equations, the integration of coupled sound and heat flow equations, etc. For our class of methods it also simplifies the choice of temporal step sizes satisfying the von Neumann stability criterion, by embedding a thin long rectangle inside the stability region.

  8. A simplified procedure to compute dialysis time and frequency by means of urea kinetics.

    Science.gov (United States)

    Ahrenholz, P; Falkenhagen, D; Klinkmann, H

    1988-09-01

    A simplified urea model is presented based on the concept of the time-averaged deviation (TAD) of the blood urea concentration and the introduction of an effective urea generation rate. The increase in the interdialytic blood urea concentration delta c is specific for the individual patient and includes the urea generation rate, distribution volume and residual kidney clearance. By measuring delta c of the largest interdialytic interval of the week the treatment frequency and duration can be calculated. Even for larger residual clearances Kr less than or equal to 5 ml/min this calculated treatment time does not differ by more than 5 min from the result of the exact urea kinetics. In vivo estimation of the urea clearances versus blood flow for the dialyzer types used is necessary for the application of urea modelling in clinical practice.

  9. Step-Growth Polymerization.

    Science.gov (United States)

    Stille, J. K.

    1981-01-01

    Following a comparison of chain-growth and step-growth polymerization, focuses on the latter process by describing requirements for high molecular weight, step-growth polymerization kinetics, synthesis and molecular weight distribution of some linear step-growth polymers, and three-dimensional network step-growth polymers. (JN)

  10. From Non-equilibrium to Equilibrium: Micellar Kinetics seen by Time-resolved Small-angle Scattering

    Science.gov (United States)

    Lund, Reidar

    The kinetic pathways of self-assembled nanostructures are not fully understood. Time-resolved small-angle X-ray/neutron scattering (TR-SAXS/SANS) is powerful technique1 that allows kinetics processes such as nucleation processes2,3 and morphological transitions4,5 to be followed with structural resolution over time scales starting from milliseconds. Neutrons offer the additional advantage of facile contrast variation through H/D substitution schemes, which also allow equilibrium processes such as molecular exchange and diffusion to be studied1 , 6 , 7. Here we will highlight the current capabilities of TR-SAS and show results on the kinetics of polymeric micelles. We will address how the understanding of kinetic pathways can be used control the nanostructure.

  11. Tracer kinetic model-driven registration for dynamic contrast-enhanced MRI time-series data.

    Science.gov (United States)

    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.

  12. 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.

  13. Kinetic study of time-dependent fixation of UVI 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 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 VI and contact time. Uranium (U 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 VI within the biochar structure. Desorption experiments showed that U VI was only sparingly desorbable from the biochar with time and isotopic dilution with 233 U VI confirmed the low, or time-dependent, lability of adsorbed 238 U 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.

  14. Study on coupling of three-dimension space time neutron kinetics model and RELAP5 and improvement of RELAP5

    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)

  15. Kinetics of the template-directed oligomerization of guanosine 5'-phosphate-2-methylimidazolide: Effect of temperature on individual steps of reactionion

    Science.gov (United States)

    Kanavarioti, A.; Bernasconi, C. F.; Alberas, D. J.

    1991-01-01

    Non-enzymatic, template-directed reactions have been proposed as models for prebiological polynucleotide synthesis. Chemically activated mononucleotides react in the presence of a polynucleotide, acting as the template in a Watson-Crick base-pairing fashing, and form the complementary daughter polynucleotide. Phosphoimidazolide-activated nucleotides have been used successfully as substrates in these reactions. The kinetics of the guanosine 5'-monophosphate-2-methylimidazolide (2-MelmpG) reaction in aqueous pH 8.0 solutions in the presence and in the absence of polycytidylate (poly(C)) were studied, acting as the template at 6, 23, and 37 C. In the absence of the template, the major reaction pathway of 2-MelmpG is hydrolysis of the P-N bond to form the unreactive guanosine 5'-monophosphate (5'-GMP) and 2-methylimidazole. Concentrated solution of 2-MelmpG (greater than 0.02 M) in the absence of the template form only a small amount dinucleotide, (pG)2, but in the presence of poly(C), oligoguanylates, (pG)n with 2 less than or = n less than or = 40, can be detected. We were able to determine the rate constants for individual steps of this reaction. A summary of the conclusions is presented.

  16. Two-Step Production of Phenylpyruvic Acid from L-Phenylalanine by Growing and Resting Cells of Engineered Escherichia coli: Process Optimization and Kinetics Modeling.

    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.

  17. Comparison of sum-of-hourly and daily time step standardized ASCE Penman-Monteith reference evapotranspiration

    Science.gov (United States)

    Djaman, Koffi; Irmak, Suat; Sall, Mamadou; Sow, Abdoulaye; Kabenge, Isa

    2017-10-01

    The objective of this study was to quantify differences associated with using 24-h time step reference evapotranspiration (ETo), as compared with the sum of hourly ETo computations with the standardized ASCE Penman-Monteith (ASCE-PM) model for semi-arid dry conditions at Fanaye and Ndiaye (Senegal) and semiarid humid conditions at Sapu (The Gambia) and Kankan (Guinea). The results showed that there was good agreement between the sum of hourly ETo and daily time step ETo at all four locations. The daily time step overestimated the daily ETo relative to the sum of hourly ETo by 1.3 to 8% for the whole study periods. However, there is location and monthly dependence of the magnitude of ETo values and the ratio of the ETo values estimated by both methods. Sum of hourly ETo tends to give higher ETo during winter time at Fanaye and Sapu, while the daily ETo was higher from March to November at the same weather stations. At Ndiaye and Kankan, daily time step estimates of ETo were high during the year. The simple linear regression slopes between the sum of 24-h ETo and the daily time step ETo at all weather stations varied from 1.02 to 1.08 with high coefficient of determination (R 2 ≥ 0.87). Application of the hourly ETo estimation method might help on accurate ETo estimation to meet irrigation requirement under precision agriculture.

  18. Stability of the high-order finite elements for acoustic or elastic wave propagation with high-order time stepping

    KAUST Repository

    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.

  19. 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.

  20. Shrinkage stress kinetics of Bulk Fill resin-based composites at tooth temperature and long time.

    Science.gov (United States)

    Kalliecharan, David; Germscheid, William; Price, Richard B; Stansbury, Jeffrey; Labrie, Daniel

    2016-11-01

    To determine the shrinkage stress kinetics at up to 12h after light exposure and at tooth temperature during placement of selected Bulk Fill resin-based composites (RBCs). Five representative Bulk Fill RBCs from four companies were chosen with a wide range of viscosity and filler volume content. The shrinkage stress kinetics at T=33°C was measured continuously over a period of 12h using a modified tensometer with the ability to measure the cantilever beam deflection to better than 40nm accuracy at a sampling rate of up to 200 samples/s, and thermally stable resulting in a measurement accuracy better than 0.05MPa at 12h. The tensometer compliance was 0.105μm/N. A custom made heater was used to control the RBC sample temperature at T=33°C with a temperature gradient across the sample of less than 1°C. The samples were irradiated for 20s with irradiance of 1.1W/cm 2 and total energy density of 22J/cm 2 . Three samples (n=3) were used for each RBCs. The shrinkage stress at 12h for the five Bulk Fill RBCs ranged from 2.21 to 3.05MPa, maximum stress rate ((dS/dt) M ) varied from 0.18 to 0.41MPa/s, time at which the maximum stress rate occurred (t Max ) were between 1.42 to 3.24s and effective gel time (t gel ) varied from 50 to 770ms. Correlations were observed between (dS/dt) M and t Max (r=-0.946), t Max and filler volume fraction (r=-0.999), and between the shrinkage stress at 12h and t gel (r=0.994). However, no correlation was observed between the stress at 12h and filler volume fraction. The shrinkage stress for four of the five Bulk Fill RBCs were not significantly different (p<0.05) at 6h and beyond after photo-curing and that fully developed stress induced by photo-cured RBCs may only be reached at times longer than 12h. Copyright © 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  1. Simulations of an Argon Z-pinch Implosion with time-dependent non-LTE kinetics

    Science.gov (United States)

    Ouart, N.; Dasgupta, A.; Giuliani, J.; Jones, B.; Ampleford, D.; Harvey-Thompson, A.; Jennings, C.; Tangri, V.; Clark, R.

    2017-10-01

    Three argon gas-puff implosions were performed on the Z-machine at SNL. These three loads had the same density profile from an 8cm dia. nozzle, a 1mg/cm mass, and a 2.5cm length. The experiments produced similar radiative powers and yields. Simulations with the 2D MHD code Mach2-TCRE reproduced the experimental K-shell powers, yields, and emission region. It was also shown that the ratio of the Ly α to He α + IC lines from the simulation had good agreement to measurements after peak K-power; however, the simulation's line ratio was higher prior to the peak power. The authors attribute the difference to 3D effects or on the implicit assumption of steady-state population kinetics. This presentation will illustrate the effect of time-dependent level populations on the radiation from simulations using the NRL DZAPP code. DZAPP is a coupled 1D MHD, detailed non-LTE atomic physics with radiation transport, incorporating a transmission line circuit. The line ratios and K-powers from the steady-state and time-dependent populations will be presented and compared with experiment. This work supported by DOE/NNSA. SNL is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International, Inc., for the US DOE/NNSA under contract DE-NA-0003525.

  2. Distribution of dwell times of a ribosome: effects of infidelity, kinetic proofreading and ribosome crowding

    Science.gov (United States)

    Sharma, Ajeet K.; Chowdhury, Debashish

    2011-04-01

    Ribosome is a molecular machine that polymerizes a protein where the sequence of the amino acid residues, the monomers of the protein, is dictated by the sequence of codons (triplets of nucleotides) on a messenger RNA (mRNA) that serves as the template. The ribosome is a molecular motor that utilizes the template mRNA strand also as the track. Thus, in each step the ribosome moves forward by one codon and, simultaneously, elongates the protein by one amino acid. We present a theoretical model that captures most of the main steps in the mechanochemical cycle of a ribosome. The stochastic movement of the ribosome consists of an alternating sequence of pause and translocation; the sum of the durations of a pause and the following translocation is the time of dwell of the ribosome at the corresponding codon. We derive the analytical expression for the distribution of the dwell times of a ribosome in our model. Wherever experimental data are available, our theoretical predictions are consistent with those results. We suggest appropriate experiments to test the new predictions of our model, particularly the effects of the quality control mechanism of the ribosome and that of their crowding on the mRNA track.

  3. Numerical solution of unsteady generalized Newtonian and Oldroyd-B fluids flow by dual time-stepping method

    Science.gov (United States)

    Keslerová, R.; Kozel, K.

    2014-03-01

    This work deals with the numerical solution of viscous and viscoelastic fluids flow. The governing system of equations is based on the system of balance laws for mass and momentum for incompressible laminar fluids. Different models for the stress tensor are considered. For viscous fluids flow Newtonian model is used. For the describing of the behaviour of the mixture of viscous and viscoelastic fluids Oldroyd-B model is used. Numerical solution of the described models is based on cell-centered finite volume method in conjunction with artificial compressibility method. For time integration an explicit multistage Runge-Kutta scheme is used. In the case of unsteady computation dual-time stepping method is considered. The principle of dual-time stepping method is following. The artificial time is introduced and the artificial compressibility method in the artificial time is applied.

  4. The importance of water transit time and mineral dissolution kinetics for the flux of weathering products

    Science.gov (United States)

    Erlandsson, Martin; Bishop, Kevin; Köhler, Stephan; Amvrosiadi, Nino

    2016-04-01

    Soil mineral weathering is one of the major sources of base cations (BC), which play a dual role for a forest ecosystem; they function both as plant nutrients, and for buffering against acidification of catchment runoff. On a long-term basis, the soil weathering rates will determine the highest sustainable forest productivity without causing acidification. It is believed that the hydrologic residence time play a key role in determining weathering rates on a landscape scale. In this study, we investigate the significance of the water transit residence time (WTT) distribution for the transport of base cations to catchment runoff. By modelling hillslope flowpaths with different transit times, using the geochemical computing code PHREEQC, we demonstrate how in-stream dynamics as exemplified by elemental ratios can be explained by mineral dissolution kinetics and equilibria. Specifically, we hypothesize that equilibrium of plagioclase regulates the delivery of base cations and silica to catchment runoff. These patters can be seen in field data from 10 years of sampling from a nested-catchment, where the Na+/BC and the Si/BC-ratios vary systematically with WTT on both a temporal and a spatial scale. This behavior has implications for the total transport of products from mineral dissolution to catchment runoff. As the water entering the stream is a mixture of water with different transit times, the composition of stream water will not only be dependent on the average WTT, but also on the shape of the WTT distribution. For the base cations associated with minerals that becomes supersaturated or with precipitating secondary phases within the range of WTT, i.e. Na+ and K+, the tails of "old water" of the WRT-distribution will not contribute to any extra transport of these elements. Finally, we use the derived relationships to estimate the transport of weathering products from a forested hillslope, given the modelled WRT distribution.

  5. Time-stepping stability of continuous and discontinuous finite-element methods for 3-D wave propagation

    NARCIS (Netherlands)

    Mulder, W.A.; Zhebel, E.; Minisini, S.

    2013-01-01

    We analyse the time-stepping stability for the 3-D acoustic wave equation, discretized on tetrahedral meshes. Two types of methods are considered: mass-lumped continuous finite elements and the symmetric interior-penalty discontinuous Galerkin method. Combining the spatial discretization with the

  6. 3D elastic wave modeling using modified high‐order time stepping schemes with improved stability conditions

    KAUST Repository

    Chu, Chunlei

    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.

  7. Two-step relaxation mode analysis with multiple evolution times applied to all-atom molecular dynamics protein simulation

    Science.gov (United States)

    Karasawa, N.; Mitsutake, A.; Takano, H.

    2017-12-01

    Proteins implement their functionalities when folded into specific three-dimensional structures, and their functions are related to the protein structures and dynamics. Previously, we applied a relaxation mode analysis (RMA) method to protein systems; this method approximately estimates the slow relaxation modes and times via simulation and enables investigation of the dynamic properties underlying the protein structural fluctuations. Recently, two-step RMA with multiple evolution times has been proposed and applied to a slightly complex homopolymer system, i.e., a single [n ] polycatenane. This method can be applied to more complex heteropolymer systems, i.e., protein systems, to estimate the relaxation modes and times more accurately. In two-step RMA, we first perform RMA and obtain rough estimates of the relaxation modes and times. Then, we apply RMA with multiple evolution times to a small number of the slowest relaxation modes obtained in the previous calculation. Herein, we apply this method to the results of principal component analysis (PCA). First, PCA is applied to a 2-μ s molecular dynamics simulation of hen egg-white lysozyme in aqueous solution. Then, the two-step RMA method with multiple evolution times is applied to the obtained principal components. The slow relaxation modes and corresponding relaxation times for the principal components are much improved by the second RMA.

  8. Mixed butanols addition to gasoline surrogates: Shock tube ignition delay time measurements and chemical kinetic modeling

    KAUST Repository

    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.

  9. A stabilized Runge–Kutta–Legendre method for explicit super-time-stepping of parabolic and mixed equations

    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

  10. 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

  11. 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)

  12. Kinetic model for the finite-time thermodynamics of small heat engines

    Science.gov (United States)

    Cerino, Luca; Puglisi, Andrea; Vulpiani, Angelo

    2015-03-01

    We study a molecular engine constituted by a gas of N ˜102 molecules enclosed between a massive piston and a thermostat. The force acting on the piston and the temperature of the thermostat are cyclically changed with a finite period τ . In the adiabatic limit τ →∞ , even for finite size N , the average work and heat reproduce the thermodynamic values, recovering the Carnot result for the efficiency. The system exhibits a stall time τ* where the net work is zero: for τ consumes work instead of producing it, acting as a refrigerator or as a heat sink. At τ >τ* the efficiency at maximum power is close to the Curzorn-Ahlborn limit. The fluctuations of work and heat display approximatively a Gaussian behavior. Based upon kinetic theory, we develop a three-variables Langevin model in which the piston's position and velocity are linearly coupled together with the internal energy of the gas. The model reproduces many of the system's features, such as the inversion of the work's sign, the efficiency at maximum power, and the approximate shape of the fluctuations. A further simplification in the model allows us to compute analytically the average work, explaining its nontrivial dependence on τ .

  13. Analyzing bean extracts using time-dependent SDS trapping to quantify the kinetic stability of phaseolin proteins.

    Science.gov (United States)

    Thibeault, Jane; Church, Jennifer; Ortiz-Perez, Brian; Addo, Samuel; Hill, Shakeema; Khalil, Areeg; Young, Malaney; Xia, Ke; Colón, Wilfredo

    2017-09-30

    In common beans and lima bean, the storage protein phaseolin is difficult to degrade and SDS-resistant, a sign of kinetic stability. Kinetically stable proteins (KSPs) are characterized by having a high-energy barrier between the native and denatured states that results in very slow unfolding. Such proteins are resistant to proteolytic degradation and detergents, such as SDS. Here the method SDS-Trapping of Proteins (S-TraP) is applied directly on bean extracts to quantify the kinetic stability of phaseolin in lima bean and several common beans, including black bean, navy bean, and small red bean. The bean extracts were incubated in SDS at various temperatures (60-75 °C) for different time periods, followed by SDS-PAGE analysis at room temperature, and subsequent band quantification to determine the kinetics of phaseolin unfolding. Eyring plot analysis showed that the phaseolin from each bean has high kinetic stability, with an SDS-trapping (i.e. unfolding) half-life ranging from about 20-100 years at 24 °C and 2-7 years at 37 °C. The remarkably high kinetic stability of these phaseolin proteins is consistent with the low digestibility of common beans and lima bean, as well as their relatively high germination temperatures. From a practical perspective, this work exemplifies that S-TraP is a useful and cost-effective method for quantifying the kinetic stability of proteins in biological extracts or lysates. Depending on the protein to be studied and its abundance, S-TraP may be performed directly on the extract without need for protein purification. Copyright © 2017 Elsevier Inc. All rights reserved.

  14. 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

  15. Understanding long-time vacancy aggregation in iron : a kinetic Activation-Relaxation Technique study

    OpenAIRE

    Brommer, Peter; Béland, Laurent Karim; Joly, Jean-Francois; Mousseau, N. (Normand)

    2014-01-01

    Vacancy diffusion and clustering processes in body-centered-cubic (bcc) Fe are studied using the kinetic activation-relaxation technique (k-ART), an off-lattice kinetic Monte Carlo method with on-the-fly catalog building capabilities. For monovacancies and divacancies, k-ART recovers previously published results while clustering in a 50-vacancy simulation box agrees with experimental estimates. Applying k-ART to the study of clustering pathways for systems containing from one to six vacancies...

  16. Kinetic Modelling of Oil Extraction from Neem Seed | Ogunleye ...

    African Journals Online (AJOL)

    The suitability of three different types of extraction kinetic models (one- step, two –step and three – step models) for neem oil was investigated in this study. Solvent extraction using n-hexane at temperatures range between 303K and 323 K ; 360minutes of extraction time were experimented and the oil yield calculated.

  17. Cu(II immobilization onto a one-step synthesized poly(4-vinylpyridine-co-ethylene glycol dimethacrylate resin: Kinetics and XPS analysis

    Directory of Open Access Journals (Sweden)

    Maksin Danijela D.

    2016-01-01

    Full Text Available Synthesis of an unconventional resin based on 4-vinylpyridine (4-VP and its Cu(II sorption behavior were studied. Three samples of macroporous crosslinked poly(4-vinylpyridine-co-ethylene glycol dimethacrylate [P4VPE] with different porosity parameters were prepared by suspension copolymerization by varying the n-heptane amount in the inert component. The samples were characterized by mercury porosimetry, elemental analysis and x-ray photoelectron spectroscopy (XPS. The sorption of P4VPE for Cu(II ions, determined under non-competitive conditions, was relatively rapid, i.e. the maximum capacity was reached within 30 min. The maximum experimental sorption capacity for the sample with the highest values of pore diameter and specific pore volume (Sample 3, Qeq = 89 mg g-1 was 17.5 times higher than for the sample with the lowest values of pore diameter and specific pore volume (Sample 1, Qeq = 5.1 mg g-1. Since the values for pyridine content in all P4VPE samples were almost the same, it was concluded that the porosity parameters have predominant influence on Cu(II sorption rates on P4VPE. The sorption behavior and the rate-controlling mechanisms were analyzed using six kinetic models (pseudo-first order, pseudo-second order, Elovich, intraparticle diffusion, Bangham and Boyd models. XPS study clarified the nature of the formed P4VPE-Cu(II species. [Projekat Ministarstva nauke Republike Srbije, br. TR 37021 i br. III 43009

  18. Structure-kinetic relationship studies of cannabinoid CB2receptor agonists reveal substituent-specific lipophilic effects on residence time.

    Science.gov (United States)

    Soethoudt, Marjolein; Hoorens, Mark W H; Doelman, Ward; Martella, Andrea; van der Stelt, Mario; Heitman, Laura H

    2018-03-21

    A decade ago, the drug-target residence time model has been (re-)introduced, which describes the importance of binding kinetics of ligands on their protein targets. Since then, it has been applied successfully for multiple protein targets, including GPCRs, for the development of lead compounds with slow dissociation kinetics (i.e. long target residence time) to increase in vivo efficacy or with short residence time to prevent on-target associated side effects. To date, this model has not been applied in the design and pharmacological evaluation of novel selective ligands for the cannabinoid CB 2 receptor (CB 2 R), a GPCR with therapeutic potential in the treatment of tissue injury and inflammatory diseases. Here, we have investigated the relationships between physicochemical properties, binding kinetics and functional activity in two different signal transduction pathways, G protein activation and β-arrestin recruitment. We synthesized 24 analogues of 3-cyclopropyl-1-(4-(6-((1,1-dioxidothiomorpholino)methyl)-5-fluoropyridin-2-yl)benzyl)imidazoleidine-2,4-dione (LEI101), our previously reported in vivo active and CB 2 R-selective agonist, with varying basicity and lipophilicity. We identified a positive correlation between target residence time and functional potency due to an increase in lipophilicity on the alkyl substituents, which was not the case for the amine substituents. Basicity of the agonists did not show a relationship with affinity, residence time or functional activity. Our findings provide important insights about the effects of physicochemical properties of the specific substituents of this scaffold on the binding kinetics of agonists and their CB 2 R pharmacology. This work therefore shows how CB 2 R agonists can be designed to have optimal kinetic profiles, which could aid the lead optimization process in drug discovery for the study or treatment of inflammatory diseases. Copyright © 2018 The Authors. Published by Elsevier Inc. All rights

  19. Counterrotating prop-fan simulations which feature a relative-motion multiblock grid decomposition enabling arbitrary time-steps

    Science.gov (United States)

    Janus, J. Mark; Whitfield, David L.

    1990-01-01

    Improvements are presented of a computer algorithm developed for the time-accurate flow analysis of rotating machines. The flow model is a finite volume method utilizing a high-resolution approximate Riemann solver for interface flux definitions. The numerical scheme is a block LU implicit iterative-refinement method which possesses apparent unconditional stability. Multiblock composite gridding is used to orderly partition the field into a specified arrangement of blocks exhibiting varying degrees of similarity. Block-block relative motion is achieved using local grid distortion to reduce grid skewness and accommodate arbitrary time step selection. A general high-order numerical scheme is applied to satisfy the geometric conservation law. An even-blade-count counterrotating unducted fan configuration is chosen for a computational study comparing solutions resulting from altering parameters such as time step size and iteration count. The solutions are compared with measured data.

  20. Recursive solutions for multi-group neutron kinetics diffusion equations in homogeneous three-dimensional rectangular domains with time dependent perturbations

    Energy Technology Data Exchange (ETDEWEB)

    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.

  1. From elementary steps to structural relaxation: a continuous-time random-walk analysis of a supercooled liquid.

    Science.gov (United States)

    Rubner, Oliver; Heuer, Andreas

    2008-07-01

    We show that the dynamics of supercooled liquids, analyzed from computer simulations of the binary mixture Lennard-Jones system, can be described in terms of a continuous-time random walk (CTRW). The required discretization comes from mapping the dynamics on transitions between metabasins. This yields a quantitative link between the elementary step and the full structural relaxation. The analysis involves a verification of the CTRW conditions as well as a quantitative test of the predictions. The wave-vector dependence of the relaxation time and the degree of nonexponentiality can be expressed in terms of the first moments of the waiting time distribution.

  2. Optimization of antifungal activity of Aeollanthus heliotropioides oliv essential oil and Time Kill Kinetic Assay.

    Science.gov (United States)

    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.

  3. Adaptive discrete-time controller design with neural network for hypersonic flight vehicle via back-stepping

    Science.gov (United States)

    Xu, Bin; Sun, Fuchun; Yang, Chenguang; Gao, Daoxiang; Ren, Jianxin

    2011-09-01

    In this article, the adaptive neural controller in discrete time is investigated for the longitudinal dynamics of a generic hypersonic flight vehicle. The dynamics are decomposed into the altitude subsystem and the velocity subsystem. The altitude subsystem is transformed into the strict-feedback form from which the discrete-time model is derived by the first-order Taylor expansion. The virtual control is designed with nominal feedback and neural network (NN) approximation via back-stepping. Meanwhile, one adaptive NN controller is designed for the velocity subsystem. To avoid the circular construction problem in the practical control, the design of coefficients adopts the upper bound instead of the nominal value. Under the proposed controller, the semiglobal uniform ultimate boundedness stability is guaranteed. The square and step responses are presented in the simulation studies to show the effectiveness of the proposed control approach.

  4. Continuous-Time Random Walk with multi-step memory: an application to market dynamics

    Science.gov (United States)

    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.

  5. Assessment of radiopacity of restorative composite resins with various target distances and exposure times and a modified aluminum step wedge

    Energy Technology Data Exchange (ETDEWEB)

    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.

  6. Narrowing the Expertise Gap for Predicting Intracranial Aneurysm Hemodynamics: Impact of Solver Numerics versus Mesh and Time-Step Resolution.

    Science.gov (United States)

    Khan, M O; Valen-Sendstad, K; Steinman, D A

    2015-07-01

    Recent high-resolution computational fluid dynamics studies have uncovered the presence of laminar flow instabilities and possible transitional or turbulent flow in some intracranial aneurysms. The purpose of this study was to elucidate requirements for computational fluid dynamics to detect these complex flows, and, in particular, to discriminate the impact of solver numerics versus mesh and time-step resolution. We focused on 3 MCA aneurysms, exemplifying highly unstable, mildly unstable, or stable flow phenotypes, respectively. For each, the number of mesh elements was varied by 320× and the number of time-steps by 25×. Computational fluid dynamics simulations were performed by using an optimized second-order, minimally dissipative solver, and a more typical first-order, stabilized solver. With the optimized solver and settings, qualitative differences in flow and wall shear stress patterns were negligible for models down to ∼800,000 tetrahedra and ∼5000 time-steps per cardiac cycle and could be solved within clinically acceptable timeframes. At the same model resolutions, however, the stabilized solver had poorer accuracy and completely suppressed flow instabilities for the 2 unstable flow cases. These findings were verified by using the popular commercial computational fluid dynamics solver, Fluent. Solver numerics must be considered at least as important as mesh and time-step resolution in determining the quality of aneurysm computational fluid dynamics simulations. Proper computational fluid dynamics verification studies, and not just superficial grid refinements, are therefore required to avoid overlooking potentially clinically and biologically relevant flow features. © 2015 by American Journal of Neuroradiology.

  7. PSA kinetics after prostate brachytherapy: PSA bounce phenomenon and its implications for PSA doubling time.

    Science.gov (United States)

    Ciezki, Jay P; Reddy, Chandana A; Garcia, Jorge; Angermeier, Kenneth; Ulchaker, James; Mahadevan, Arul; Chehade, Nabil; Altman, Andrew; Klein, Eric A

    2006-02-01

    To analyze prostate-specific antigen (PSA) kinetics in patients treated with prostate brachytherapy (PI) with a minimum of 5 years of PSA follow-up. 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. 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 using the bF3 definition and 8.8 months using

  8. PSA kinetics after prostate brachytherapy: PSA bounce phenomenon and its implications for PSA doubling time

    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

  9. Effects of Mg Addition with Natural Aging Time on Two-Step Aging Behavior in Al-Mg-Si Alloys.

    Science.gov (United States)

    Im, Jiwoo; Kim, JaeHwang

    2018-03-01

    Influence of Mg contents with the natural aging (NA) time on the two-step aging behavior in Al-Mg-Si alloys is studied. Hardness is gradually increased during NA in the 3M4S, whereas dramatic increase of hardness after NA for 3.6 ks is confirmed in the 9M4S. Similar peak hardness is confirmed between the two-step aged and single aged samples in the 3M4S. It means that there is no negative effect of two-step aging. On the other hand, the peak hardness is decreased for the naturally-aged sample compared with the single aged one in the 9M4S. Formation of Cluster (1) is accelerated by the Mg addition, resulting in the negative effect of two-step aging. Meanwhile, the formation of the precipitates is accelerated by Mg addition during aging at 170 °C. The precipitate formed at the peak hardness during aging at 170 °C after natural aging for 43.2 ks is identified as the β″ phase based on the high resolution transmission electron microscope observation.

  10. Stepping out of Time : Performing Queer Temporality, Memory, and Relationality in Timelining

    NARCIS (Netherlands)

    Kessel, van L.

    2017-01-01

    In their performance Timelining, Brennan Gerard and Ryan Kelly explore the ways in which intimate relationships are constituted in time. The performance consists of a memory game in which two performers retrace their shared history as a couple. Throughout the performance, the various actions

  11. One-step electrodeposition process of CuInSe2: Deposition time effect

    Indian Academy of Sciences (India)

    Administrator

    Electrodeposition; CuInSe2; deposition time; thin films. 1. Introduction. Chalcopyrite, CuInSe2, is considered one of the most im- portant semiconductors that can be used to make low-cost photovoltaic devices. It has high absorption coefficient. (> 105 cm–1) (Kavcar et al 1992; Huang et al 2004), rea- sonable work function ...

  12. Time Alignment as a Necessary Step in the Analysis of Sleep Probabilistic Curves

    Science.gov (United States)

    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.

  13. 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.

  14. Kinetic parameters measuring in a nuclear reactor by means of noise technique in the domain of the time

    International Nuclear Information System (INIS)

    Avila, J.; Ramon, A.

    1986-01-01

    The equations of the point kinetics and the models of neutronic noise in the time domain of Alfa-Rossi, Alfa-Feynman and distribution of time intervals pulse to pulse of Babala are discussed. The limits of the models of the experimental measurement of the kinetic parameters of the reactor are discussed: the decay constant of the prompt neutrons for the subcritical and critical state of the reactor, the asymptotic constant of the relative correlated variance, the reactivity of the reactor for the states in which the decay constant of the prompt neutrons is measured, and the efficiency of the neutron detector. The measurements that can be made with the professional analyzer NSA-1000 on-line with a reactor and a digital computer (Model PC-350-DZ) are also described

  15. Issues in measure-preserving three dimensional flow integrators: Self-adjointness, reversibility, and non-uniform time stepping

    Energy Technology Data Exchange (ETDEWEB)

    Finn, John M., E-mail: finn@lanl.gov [T-5, Applied Mathematics and Plasma Physics, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2015-03-15

    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

  16. NIH and WHI: time for a mea culpa and steps beyond.

    Science.gov (United States)

    Utian, Wulf H

    2007-01-01

    The termination of the estrogen-progestin arm of the Women's Health Initiative (WHI) 5 years ago was abrupt and poorly planned. It has also become manifestly clear that the reporting at that time of the balance of risk and benefit for perimenopausal and early postmenopausal women was grossly exaggerated. Subsequent WHI publications including subanalyses of original data suggest a persistent pattern of over-reading of results toward a negative bias. The initial 2002 conclusion of the WHI investigators that harm was greater than benefit appears to be the result of several factors. One was the failure to recognize that initiation of therapy by decade of age or time since menopause was highly relevant; the WHI committee aggregated all outcome data into one group, even though in their demographic description they had the ability to investigate by age. An overhanging question is, therefore, what did they know, and when did they know it? Another factor was the utilization of a nonvalidated index termed the "global health index" that inexplicably assumed for comparison sake that all diseases were equivalent, for example, that a stroke was equivalent to a hip fracture in morbidity, mortality, and impact on quality of life. Although not a study about menopause, the data were extrapolated to all peri- and postmenopausal women. Despite the overall positive outcome of their results for women aged 50 to 60 years, most particularly those receiving estrogen-only therapy, the WHI investigators have irrationally maintained a defense of their misinterpretations of 2002. It is time for the National Institutes of Health and the WHI investigators to issue a final overall report that is clear and based on their actual results and not their personal interpretations. There is too much relevant and important information within the WHI to allow the overall study to continue to be perceived as biased to the detriment of both the National Institutes of Health and the study itself.

  17. 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.

  18. One-step Real-time Food Quality Analysis by Simultaneous DSC-FTIR Microspectroscopy.

    Science.gov (United States)

    Lin, Shan-Yang; Lin, Chih-Cheng

    2016-01-01

    This review discusses an analytical technique that combines differential scanning calorimetry and Fourier-transform infrared (DSC-FTIR) microspectroscopy, which simulates the accelerated stability test and detects decomposition products simultaneously in real time. We show that the DSC-FTIR technique is a fast, simple and powerful analytical tool with applications in food sciences. This technique has been applied successfully to the simultaneous investigation of: encapsulated squid oil stability; the dehydration and intramolecular condensation of sweetener (aspartame); the dehydration, rehydration and solidification of trehalose; and online monitoring of the Maillard reaction for glucose (Glc)/asparagine (Asn) in the solid state. This technique delivers rapid and appropriate interpretations with food science applications.

  19. Presteady-state and steady-state kinetic properties of human cytochrome c oxidase. Identification of rate-limiting steps in mammalian cytochrome c oxidase

    NARCIS (Netherlands)

    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

  20. Multi-step cure kinetic model of ultra-thin glass fiber epoxy prepreg exhibiting both autocatalytic and diffusion-controlled regimes under isothermal and dynamic-heating conditions

    Science.gov (United States)

    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.

  1. Kinetics of bacterial potentiometric titrations : the effect of equilibration time on buffering capacity of Pantoea agglomerans suspensions

    OpenAIRE

    Kapetas, Leon; Ngwenya, Bryne T.; MacDonald, Alan M.; Elphick, Stephen C.

    2011-01-01

    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 titr...

  2. A kinetic model to simulate the effect of cooking time-temperature on the gastric digestion of meat

    OpenAIRE

    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...

  3. Quantification of joint inflammation in rheumatoid arthritis by time-resolved diffuse optical spectroscopy and tracer kinetic modeling

    Science.gov (United States)

    Ioussoufovitch, Seva; Morrison, Laura B.; Lee, Ting-Yim; St. Lawrence, Keith; Diop, Mamadou

    2015-03-01

    Rheumatoid arthritis (RA) is characterized by chronic synovial inflammation, which can cause progressive joint damage and disability. Diffuse optical spectroscopy (DOS) and imaging have the potential to become potent monitoring tools for RA. We devised a method that combined time-resolved DOS and tracer kinetics modeling to rapidly and reliably quantify blood flow in the joint. Preliminary results obtained from two animals show that the technique can detect joint inflammation as early as 5 days after onset.

  4. Steps Towards an Operational Service Using Near Real-Time Altimeter Data

    Science.gov (United States)

    Ash, E. R.

    2006-07-01

    Thanks largely to modern computing power, numerical forecasts of w inds and waves over the oceans ar e ev er improving, offering greater accuracy and finer resolution in time and sp ace. Howev er, it is recognized that met-ocean models still have difficulty in accurately forecasting sever e w eather conditions, conditions that cause the most damag e and difficulty in mar itime operations. Ther efore a key requir emen t is to provid e improved information on sever e conditions. No individual measur emen t or prediction system is perfect. Offshore buoys provide a continuous long-ter m record of wind and wave conditions, but only at a limited numb er of sites. Satellite data offer all-weath er global cov erage, but with relatively infrequen t samp ling. Forecasts rely on imperf ect numerical schemes and the ab ility to manage a vast quantity of input data. Therefore the best system is one that integr ates information from all available sources, taking advantage of the benef its that each can offer. We report on an initiative supported by the European Space Agen cy (ESA) which investig ated how satellite data could be used to enhan ce systems to provide Near Real Time mon itor ing of met-ocean conditions.

  5. 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.

  6. 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

  7. Time of erythema onset after application of methyl nicotinate ointments as response parameter: influence of penetration kinetics and enhancing agents.

    Science.gov (United States)

    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.

  8. Validity and reliability of a simple 'low-tech' test for measuring choice stepping reaction time in older people.

    Science.gov (United States)

    Delbaere, K; Gschwind, Y J; Sherrington, C; Barraclough, E; Garrués-Irisarri, M A; Lord, S R

    2016-11-01

    To establish the psychometric properties of a simple 'low-tech' choice stepping reaction time test (CSRT-M) by investigating its validity and test-retest reliability. Cross-sectional. Community. A total of 169 older people from the control arm of a clinical trial and a convenience sample of 30 older people. Demographic, physical, cognitive and prospective falls data were collected in addition to CSRT-M. The CSRT-M time was taken as the total time to complete 20 steps onto four targets printed on a portable rubber mat. Assessment of the original electronic version (CSRT-E) and re-administration of the CSRT-M the next day was done in 30 participants. Multivariate regression analysis showed that the CSRT-M time was best explained by leaning balance control, quadriceps strength and cognitive functioning (R 2  = 0.44). Performance on the CSRT-M was worse in older participants and participants with a presence of fall risk factors, supporting good discriminant validity. The odds of suffering multiple future falls increased by 74% (odds ratio (OR) = 1.74, 95% CI (confidence interval) = 1.14-2.65, p = 0.010) for each standard deviation increase in CSRT-M, supporting good predictive validity. Criterion validity was confirmed by a strong bivariate correlation between CSRT-M and CSRT-E (0.81, p Test-retest reliability for the CSRT-M was good (intraclass correlation coefficient = 0.74, 95% CI = 0.45-0.88, p test of unplanned volitional stepping (CSRT-M) has excellent predictive validity for future falls, good inter-day test-retest reliability and excellent criterion validity with respect to the well-validated CSRT-E. The CSRT-M, therefore, may be a useful fall risk screening tool for older people.

  9. Effect of increased exposure times on amount of residual monomer released from single-step self-etch adhesives.

    Science.gov (United States)

    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.

  10. The next step in real time data processing for large scale physics experiments

    CERN Document Server

    Paramesvaran, Sudarshan

    2016-01-01

    Run 2 of the LHC represents one of the most challenging scientific environments for real time data analysis and processing. The steady increase in instantaneous luminosity will result in the CMS detector producing around 150 TB/s of data, only a small fraction of which is useful for interesting Physics studies. During 2015 the CMS collaboration will be completing a total upgrade of its Level 1 Trigger to deal with these conditions. In this talk a description of the major components of this complex system will be described. This will include a discussion of custom-designed electronic processing boards, built to the uTCA specification with AMC cards based on Xilinx 7 FPGAs and a network of high-speed optical links. In addition, novel algorithms will be described which deliver excellent performance in FPGAs and are combined with highly stable software frameworks to ensure a minimal risk of downtime. This upgrade is planned to take data from 2016. However a system of parallel running has been developed that will ...

  11. In the time of significant generational diversity - surgical leadership must step up!

    Science.gov (United States)

    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.

  12. 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)

  13. Short time step continuous rainfall modeling and simulation of extreme events

    Science.gov (United States)

    Callau Poduje, A. C.; Haberlandt, U.

    2017-09-01

    The design, planning, operation and overall assessment of urban drainage systems require long and continuous rain series in a high temporal resolution. Unfortunately, the availability of this data is usually short. Nevertheless a precipitation model could be used to tackle this shortcoming; therefore it is in the aim of this study to present a stochastic point precipitation model to reproduce average rainfall event properties along with extreme values. For this purpose a model is proposed to generate long synthetic series of rainfall for a temporal resolution of 5 min. It is based on an alternating renewal framework and events are characterized by variables describing durations, amounts and peaks. A group of 24 stations located in the north of Germany is used to set up and test the model. The adequate modeling of joint behaviour of rainfall amount and duration is found to be essential for reproducing the observed properties, especially for the extreme events. Copulas are advantageous tools for modeling these variables jointly; however caution must be taken in the selection of the proper copula. The inclusion of seasonality and small events is as well tested and found to be useful. The model is directly validated by generating long synthetic time series and comparing them with observed ones. An indirect validation is as well performed based on a fictional urban hydrological system. The proposed model is capable of reproducing seasonal behaviour and main characteristics of the rainfall events including extremes along with urban flooding and overflow behaviour. Overall the performance of the model is acceptable compared to the design practice. The proposed model is simple to interpret, fast to implement and to transfer to other regions, whilst showing acceptable results.

  14. Gas flushing through hyper-acidic crater lakes: the next steps within a reframed monitoring time window

    Science.gov (United States)

    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

  15. Detection of Listeria monocytogenes in ready-to-eat food by Step One real-time polymerase chain reaction.

    Science.gov (United States)

    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.

  16. Study of pulsed-current loading of direct methanol fuel cells using a new time-domain model based on bi-functional methanol oxidation kinetics

    Science.gov (United States)

    Vilar, Eric; Dougal, R. A.

    This work describes a non-linear time-domain model of a direct methanol fuel cell (DMFC) and uses that model to show that pulsed-current loading of a direct methanol fuel cell does not improve average efficiency. Unlike previous system level models, the one presented here is capable of predicting the step response of the fuel cell over its entire voltage range. This improved model is based on bi-functional methanol oxidation reaction kinetics and is derived from a lumped, four-step reaction mechanism. In total, six states are incorporated into the model: three states for intermediate surface adsorbates on the anode electrode, two states for the anode and cathode potentials, and one state for the liquid methanol concentration in the anode compartment. Model parameters were identified using experimental data from a real DMFC. The model was applied to study the steady-state and transient performance of a DMFC with the objective to understand the possibility of improving the efficiency of the DMFC by using periodic current pulses to drive adsorbed CO from the anode catalyst. Our results indicate that the pulsed-current method does indeed boost the average potential of the DMFC by 40 mV; but on the other hand, executing that strategy reduces the overall operating efficiency and does not yield any net benefit.

  17. Fast Determination of Distribution-Connected PV Impacts Using a Variable Time-Step Quasi-Static Time-Series Approach: Preprint

    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.

  18. a Time-Resolved X-Ray Scattering Study of the Ordering Kinetics in COPPER(3)-GOLD

    Science.gov (United States)

    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.

  19. Simulation of light generation in cholesteric liquid crystals using kinetic equations: Time-independent solution

    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.

  20. Nucleoside uptake in macrophages from various murine strains: a short-time and a two-step stimulation model

    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

  1. A simple test of choice stepping reaction time for assessing fall risk in people with multiple sclerosis.

    Science.gov (United States)

    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.

  2. Calibration and Evaluation of Different Estimation Models of Daily Solar Radiation in Seasonally and Annual Time Steps in Shiraz Region

    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

  3. 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.

  4. Time-resolved small angle neutron scattering measurements of asphaltene nanoparticle aggregation kinetics in incompatible crude oil mixtures

    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

  5. Use of kinetic plots for the optimization of the separation time in ultra-high-pressure LC.

    Science.gov (United States)

    Eeltink, Sebastiaan; Decrop, Wim M C; Steiner, Frank; Ursem, Mario; Cabooter, Deirdre; Desmet, Gert; Kok, Wim Th

    2010-09-01

    The kinetic-plot approach, in which experimental t(0) and N-values are extrapolated to the performance at maximum system pressure by increasing the column length, was validated by coupling 250×3 mm columns packed with 3 μm particles. The extra-column volume introduced by coupling columns could be neglected with respect to the peak volumes. Plate numbers of up to 132,000 were experimentally achieved by coupling four columns. The maximum deviation between the experimental and predicted plate numbers was 7% for two coupled columns, and decreasing to 0.1% for four coupled columns. Kinetic plots were used to find the conditions to separate a critical pair, with a preset value for the effective plate number, in the shortest possible time. For high-efficiency separations yielding 100,000 effective plates, the optimum critical-pair retention factor was around 4.5. Kinetic plots are presented to find the optimal column length to obtain the fastest possible 100,000 effective-plate separation, taking into account the effect of mobile-phase viscosity on column pressure, and consequently the optimum column length.

  6. Folding kinetics of the S100A11 protein dimer studied by time-resolved electrospray mass spectrometry and pulsed hydrogen-deuterium exchange.

    Science.gov (United States)

    Pan, Jingxi; Rintala-Dempsey, Anne C; Li, Yu; Shaw, Gary S; Konermann, Lars

    2006-03-07

    This study reports the application of electrospray ionization (ESI) mass spectrometry (MS) with on-line rapid mixing for millisecond time-resolved studies of the refolding and assembly of a dimeric protein complex. Acid denaturation of S100A11 disrupts the native homodimeric protein structure. Circular dichroism and HSQC nuclear magnetic resonance measurements reveal that the monomeric subunits unfold to a moderate degree but retain a significant helicity and some tertiary structural elements. Following a rapid change in solution conditions to a slightly basic pH, the native protein reassembles with an effective rate constant of 6 s(-)(1). The ESI charge state distributions measured during the reaction suggest the presence of three kinetic species, namely, a relatively unfolded monomer (M(U)), a more tightly folded monomeric reaction intermediate (M(F)), and dimeric S100A11. These three forms exhibit distinct calcium binding properties, with very low metal loading levels for M(U), up to two calcium ions for M(F), and up to four for the dimer. Surprisingly, on-line pulsed hydrogen-deuterium exchange (HDX) reveals that each of the monomeric forms of the protein comprises two subspecies that can be distinguished on the basis of their isotope exchange levels. As the reaction proceeds, the more extensively labeled species are depleted. The exponential nature of the measured intensity-time profiles implies that the rate-determining step of the overall process is a unimolecular event. The kinetics are consistent with a sequential folding and assembly mechanism involving two increasingly nativelike monomeric intermediates en route to the native S100A11 dimer.

  7. Determination of the isotopic abundance of iron and nickel with two-step laser time-of-flight mass spectrometry

    International Nuclear Information System (INIS)

    Zhou Mingfei; Qin Qizong

    1996-01-01

    Two-step laser time-of-flight mass spectrometry is established to measure the isotopic abundance of iron and nickel. A pulsed Nd:YAG laser (532 nm) is used to evaporate iron and nickel atoms from a Meral alloy sample. These atoms are ionized by a Nd:YAG pumped pulsed dye laser at 300.7 nm and 303.4 nm via resonance ionization and subsequently detected by time-of-flight mass spectrometry. Arrival time distributions are obtained by varying the time delay between evaporation laser and ionization laser. Overlap of the pulsed atomic beam and the ionization laser beam is excellent with about 1% effective duty cycle, then the sensitivity of isotopic detection will be increased substantially using resonance ionization time-of-flight mass spectrometry. A one color two-photon (1 + 1) ionization scheme is employed for Fe and Ni atoms. The results show that all the measured isotopic abundances of Fe and Ni are in agreement with values published in the literature

  8. Mass transfer with complex chemical reactions in gas-liquid systems: two-step reversible reactions with unit stoichiometric and kinetic orders

    NARCIS (Netherlands)

    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

  9. Mass transfer with complex chemical reactions in gas–liquid systems : two-step reversible reactions with unit stoichiometric and kinetic orders

    NARCIS (Netherlands)

    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

  10. Sustained virological response with intravenous silibinin: individualized IFN-free therapy via real-time modelling of HCV kinetics.

    Science.gov (United States)

    Dahari, Harel; Shteingart, Shimon; Gafanovich, Inna; Cotler, Scott J; D'Amato, Massimo; Pohl, Ralf T; Weiss, Gali; Ashkenazi, Yaakov J; Tichler, Thomas; Goldin, Eran; Lurie, Yoav

    2015-02-01

    Intravenous silibinin (SIL) is a potent antiviral agent against hepatitis C virus (HCV) genotype-1. In this proof of concept case-study we tested: (i) whether interferon-alfa (IFN)-free treatment with SIL plus ribavirin (RBV) can achieve sustained virological response (SVR); (ii) whether SIL is safe and feasible for prolonged duration of treatment and (iii) whether mathematical modelling of early on-treatment HCV kinetics can guide duration of therapy to achieve SVR. A 44 year-old female HCV-(genotype-1)-infected patient who developed severe psychiatric adverse events to a previous course of pegIFN+RBV, initiated combination treatment with 1200 mg/day of SIL, 1200 mg/day of RBV and 6000 u/day vitamin D. Blood samples were collected frequently till week 4, thereafter every 1-12 weeks until the end of therapy. The standard biphasic mathematical model with time-varying SIL effectiveness was used to predict the duration of therapy to achieve SVR. Based on modelling the observed viral kinetics during the first 3 weeks of treatment, SVR was predicted to be achieved within 34 weeks of therapy. Provided with this information, the patient agreed to complete 34 weeks of treatment. IFN-free treatment with SIL+RBV was feasible, safe and achieved SVR (week-33). We report, for the first time, the use of real-time mathematical modelling of HCV kinetics to individualize duration of IFN-free therapy and to empower a patient to participate in shared decision making regarding length of treatment. SIL-based individualized therapy provides a treatment option for patients who do not respond to or cannot receive other HCV agents and should be further validated. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  11. Long-Time Plasma Membrane Imaging Based on a Two-Step Synergistic Cell Surface Modification Strategy.

    Science.gov (United States)

    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.

  12. High Time-Resolved Kinetic Temperatures of Solar Wind Minor Ions Measured with SOHO/CELIAS/CTOF

    Science.gov (United States)

    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.

  13. Degradation kinetics of polymers in solution: Time-dependence of molecular weight distributions. [Quarterly report, January--March 1996

    Energy Technology Data Exchange (ETDEWEB)

    McCoy, B.J.; Madras, G.

    1996-02-27

    Polymer degradation occurs when polymer chains are broken under the influence of thermal, mechanical, or chemical energy. Chain-end depolymerization and random- and midpoint-chain scission are mechanisms that have been observed in liquid-phase polymer degradation. Here we develop mathematical models, unified by continuous-mixture kinetics, to show how these different mechanisms affect polymer degradation in solution. Rate expressions for the fragmentation of molecular-weight distributions (MWDs) govern the evolution of the MWDs. The governing integro-differential equations can be solved analytically for realistic conditions. Moment analysis for first-order continuous kinetics shows the temporal behavior of MWDs. Chain-end depolymerization yields monomer product and polymer molecular-weight moments that vary linearly with time. In contrast, random- and midpoint-chain scission models display exponential time behavior. The mathematical results reasonably portray experimental observations for polymer degradation. This approach, based on the time evolution of continuous distributions of chain length or molecular weight, provides a framework for interpreting several types of polymer degradation processes.

  14. Integration of FULLSWOF2D and PeanoClaw: Adaptivity and Local Time-Stepping for Complex Overland Flows

    KAUST Repository

    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.

  15. Objective assessment of physical activity and sedentary behaviour in knee osteoarthritis patients - beyond daily steps and total sedentary time.

    Science.gov (United States)

    Sliepen, Maik; Mauricio, Elsa; Lipperts, Matthijs; Grimm, Bernd; Rosenbaum, Dieter

    2018-02-23

    Knee osteoarthritis patients may become physically inactive due to pain and functional limitations. Whether physical activity exerts a protective or harmful effect depends on the frequency, intensity, time and type (F.I.T.T.). The F.I.T.T. dimensions should therefore be assessed during daily life, which so far has hardly been feasible. Furthermore, physical activity should be assessed within subgroups of patients, as they might experience different activity limitations. Therefore, this study aimed to objectively describe physical activity, by assessing the F.I.T.T. dimensions, and sedentary behaviour of knee osteoarthritis patients during daily life. An additional goal was to determine whether activity events, based on different types and durations of physical activity, were able to discriminate between subgroups of KOA patients based on risk factors. Clinically diagnosed knee osteoarthritis patients (according to American College of Rheumatology criteria) were monitored for 1 week with a tri-axial accelerometer. Furthermore, they performed three functional tests and completed the Knee Osteoarthritis Outcome Score. Physical activity levels were described for knee osteoarthritis patients and compared between subgroups. Sixty-one patients performed 7303 mean level steps, 319 ascending and 312 descending steps and 601 bicycle crank revolutions per day. Most waking hours were spent sedentary (61%), with 4.6 bouts of long duration (> 30 min). Specific events, particularly ascending and descending stairs/slopes, brief walking and sedentary bouts and prolonged walking bouts, varied between subgroups. From this sample of KOA patients, the most common form of activity was level walking, although cycling and stair climbing activities occurred frequently, highlighting the relevance of distinguishing between these types of PA. The total active time encompassed a small portion of their waking hours, as they spent most of their time sedentary, which was exacerbated by

  16. Sustained virological response with intravenous silibinin: individualized IFN-free therapy via real-time modeling of HCV kinetics

    Science.gov (United States)

    Dahari, Harel; Shteingart, Shimon; Gafanovich, Inna; Cotler, Scott J.; D'Amato, Massimo; Pohl, Ralf T.; Weiss, Gali; Ashkenazi, Yaakov Jack; Tichler, Thomas; Goldin, Eran; Lurie, Yoav

    2014-01-01

    Background & Aims Intravenous silibinin (SIL) is a potent antiviral agent against hepatitis C virus (HCV) genotype-1. In this proof of concept case-study we tested: (i) whether interferon-alfa (IFN)-free treatment with SIL plus ribavirin (RBV) can achieve sustained virological response (SVR), (ii) whether SIL is safe and feasible for prolonged duration of treatment, and (iii) whether mathematical modeling of early on-treatment HCV kinetics can guide duration of therapy to achieve SVR. Methods A 44 year-old female HCV-(genotype-1)-infected patient who developed severe psychiatric adverse events to a previous course of pegIFN+RBV, initiated combination treatment with 1200 mg/day of SIL, 1200 mg/day of RBV and 6000 u/day vitamin D. Blood samples were collected frequently till week 4, thereafter every 1 to 12 weeks until the end of therapy. The standard-biphasic-mathematical model was used to predict the duration of therapy to achieve SVR. Results Based on modeling the observed viral kinetics during the first 3 weeks of treatment, SVR was predicted to be achieved within 34 weeks of therapy. Provided with this information, the patient agreed to complete 34 weeks of treatment. IFN-free treatment with SIL+RBV was feasible, safe, and achieved SVR (week-33). Conclusions We report, for the first time, the use of real-time mathematical modeling of HCV kinetics to individualize duration of IFN-free therapy and to empower a patient to participate in shared decision making regarding length of treatment. SIL-based individualized therapy provides a treatment option for patients who do not respond to or cannot receive other HCV agents and should be further validated. PMID:25251042

  17. SVD-aided pseudo principal-component analysis: A new method to speed up and improve determination of the optimum kinetic model from time-resolved data

    Energy Technology Data Exchange (ETDEWEB)

    Oang, Key Young; Yang, Cheolhee; Muniyappan, Srinivasan; Kim, Jeongho; Ihee, Hyotcherl

    2017-07-01

    Determination of the optimum kinetic model is an essential prerequisite for characterizing dynamics and mechanism of a reaction. Here, we propose a simple method, termed as singular value decomposition-aided pseudo principal-component analysis (SAPPA), to facilitate determination of the optimum kinetic model from time-resolved data by bypassing any need to examine candidate kinetic models. We demonstrate the wide applicability of SAPPA by examining three different sets of experimental time-resolved data and show that SAPPA can efficiently determine the optimum kinetic model. In addition, the results of SAPPA for both time-resolved X-ray solution scattering (TRXSS) and transient absorption (TA) data of the same protein reveal that global structural changes of protein, which is probed by TRXSS, may occur more slowly than local structural changes around the chromophore, which is probed by TA spectroscopy.

  18. 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)

  19. Timing paradox of stepping and falls in ageing: not so quick and quick(er) on the trigger.

    Science.gov (United States)

    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.

  20. The analogue method for precipitation prediction: finding better analogue situations at a sub-daily time step

    Science.gov (United States)

    Horton, Pascal; Obled, Charles; Jaboyedoff, Michel

    2017-07-01

    Analogue methods (AMs) predict local weather variables (predictands) such as precipitation by means of a statistical relationship with predictors at a synoptic scale. The analogy is generally assessed on gradients of geopotential heights first to sample days with a similar atmospheric circulation. Other predictors such as moisture variables can also be added in a successive level of analogy. The search for candidate situations similar to a given target day is usually undertaken by comparing the state of the atmosphere at fixed hours of the day for both the target day and the candidate analogues. This is a consequence of using standard daily precipitation time series, which are available over longer periods than sub-daily data. However, it is unlikely for the best analogy to occur at the exact same hour for the target and candidate situations. A better analogue situation may be found with a time shift of several hours since a better fit can occur at different times of the day. In order to assess the potential for finding better analogues at a different hour, a moving time window (MTW) has been introduced. The MTW resulted in a better analogy in terms of the atmospheric circulation and showed improved values of the analogy criterion on the entire distribution of the extracted analogue dates. The improvement was found to increase with the analogue rank due to an accumulation of better analogues in the selection. A seasonal effect has also been identified, with larger improvements shown in winter than in summer. This may be attributed to stronger diurnal cycles in summer that favour predictors taken at the same hour for the target and analogue days. The impact of the MTW on the precipitation prediction skill has been assessed by means of a sub-daily precipitation series transformed into moving 24 h totals at 12, 6, and 3 h time steps. The prediction skill was improved by the MTW, as was the reliability of the prediction. Moreover, the improvements were greater for days

  1. Conjugation effects on antibody-drug conjugates: evaluation of interaction kinetics in real time on living cells.

    Science.gov (United States)

    Bondza, Sina; Stenberg, Jonas; Nestor, Marika; Andersson, Karl; Björkelund, Hanna

    2014-11-03

    Antibody-drug conjugates (ADC) have shown promising effects in cancer therapy by combining the target specificity of an antibody with the toxicity of a chemotherapeutic drug. As the number of therapeutic antibodies is significantly larger than those used as ADCs, there is unused potential for more effective therapies. However, the conjugation of an additional molecule to an antibody may affect the interaction with its target, altering association rate, dissociation rate, or both. Any changes of the binding kinetics can have subsequent effects on the efficacy of the ADCs, thus the kinetics are important to monitor during ADC development and production. This paper describes a method for the analysis of conjugation effects on antibody binding to its antigen, using the instrument LigandTracer and a fluorescent monovalent anti-IgG binder denoted FIBA, which did not affect the interaction. All measurements were done in real time using living cells which naturally expressed the antigens. With this method the binding profiles of different conjugations of the therapeutic anti-EGFR antibody cetuximab and the anti-CD44v6 antibody fragment AbD15171 were evaluated and compared. Even comparatively small modifications of cetuximab altered the interaction with the epidermal growth factor receptor (EGFR). In contrast, no impact on the AbD15171-CD44v6 interaction was observed upon conjugation. This illustrates the importance to study the binding profile for each ADC combination, as it is difficult to draw any general conclusion about conjugation effects. The modification of interaction kinetics through conjugation opens up new possibilities when optimizing an antibody or an ADC, since the conjugations can be used to create a binding profile more apt for a specific clinical need.

  2. Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids.

    Science.gov (United States)

    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.

  3. 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

  4. Novel approaches to estimating the turbulent kinetic energy dissipation rate from low- and moderate-resolution velocity fluctuation time series

    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.

  5. Novel approaches to estimating the turbulent kinetic energy dissipation rate from low- and moderate-resolution velocity fluctuation time series

    Science.gov (United States)

    Wacławczyk, Marta; Ma, Yong-Feng; Kopeć, Jacek M.; Malinowski, Szymon P.

    2017-11-01

    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.

  6. 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...

  7. Quantitative one-step real-time RT-PCR for the fast detection of the four genotypes of PPRV.

    Science.gov (United States)

    Kwiatek, Olivier; Keita, Djénéba; Gil, Patricia; Fernández-Pinero, Jovita; Jimenez Clavero, Miguel Angel; Albina, Emmanuel; Libeau, Genevieve

    2010-05-01

    A one-step real-time Taqman RT-PCR assay (RRT-PCR) for peste des petits ruminants virus (PPRV) was developed to detect the four lineages of PPRV by targeting the nucleoprotein (N) gene of the virus. This new assay was compared to a conventional RT-PCR on reference strains and field materials. Quantitation was performed against a standard based on a synthetic transcript of the NPPR gene for which a minimum of 32 copies per reaction were detected with a corresponding C(t) value of 39. Depending on the lineage involved, the detection limit of RRT-PCR was decreased by one to three log copies relative to the conventional method. The lower stringency occurred with lineage III because of minor nucleotide mismatches within the probe region. The assay did not detect phylogenetically or symptomatically related viruses of ruminants (such as rinderpest, bluetongue, and bovine viral diarrhea viruses). However, it was capable of detecting 20% more positive field samples with low viral RNA loads compared to the conventional PCR method. When compared on a proficiency panel to the method developed by Bao et al. (2008), the sensitivity of the in-house assay was slightly improved on lineage II. It proved significantly faster to perform and hence better adapted for monitoring large numbers of at risk or diseased animals. Copyright 2010 Elsevier B.V. All rights reserved.

  8. A two-step real-time PCR assay for quantitation and genotyping of human parvovirus 4.

    Science.gov (United States)

    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.

  9. Potentials and Limitations of Real-Time Elastography for Prostate Cancer Detection: A Whole-Mount Step Section Analysis

    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.

  10. Identification of Dobrava, Hantaan, Seoul, and Puumala viruses by one-step real-time RT-PCR.

    Science.gov (United States)

    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.

  11. Periodic protein adsorption at the gold/biotin aqueous solution interface: evidence of kinetics with time delay

    Science.gov (United States)

    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.

  12. An in vitro evaluation of effect of eugenol exposure time on the shear bond strength of two-step and one-step self-etching adhesives to dentin.

    Science.gov (United States)

    Nasreen, Farhat; Guptha, Anila Bandlapalli Sreenivasa; Srinivasan, Raghu; Chandrappa, Mahesh Martur; Bhandary, Shreetha; Junjanna, Pramod

    2014-05-01

    To evaluate the effect of the eugenol exposure time of an eugenol-based provisional restorative material on the shear bond strength of two-step and one-step self-etching adhesives to dentin, at three different time intervals of 24 h, 7 days, and 14 days. Forty extracted human posterior teeth were sectioned mesiodistally to obtain two halves and the resulting 80 halves were randomly assigned into four groups of 20 specimens each (Group-I, -II, -III, and -IV). Cavities of specified dimensions were prepared to expose dentin surface. In Group-I, temporarization was carried out with noneugenol cement (Orafil-G) for 24 h (control group). In Group-II, -III, and -IV, temporarization was carried out with eugenol cement (intermediate restorative material (IRM)) for 24 h, 7 days, and 14 days, respectively. Each group was further divided into two subgroups of 10 teeth each for two-step (Adper SE Plus) and one-step (Adper Easy One) self-etch adhesive systems, respectively. A plastic tube loaded with microhybrid composite resin (Filtek Z-350, 3M) was placed over the dentin surface and light cured. The specimens were subjected to shear stress in universal testing machine. Group-II yielded low shear bond strength values compared with Group-III, -IV, and Group-I, which was statistically significant. The prior use of eugenol containing temporary restorative material reduced the bond strength of self-etch adhesive systems at 24-h period. No reduction in bond strength at 7 or 14 days exposure was observed with either two-step or one-step self-etch adhesive.

  13. Kinetic bridges.

    Science.gov (United States)

    1980-01-01

    This report on kinetic bridges is essentially a state-of-the-art study on two types of bridges whose location or physical characteristics are designed to be time dependent. The first type, called a "relocatable bridge", is essentially for use as a te...

  14. Analyses of kinetic glass transition in short-range attractive colloids based on time-convolutionless mode-coupling theory.

    Science.gov (United States)

    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.

  15. 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...... rate constants with a memory kernel. This approach results in a time-dependent bleach rate coefficient and is exemplified for fluorescent sterols in restricted intracellular environments, like lipid droplets. We show that for small deviations from the classical exponential bleaching, the TiEm of decay...

  16. Stepping motor controller

    Science.gov (United States)

    Bourret, Steven C.; Swansen, James E.

    1984-01-01

    A stepping motor is microprocessingly controlled by digital circuitry which monitors the output of a shaft encoder adjustably secured to the stepping motor and generates a subsequent stepping pulse only after the preceding step has occurred and a fixed delay has expired. The fixed delay is variable on a real-time basis to provide for smooth and controlled deceleration.

  17. A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics

    Science.gov (United States)

    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.

  18. Multi-step constant-current charging method for electric vehicle, valve-regulated, lead/acid batteries during night time for load-levelling

    Energy Technology Data Exchange (ETDEWEB)

    Ikeya, Tomohiko; Mita, Yuichi; Ishihara, Kaoru [Central Research Inst. of Electric Power Industry, Tokyo (Japan); Sawada, Nobuyuki [Hokkaido Electric Power, Sapporo (Japan); Takagi, Sakae; Murakami, Jun-ichi [Tohoku Electric Power, Sendai (Japan); Kobayashi, Kazuyuki [Tokyo Electric Power, Yokohama (Japan); Sakabe, Tetsuya [Chubu Electric Power, Nagoya (Japan); Kousaka, Eiichi [Hokuriku Electric Power, Toyama (Japan); Yoshioka, Haruki [The Kansai Electric Power, Osaka (Japan); Kato, Satoru [The Chugoku Electric Power, Hiroshima (Japan); Yamashita, Masanori [Shikoku Research Inst., Takamatsu (Japan); Narisoko, Hayato [The Okinawa Electric Power, Naha (Japan); Nishiyama, Kazuo [The Central Electric Power Council, Tokyo (Japan); Adachi, Kazuyuki [Kyushu Electric Power, Fukuoka (Japan)

    1998-09-01

    For the popularization of electric vehicles (EVs), the conditions for charging EV batteries with available current patterns should allow complete charging in a short time, i.e., less than 5 to 8 h. Therefore, in this study, a new charging condition is investigated for the EV valve-regulated lead/acid battery system, which should allow complete charging of EV battery systems with multi-step constant currents in a much shorter time with longer cycle life and higher energy efficiency compared with two-step constant-current charging. Although a high magnitude of the first current in the two-step constant-current method prolongs cycle life by suppressing the softening of positive active material, too large a charging current magnitude degrades cells due to excess internal evolution of heat. A charging current magnitude of approximately 0.5 C is expected to prolong cycle life further. Three-step charging could also increase the magnitude of charging current in the first step without shortening cycle life. Four-or six-step constant-current methods could shorten the charging time to less than 5 h, as well as yield higher energy efficiency and enhanced cycle life of over 400 cycles compared with two-step charging with the first step current of 0.5 C. Investigation of the degradation mechanism of the batteries revealed that the conditions of multi-step constant-current charging suppressed softening of positive active material and sulfation of negative active material, but, unfortunately, advanced the corrosion of the grids in the positive plates. By adopting improved grids and cooling of the battery system, the multistep constant-current method may enhance the cycle life. (orig.)

  19. 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.

  20. Next Step for STEP

    Energy Technology Data Exchange (ETDEWEB)

    Wood, Claire [CTSI; Bremner, Brenda [CTSI

    2013-08-09

    The Siletz Tribal Energy Program (STEP), housed in the Tribe’s Planning Department, will hire a data entry coordinator to collect, enter, analyze and store all the current and future energy efficiency and renewable energy data pertaining to administrative structures the tribe owns and operates and for homes in which tribal members live. The proposed data entry coordinator will conduct an energy options analysis in collaboration with the rest of the Siletz Tribal Energy Program and Planning Department staff. An energy options analysis will result in a thorough understanding of tribal energy resources and consumption, if energy efficiency and conservation measures being implemented are having the desired effect, analysis of tribal energy loads (current and future energy consumption), and evaluation of local and commercial energy supply options. A literature search will also be conducted. In order to educate additional tribal members about renewable energy, we will send four tribal members to be trained to install and maintain solar panels, solar hot water heaters, wind turbines and/or micro-hydro.

  1. Kinetic behaviours of aggregate growth driven by time-dependent migration, birth and death

    Science.gov (United States)

    Zhu, Sheng-Qing; Yang, Shun-You; Ke, Jianhong; Lin, Zhenquan

    2008-12-01

    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 ig1(t) and ig2(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 ∫t0g1(t') dt'/∫t0g2(t') dt' >= 1 or exp{∫t0[g2(t') - g1(t')] dt'}/∫t0f(t') dt' → 0, the aggregate size distribution ak(t) can obey a generalized scaling form; (ii) if ∫t0g1(t') dt'/∫t0g2(t') dt' → 0 and exp ∫t0[g2(t') - g1(t') dt'/∫t0f(t') dt' → ∞, ak(t) can take a scale-free form and decay exponentially in size k; (iii) ak(t) will satisfy a modified scaling law in the remaining cases. Moreover, the total mass of aggregates depends strongly on the net birth rate g1(t) - g2(t) and evolves exponentially as exp{∫t0[g1(t') - g2(t')] dt'}, which is in qualitative agreement with the evolution of the total population of a country in real world.

  2. Ebola virus and severe acute respiratory syndrome coronavirus display late cell entry kinetics: evidence that transport to NPC1+ endolysosomes is a rate-defining step.

    Science.gov (United States)

    Mingo, Rebecca M; Simmons, James A; Shoemaker, Charles J; Nelson, Elizabeth A; Schornberg, Kathryn L; D'Souza, Ryan S; Casanova, James E; White, Judith M

    2015-03-01

    Ebola virus (EBOV) causes hemorrhagic fevers with high mortality rates. During cellular entry, the virus is internalized by macropinocytosis and trafficked through endosomes until fusion between the viral and an endosomal membrane is triggered, releasing the RNA genome into the cytoplasm. We found that while macropinocytotic uptake of filamentous EBOV viruslike particles (VLPs) expressing the EBOV glycoprotein (GP) occurs relatively quickly, VLPs only begin to enter the cytoplasm after a 30-min lag, considerably later than particles bearing the influenza hemagglutinin or GP from lymphocytic choriomeningitis virus, which enter through late endosomes (LE). For EBOV, the long lag is not due to the large size or unusual shape of EBOV filaments, the need to prime EBOV GP to the 19-kDa receptor-binding species, or a need for unusually low endosomal pH. In contrast, since we observed that EBOV entry occurs upon arrival in Niemann-Pick C1 (NPC1)-positive endolysosomes (LE/Lys), we propose that trafficking to LE/Lys is a key rate-defining step. Additional experiments revealed, unexpectedly, that severe acute respiratory syndrome (SARS) S-mediated entry also begins only after a 30-min lag. Furthermore, although SARS does not require NPC1 for entry, SARS entry also begins after colocalization with NPC1. Since the only endosomal requirement for SARS entry is cathepsin L activity, we tested and provide evidence that NPC1(+) LE/Lys have higher cathepsin L activity than LE, with no detectable activity in earlier endosomes. Our findings suggest that both EBOV and SARS traffic deep into the endocytic pathway for entry and that they do so to access higher cathepsin activity. Ebola virus is a hemorrhagic fever virus that causes high fatality rates when it spreads from zoonotic vectors into the human population. Infection by severe acute respiratory syndrome coronavirus (SARS-CoV) causes severe respiratory distress in infected patients. A devastating outbreak of EBOV occurred in West

  3. HCV kinetic and modeling analyses indicate similar time to cure among sofosbuvir combination regimens with daclatasvir, simeprevir or ledipasvir.

    Science.gov (United States)

    Dahari, Harel; Canini, Laetitia; Graw, Frederik; Uprichard, Susan L; Araújo, Evaldo S A; Penaranda, Guillaume; Coquet, Emilie; Chiche, Laurent; Riso, Aurelie; Renou, Christophe; Bourliere, Marc; Cotler, Scott J; Halfon, Philippe

    2016-06-01

    Recent clinical trials of direct-acting-antiviral agents (DAAs) against hepatitis C virus (HCV) achieved >90% sustained virological response (SVR) rates, suggesting that cure often took place before the end of treatment (EOT). We sought to evaluate retrospectively whether early response kinetics can provide the basis to individualize therapy to achieve optimal results while reducing duration and cost. 58 chronic HCV patients were treated with 12-week sofosbuvir+simeprevir (n=19), sofosbuvir+daclatasvir (n=19), or sofosbuvir+ledipasvir in three French referral centers. HCV was measured at baseline, day 2, every other week, EOT and 12weeks post EOT. Mathematical modeling was used to predict the time to cure, i.e., <1 virus copy in the entire extracellular body fluid. All but one patient who relapsed achieved SVR. Mean age was 60±11years, 53% were male, 86% HCV genotype-1, 9% HIV coinfected, 43% advanced fibrosis (F3), and 57% had cirrhosis. At weeks 2, 4 and 6, 48%, 88% and 100% of patients had HCV<15IU/ml, with 27%, 74% and 91% of observations having target not detected, respectively. Modeling results predicted that 23 (43%), 16 (30%), 7 (13%), 5 (9%) and 3 (5%) subjects were predicted to reach cure within 6, 8, 10, 12 and 13weeks of therapy, respectively. The modeling suggested that the patient who relapsed would have benefitted from an additional week of sofosbuvir+ledipasvir. Adjusting duration of treatment according to the modeling predicts reduced medication costs of 43-45% and 17-30% in subjects who had HCV<15IU/ml at weeks 2 and 4, respectively. The use of early viral kinetic analysis has the potential to individualize duration of DAA therapy with a projected average cost saving of 16-20% per 100-treated persons. Copyright © 2016 European Association for the Study of the Liver. Published by Elsevier B.V. All rights reserved.

  4. Uptake of phosphorus from surfactant solutions by wheat leaves: spreading kinetics, wetted area, and drying time.

    Science.gov (United States)

    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.

  5. Canadian children's and youth's pedometer-determined steps/day, parent-reported TV watching time, and overweight/obesity: The CANPLAY Surveillance Study

    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.

  6. Multidimensional space--time nuclear reactor kinetics studies. III. Three-dimensional experiments

    International Nuclear Information System (INIS)

    Winn, W.G.; Parks, P.B.; Baumann, N.P.; Jewell, C.E.

    1978-01-01

    Unsymmetric perturbations were introduced into the core of a large, critical, heavy-water-moderated, multiregional reactor. The resulting three-dimensional changes in flux level and shape with time were measured. Perturbations included: (1) free-fall insertion of rods near the reactor center with each rod containing 235 U slugs in the bottom half and lithium slugs in the top half, (2) free-fall insertion of rods into an off-center radial position with each rod containing 235 U slugs in the bottom half and aluminum in the top half, and (3) withdrawal of cadmium control rods from the central 20% of the reactor core. Flux tilts calculated with the TRIMHX code were within 5% of measured flux tilts. TRIMHX provides a three-dimensional (hex-z geometry) solution of the few-group neutron diffusion and delayed precursor equations without feedback. Inputs to the calculations are available in sufficient detail to allow other methods of solution to be tested

  7. Kinetic Temperature and Carbon Dioxide from Broadband Infrared Limb Emission Measurements Taken from the TIMED/SABER Instrument

    Science.gov (United States)

    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.; hide

    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.

  8. Factors affecting ion kinetic temperature, number density, and containment time in the NASA Lewis bumpy-torus plasma

    Science.gov (United States)

    Roth, J. R.

    1977-01-01

    The degree of toroidal symmetry of the plasma, the number of midplane electrode rings, the configuration of electrode rings, and the location of the diagnostic instruments with respect to the electrode rings used to generate the plasma are discussed. Impurities were deliberately introduced into the plasma, and the effects of the impurity fraction on ion kinetic temperature and electron number density were observed. It is concluded that, if necessary precautions are taken, the plasma communicates extremely well along the magnetic field lines and displays a high degree of symmetry from sector to sector for a wide range of electrode ring configurations and operating conditions. Finally, some characteristic data taken under nonoptimized conditions are presented, which include the highest electron number density and the longest particle containment time (1.9 msec) observed. Also, evidence from a paired comparison test is presented which shows that the electric field acting along the minor radius of the toroidal plasma improves the plasma density and the calculated containment time more than an order of magnitude if the electric field points inward, relative to the values observed when it points (and pushes ions) radially outward.

  9. Canadian children's and youth's pedometer-determined steps/day, parent-reported TV watching time, and overweight/obesity: the CANPLAY Surveillance Study.

    Science.gov (United States)

    Tudor-Locke, Catrine; Craig, Cora L; Cameron, Christine; Griffiths, Joseph M

    2011-06-25

    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. 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. 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, television between school and dinner on school days. Adjusting for child's age and sex and parental education, the odds of a child being obese decreased by 20% for every extra 3000 steps/day and increased by 21% for every 30 minutes of television watching. There was no association of being overweight with steps/day, however the odds of being overweight increased by 8% for every 30 minutes of additional time spent watching television between school and dinner on a typical school day. 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

  10. Time kinetics of physical activity, sitting, and quality of life measures within a regional workplace: a cross–sectional analysis

    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

  11. A high-order solver for unsteady incompressible Navier-Stokes equations using the flux reconstruction method on unstructured grids with implicit dual time stepping

    Science.gov (United States)

    Cox, Christopher; Liang, Chunlei; Plesniak, Michael

    2015-11-01

    This paper reports development of a high-order compact method for solving unsteady incompressible flow on unstructured grids with implicit time stepping. The method falls under the class of methods now referred to as flux reconstruction/correction procedure via reconstruction. The governing equations employ the classical artificial compressibility treatment, where dual time stepping is needed to solve unsteady flow problems. An implicit non-linear lower-upper symmetric Gauss-Seidel scheme with backward Euler discretization is used to efficiently march the solution in pseudo time, while a second-order backward Euler discretization is used to march in physical time. We verify and validate implementation of the high-order method coupled with our implicit time-stepping scheme. Three-dimensional results computed on many processing elements will be presented. The high-order method is very suitable for parallel computing and can easily be extended to moving and deforming grids. The current implicit time stepping scheme is proven effective in satisfying the divergence-free constraint on the velocity field in the artificial compressibility formulation within the context of the high-order flux reconstruction method. Financial support provided under the GW Presidential Merit Fellowship.

  12. A coupled electro-thermo-mechanical FEM code for large scale problems including multi-domain and multiple time-step aspects

    OpenAIRE

    Menanteau, Laurent; Pantalé, Olivier; Caperaa, Serge

    2005-01-01

    This work concerns the development of a virtual prototyping tool for large scale electro-thermo-mechanical simulation of power converters used in railway transport including multi-domain and multiple time-steps aspects. For this purpose, Domain Decomposition Method (DDM) is used to give on one hand the ability to treat large scale problems and on the other hand, for transient analysis, the ability to use different time-steps in different parts of the numerical model. An Object-Oriented progra...

  13. 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.

  14. Time kinetics of physical activity, sitting, and quality of life measures within a regional workplace: a cross-sectional analysis.

    Science.gov (United States)

    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 physical activity levels (p 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 counteract the alarming behavioural trends found in this study to maintain and/or enhance employee health and productivity.

  15. Time-resolved imaging of contrast kinetics does not improve performance of follow-up MRA of embolized intracranial aneurysms.

    Science.gov (United States)

    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.

  16. Comparisons of time explicit hybrid kinetic-fluid code Architect for Plasma Wakefield Acceleration with a full PIC code

    Energy Technology Data Exchange (ETDEWEB)

    Massimo, F., E-mail: francesco.massimo@ensta-paristech.fr [Laboratoire d' Optique Appliquée, ENSTA ParisTech, CNRS, École Polytechnique, Université Paris-Saclay, 828 bd des Maréchaux, 91762 Palaiseau (France); Dipartimento SBAI, Università di Roma “La Sapienza“, Via A. Scarpa 14, 00161 Roma (Italy); Atzeni, S. [Dipartimento SBAI, Università di Roma “La Sapienza“, Via A. Scarpa 14, 00161 Roma (Italy); Marocchino, A. [Dipartimento SBAI, Università di Roma “La Sapienza“, Via A. Scarpa 14, 00161 Roma (Italy); INFN – LNF, via Enrico Fermi 40, 00044 Frascati (Italy)

    2016-12-15

    Architect, a time explicit hybrid code designed to perform quick simulations for electron driven plasma wakefield acceleration, is described. In order to obtain beam quality acceptable for applications, control of the beam-plasma-dynamics is necessary. Particle in Cell (PIC) codes represent the state-of-the-art technique to investigate the underlying physics and possible experimental scenarios; however PIC codes demand the necessity of heavy computational resources. Architect code substantially reduces the need for computational resources by using a hybrid approach: relativistic electron bunches are treated kinetically as in a PIC code and the background plasma as a fluid. Cylindrical symmetry is assumed for the solution of the electromagnetic fields and fluid equations. In this paper both the underlying algorithms as well as a comparison with a fully three dimensional particle in cell code are reported. The comparison highlights the good agreement between the two models up to the weakly non-linear regimes. In highly non-linear regimes the two models only disagree in a localized region, where the plasma electrons expelled by the bunch close up at the end of the first plasma oscillation.

  17. Morphogenesis of Kinetic Reciprocal Frames

    DEFF Research Database (Denmark)

    Parigi, Dario; Sassone, Mario

    2011-01-01

    Kinetic structures in civil engineering and architecture gained considerable more attention in the very recent years as a practical solution to face time dependant performances. Realized projects are mostly bridges, retractable roofs, while in architecture the trend follows the category of intera......Kinetic structures in civil engineering and architecture gained considerable more attention in the very recent years as a practical solution to face time dependant performances. Realized projects are mostly bridges, retractable roofs, while in architecture the trend follows the category...... (RF) were studied in the past as a practical solution to span distances with shorter elements. Leonardo da Vinci discovered interesting RF patterns and studied three dimensional arch structures for bridges. RF are generally defined as structures that forms closed circuits of forces, and where elements...... joins in intermediate points. In the present paper we will describe a new subset of kinetic structures based on reciprocal frames topology and pin-slot constraint, a connection where a pin is constrained to move along a slot, and to rotate around its axis. The first step in obtaining a kinetic...

  18. Kinetic modelization of water-rock interaction processes

    International Nuclear Information System (INIS)

    Pena, J.; Gimeno, M.J.

    1994-01-01

    A review of basic concepts in kinetics of low temperature natural systems is given: elementary and overall reactions, steady state and reaction mechanism, sequential reactions, parallel reactions and rate-determining step, temperature dependence of rate constant and principle of detailed balancing. The current status of kinetics modeling of water/rock interaction is treated. The comparison of the mean life of the processes with the residence time of the water in the system is very useful to decide the application or not of the kinetics treatment to the water/rock interaction processes. The right application of the kinetics treatment to the water/rock interaction needs the knowledge of the magnitude of the surface through which the water/rock reaction take place and its variation with time. Two ways to treat kinetically the water/rock interaction are the Mass Transfer method and the quasi-stationary state method

  19. Real-Time Enzyme Kinetics by Quantitative NMR Spectroscopy and Determination of the Michaelis-Menten Constant Using the Lambert-W Function

    Science.gov (United States)

    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…

  20. Kinetics of the F+NO2+M->FNO2+M reaction studied by pulse radiolysis combined with time-resolved IR and UV spectroscopy

    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...

  1. Effect of a simple two-step warfarin dosing algorithm on anticoagulant control as measured by time in therapeutic range : a pilot study

    NARCIS (Netherlands)

    Kim, Y. -K.; Nieuwlaat, R.; Connolly, S. J.; Schulman, S.; Meijer, K.; Raju, N.; Kaatz, S.; Eikelboom, J. W.

    Background: The efficacy and safety of vitamin K antagonists for the prevention of thromboembolism are dependent on the time for which the International Normalized Ratio (INR) is in the therapeutic range. The objective of our study was to determine the effect of introducing a simple two-step dosing

  2. Adaptively time stepping the stochastic Landau-Lifshitz-Gilbert equation at nonzero temperature: Implementation and validation in MuMax3

    Science.gov (United States)

    Leliaert, J.; Mulkers, J.; De Clercq, J.; Coene, A.; Dvornik, M.; Van Waeyenberge, B.

    2017-12-01

    Thermal fluctuations play an increasingly important role in micromagnetic research relevant for various biomedical and other technological applications. Until now, it was deemed necessary to use a time stepping algorithm with a fixed time step in order to perform micromagnetic simulations at nonzero temperatures. However, Berkov and Gorn have shown in [D. Berkov and N. Gorn, J. Phys.: Condens. Matter,14, L281, 2002] that the drift term which generally appears when solving stochastic differential equations can only influence the length of the magnetization. This quantity is however fixed in the case of the stochastic Landau-Lifshitz-Gilbert equation. In this paper, we exploit this fact to straightforwardly extend existing high order solvers with an adaptive time stepping algorithm. We implemented the presented methods in the freely available GPU-accelerated micromagnetic software package MuMax3 and used it to extensively validate the presented methods. Next to the advantage of having control over the error tolerance, we report a twenty fold speedup without a loss of accuracy, when using the presented methods as compared to the hereto best practice of using Heun's solver with a small fixed time step.

  3. Characterization of olive oil volatiles by multi-step direct thermal desorption-comprehensive gas chromatography-time-of-flight mass spectrometry using a programmed temperature vaporizing injector

    NARCIS (Netherlands)

    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

  4. Kinetic Analyses of Cation Exchange Rates in Synthetic Birnessite Measured by Time- Resolved Synchrotron X-ray Diffraction

    Science.gov (United States)

    Lopano, C. L.; Heaney, P. J.; Post, J. E.; Bandstra, J.; Brantley, S. L.

    2006-05-01

    Birnessite is the most abundant and chemically important layer-structure Mn-oxide phase found in soils, desert varnishes, and ocean nodules. It also is industrially important for use in battery technology and octahedral sieves. Due to the poorly crystalline nature of natural birnessite, synthetic analogues typically have been employed in studies that explore the structural response of birnessite to variations in interlayer composition. For this work, we measured changes in unit-cell parameters over time to quantify the degree of cation exchange as a function of concentration. Aqueous K+, Cs+, and Ba2+ cations at varying concentrations at pH 7 were exchanged for interlayer Na+ in synthetic birnessite (Na0.58(Mn4+1.42,Mn3+0.58)O4·1.5H2O) using a simple flow- through cell, and the exchange products were monitored via time-resolved X-ray powder diffraction at the National Synchrotron Light Source. Powder X-ray diffraction patterns were collected every 2-3 minutes. Rietveld analyses of X-ray diffraction patterns for K- and Ba-exchanged birnessite revealed a decrease in unit- cell volume over time. In contrast, Cs+ substitution increased cell volume. For all three cations, the crystallographic data indicate that exchange occurred in two stages. A rapid and dramatic change in unit-cell volume was followed by a modest adjustment over longer timescales. Fourier electron difference syntheses revealed that the rapid, initial stage of exchange was marked by re-configuration of the interlayer species, whereas the second, protracted phase of substitution represented ordering into the newly established interlayer positions. For the first time, we have modeled the kinetics of interlayer substitution in Na-birnessite. For purposes of comparison, we have employed a simple one-stage reaction (i.e., Na-birnessite → K-birnessite) and a two stage reaction (i.e,. Na-birnessite → K-birnessitedisordered → K- birnessiteordered). For exchange with 0.01 M KCl solutions, the single

  5. Implosion anisotropy of neutron kinetic energy distributions as measured with the neutron time-of-flight diagnostics at the National Ignition Facility

    Science.gov (United States)

    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.

  6. Polar cap arcs from the magnetosphere to the ionosphere: kinetic modelling and observations by Cluster and TIMED

    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

  7. Analytical representation for solution of the neutron point kinetics equation with time-dependent reactivity and free of the stiffness character; Representacao analitica da solucao da equacao de cinetica pontual para a reatividade variavel no tempo livre de rigidez

    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)

  8. Canadian children's and youth's pedometer-determined steps/day, parent-reported TV watching time, and overweight/obesity: The CANPLAY Surveillance Study

    OpenAIRE

    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...

  9. 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.

  10. Preliminary clinical application of contrast-enhanced MR angiography using three-dimensional time-resolved imaging of contrast kinetics

    International Nuclear Information System (INIS)

    Yang Chunshan; Zhang Song; Zhou Kangrong; Liu Shiyuan Xiao Xiangsheng; Wang Jinlin; Li Huimin; Xiao Shan; Gong Wanqing

    2007-01-01

    Objective: To assess the clinical application of contrast-enhanced MR angiography using three-dimensional (3D) time-resolved imaging of contrast kinetics (CE-MRA 3D-TRICKS). Methods: TRICKS is a high temporal resolution (2-6 s) MR angiographic technique using a short TR (2.8- 4.0 ms) and TE (0.9-1.3 ms), partial echo sampling and the central part of the k-space being updated more frequently than the peripheral part of the k-space. Pre-contrast mask 3D images are first acquired and 15-20 sequential 3D images following bolus injection of Gd-DTPA are then acquired. Results: Thirty patients underwent contrast-enhanced MR angiography using TRICKS. Twelve vertebral arteries were well displayed on TRICKS. Seven of them showed normal, bilateral vertebral artery stenosis was shown in 1 case, and unilateral vertebral artery stenosis was shown in 4 wth accompaning ipsilateral carotid artery bifurcation stenosis in one case. Bilateral renal artery showed normal in 4 cases, and the artery in transplanted kidney showed normal in one case and stenosis in another case. The cerebral artery showed normal in 2 cases, sagittal sinus thrombosis was detected in one case and intracranial arteriovenous malformation in one case. Pulmonary artery displayed normal in 3 cases, pulmonary artery thrombosis was seen in one case and pulmonary sequestration's abnormal feeding artery and draining vein was revealed in one case. The feeding artery in left lower limb fibrolipoma was showed in one case. The radial-ulnar artery artificial fistula stenosis was seen in one case, and left antebrachium hemangioma was showed in one case. Conclusion: TRICKS can clearly delineate the whole body vascular system and can reveal any vascular abnormality. It is convenient and with high successful rate, which make it the first method of choice in displaying vascular abnormality. (authors)

  11. Kinect-based choice reaching and stepping reaction time tests for clinical and in-home assessment of fall risk in older people: a prospective study.

    Science.gov (United States)

    Ejupi, Andreas; Gschwind, Yves J; Brodie, Matthew; Zagler, Wolfgang L; Lord, Stephen R; Delbaere, Kim

    2016-01-01

    Quick protective reactions such as reaching or stepping are important to avoid a fall or minimize injuries. We developed Kinect-based choice reaching and stepping reaction time tests (Kinect-based CRTs) and evaluated their ability to differentiate between older fallers and non-fallers and the feasibility of administering them at home. A total of 94 community-dwelling older people were assessed on the Kinect-based CRTs in the laboratory and were followed-up for falls for 6 months. Additionally, a subgroup (n = 20) conducted the Kinect-based CRTs at home. Signal processing algorithms were developed to extract features for reaction, movement and the total time from the Kinect skeleton data. Nineteen participants (20.2 %) reported a fall in the 6 months following the assessment. The reaction time (fallers: 797 ± 136 ms, non-fallers: 714 ± 89 ms), movement time (fallers: 392 ± 50 ms, non-fallers: 358 ± 51 ms) and total time (fallers: 1189 ± 170 ms, non-fallers: 1072 ± 109 ms) of the reaching reaction time test differentiated well between the fallers and non-fallers. The stepping reaction time test did not significantly discriminate between the two groups in the prospective study. The correlations between the laboratory and in-home assessments were 0.689 for the reaching reaction time and 0.860 for stepping reaction time. The study findings indicate that the Kinect-based CRT tests are feasible to administer in clinical and in-home settings, and thus represents an important step towards the development of sensor-based fall risk self-assessments. With further validation, the assessments may prove useful as a fall risk screen and home-based assessment measures for monitoring changes over time and effects of fall prevention interventions.

  12. The type of GnRH analogue used during controlled ovarian stimulation influences early embryo developmental kinetics: a time-lapse study.

    Science.gov (United States)

    Muñoz, Manuel; Cruz, María; Humaidan, Peter; Garrido, Nicolás; Pérez-Cano, Inmaculada; Meseguer, Marcos

    2013-06-01

    To explore if the GnRH analogue used for controlled ovarian stimulation (COS) and the ovulation triggering factor (GnRH agonist + hCG triggering versus GnRH antagonist + GnRH agonist triggering) affect embryo development and kinetics. In a retrospective cohort study in the Instituto Valenciano de Infertilidad (IVI) Alicante and the Instituto Universitario-IVI Valencia, Spain, 2817 embryos deriving from 400 couples undergoing oocyte donation were analysed. After controlled ovarian stimulation and IVF/intracytoplamic sperm injection, the timing of embryonic cleavages was assessed by a video time-lapse system. The results were analysed using Student's t test for comparison of timings (hours) and Chi-squared test for comparison of proportions. A p-value we can suggest that the type of protocol used for controlled ovarian stimulation influences embryo kinetics of development but these variations are not reflected in embryo quality. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  13. Use of kinetic plots for the optimization of the separation time in ultra-high-pressure LC

    NARCIS (Netherlands)

    Eeltink, S.; Decrop, W.M.C.; Steiner, F.; Ursem, M.; Cabooter, D.; Desmet, G.; Kok, W.T.

    2010-01-01

    The kinetic-plot approach, in which experimental t0 and N-values are extrapolated to the performance at maximum system pressure by increasing the column length, was validated by coupling 250×3 mm columns packed with 3 μm particles. The extra-column volume introduced by coupling columns could be

  14. Long Dwell-Time Passage of DNA through Nanometer-Scale Pores : Kinetics and Sequence Dependence of Motion

    NARCIS (Netherlands)

    Jetha, N.N.; Feehan, C.; Wiggin, M.; Tabard-Cossa, V.; Marziali, A.

    2011-01-01

    A detailed understanding of the kinetics of DNA motion though nanometer-scale pores is important for the successful development of many of the proposed next-generation rapid DNA sequencing and analysis methods. Many of these approaches require DNA motion through nanopores to be slowed by several

  15. Associations of reallocating sitting time into standing or stepping with glucose, insulin and insulin sensitivity: a cross-sectional analysis of adults at risk of type 2 diabetes.

    Science.gov (United States)

    Edwardson, Charlotte L; Henson, Joe; Bodicoat, Danielle H; Bakrania, Kishan; Khunti, Kamlesh; Davies, Melanie J; Yates, Thomas

    2017-01-13

    To quantify associations between sitting time and glucose, insulin and insulin sensitivity by considering reallocation of time into standing or stepping. Cross-sectional. Leicestershire, UK, 2013. Adults aged 30-75 years at high risk of impaired glucose regulation (IGR) or type 2 diabetes. 435 adults (age 66.8±7.4 years; 61.7% male; 89.2% white European) were included. Participants wore an activPAL3 monitor 24 hours/day for 7 days to capture time spent sitting, standing and stepping. Fasting and 2-hour postchallenge glucose and insulin were assessed; insulin sensitivity was calculated by Homeostasis Model Assessment of Insulin Secretion (HOMA-IS) and Matsuda-Insulin Sensitivity Index (Matsuda-ISI). Isotemporal substitution regression modelling was used to quantify associations of substituting 30 min of waking sitting time (accumulated in prolonged (≥30 min) or short (sitting to short sitting time and to standing was associated with 4% lower fasting insulin and 4% higher HOMA-IS; reallocation of prolonged sitting to standing was also associated with a 5% higher Matsuda-ISI. Reallocation to stepping was associated with 5% lower 2-hour glucose, 7% lower fasting insulin, 13% lower 2-hour insulin and a 9% and 16% higher HOMA-IS and Matsuda-ISI, respectively. Reallocation of short sitting time to stepping was associated with 5% and 10% lower 2-hour glucose and 2-hour insulin and 12% higher Matsuda-ISI. Results were not modified by IGR status or sex. Reallocating a small amount of short or prolonged sitting time with standing or stepping may improve 2-hour glucose, fasting and 2-hour insulin and insulin sensitivity. Findings should be confirmed through prospective and intervention research. ISRCTN31392913, Post-results. 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/.

  16. Optimal clustering of kinetic patterns on malignant breast lesions: comparison between K-means clustering and three-time-points method in dynamic contrast-enhanced MRI.

    Science.gov (United States)

    Lee, S H; Kim, J H; Kim, K G; Park, J S; Park, S J; Moon, W K

    2007-01-01

    Dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) is useful for breast cancer diagnosis and treatment planning. Nevertheless, due to the multi-temporal nature of DCE-MRI data, the assessment of early stage breast cancer is a challenging task. In this study, we applied an unsupervised clustering approach and cluster validation technique to the analysis of malignant intral-tumoral kinetic curves in DCE-MRI. K-means cluster analysis was performed from real world malignant tumor cases and the data were transformed into an optimal number of reference patterns representative each cluster. The optimal number of clusters was estimated by a cluster validation index, which was calculated with the ratio of inter-class scatter to intra-class scatter. This technique then classifies tumor specific patterns from a given MRI data by measuring the vector distances from the reference pattern set, and compared the result from the k-means clustering with that from three-time-points (3TP) method, which represents a clinical standard protocol for analysis of tumor kinetics. The evaluation of twenty five cases indicates that optimal k-means clustering reflects partitioning intra-tumoral kinetic patterns better than the 3TP technique. This method will greatly enhance the capability of radiologists to identify and characterize internal kinetic heterogeneity and vascular change of a tumor in breast DCE-MRI.

  17. The Antibiotic Resistance Arrow of Time: Efflux Pump Induction Is a General First Step in the Evolution of Mycobacterial Drug Resistance

    OpenAIRE

    Schmalstieg, Aurelia M.; Srivastava, Shashikant; Belkaya, Serkan; Deshpande, Devyani; Meek, Claudia; Leff, Richard; van Oers, Nicolai S. C.; Gumbo, Tawanda

    2012-01-01

    We hypothesize that low-level efflux pump expression is the first step in the development of high-level drug resistance in mycobacteria. We performed 28-day azithromycin dose-effect and dose-scheduling studies in our hollow-fiber model of disseminated Mycobacterium avium-M. intracellulare complex. Both microbial kill and resistance emergence were most closely linked to the within-macrophage area under the concentration-time curve (AUC)/MIC ratio. Quantitative PCR revealed that subtherapeutic ...

  18. Development of one-step real-time reverse transcriptase-PCR-based assays for the rapid and simultaneous detection of four viruses causing porcine diarrhea

    OpenAIRE

    Masuda, Tsuneyuki; Tsuchiaka, Shinobu; Ashiba, Tomoko; Yamasato, Hiroshi; Fukunari, Kazuhiro; Omatsu, Tsutomu; Furuya, Tetsuya; Shirai, Junsuke; Mizutani, Tetsuya; Nagai, Makoto

    2016-01-01

    Porcine diarrhea caused by viruses is a major problem of the pig farming industry and can result in substantial losses of revenue. Thus, diagnosing the infectious agents is important to prevent and control diseases in pigs. We developed novel one-step real-time quantitative RT-PCR (qPCR) assays that can detect four porcine diarrheal viruses simultaneously: porcine epidemic diarrhea virus (PEDV), transmissible gastroenteritis virus (TGEV), porcine deltacoronavirus (PDCoV), and porcine group A ...

  19. Identifying kinetic gating mechanisms for ion channels by using two-dimensional distributions of simulated dwell times.

    Science.gov (United States)

    Magleby, K L; Weiss, D S

    1990-09-22

    Ion channels are integral membrane proteins that regulate ionic flux through cell membranes by opening and closing (or gating) their pores. The gating can be monitored by observing step changes in the current flowing through single channels. Analysis of the durations of the open and closed intervals and of the correlations among the interval durations can give insight into the gating mechanism. Although it is well known that the correlation information can be essential to distinguish among possible gating mechanisms, it has been difficult to use this information because it has not been possible to correct the predicted correlations for the distortion of the single-channel data because of filtering and noise. To overcome this limitation we present a method based on a comparison of simulated and experimental two-dimensional dwell-time distributions constructed by analysing simulated and experimental single-channel currents in an identical manner. The simulated currents incorporate the true effects of filtering and noise, the two-dimensional distributions retain the correlation information, and the identical analysis allows direct maximum-likelihood comparison of the simulated and experimental two-dimensional distributions. We show that the two-dimensional simulation method has a greatly increased ability to distinguish among models, compared with methods that use one-dimensional distributions.

  20. Characterisation of charging kinetics of dielectrics under continuous electron irradiation through real time electron emission collecting method

    Energy Technology Data Exchange (ETDEWEB)

    Guerch, Kévin, E-mail: kevin.guerch@onera.fr [ONERA, 2 Avenue Edouard Belin, 31055 Toulouse Cedex 4 (France); CIRIMAT – Institut Carnot (CNRS) Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex 09 (France); Paulmier, Thierry [ONERA, 2 Avenue Edouard Belin, 31055 Toulouse Cedex 4 (France); Guillemet-Fritsch, Sophie; Lenormand, Pascal [CIRIMAT – Institut Carnot (CNRS) Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex 09 (France)

    2015-04-15

    Dielectric materials used for spacecraft applications are often characterised under electron irradiation in order to study their physical and electrical mechanisms. For surface potential measurement, a small removable flat device based on the secondary electron spectrometer method has been developed and installed in the CEDRE irradiation test facility at ONERA (Toulouse, France). This technique was developed to get rid off specific issues inherent to the Kelvin Probe technique. This experimental device named REPA (Repulsive Electron Potential Analyser) allows in situ and real time assessment of the surface potential built up on dielectric materials under continuous electron irradiation. A calibration has been performed in order to validate this experimental setup. Furthermore, to optimise its efficiency, the physical behaviour of this device has been modelled and numerically simulated using Particle In Cell (PIC) model and a dedicated numerical code called SPIS (Spacecraft Plasma Interactions System). In a final step, electrical characterisations of a charged dielectric have been carried out under continuous electron irradiation with this new method. These results have been compared with measurements performed in same experimental conditions with conventional Kelvin Probe method. The experimental results have been discussed in this paper. To conclude, advantages of this experimental setup in regard of this application will be emphasised.

  1. Time will tell: community acceptability of HIV vaccine research before and after the “Step Study” vaccine discontinuation

    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

  2. Stochastic kinetics

    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)

  3. Kinetics and mechanism of oxidation of dimethyl sulphoxide by ...

    Indian Academy of Sciences (India)

    Unknown

    J Viroopakshappa and V Jagannadham. 150 of NaBrO3 and NaHSO3 were allowed to react together for two hours to generate HOBr completely first (step 1), and then kinetic run started with substrate DMSO. The course of the reaction was followed by estimating the unreacted HOBr iodometrically at regular intervals of time.

  4. Dynamical Constants and Time Universals: A First Step toward a Metrical Definition of Ordered and Abnormal Cognition.

    Science.gov (United States)

    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

  5. Time-Resolved Gas-Phase Kinetic, Quantum Chemical, and RRKM Studies of the Reaction of Silylene with 2,5-Dihydrofuran.

    Science.gov (United States)

    Becerra, Rosa; Cannady, J Pat; Pfrang, Christian; Walsh, Robin

    2015-11-19

    Time-resolved kinetics studies of silylene, SiH2, generated by laser flash photolysis of phenylsilane, were performed to obtain rate coefficients for its bimolecular reaction with 2,5-dihydrofuran (2,5-DHF). The reaction was studied in the gas phase over the pressure range of 1-100 Torr in SF6 bath gas, at five temperatures in the range of 296-598 K. The reaction showed pressure dependences characteristic of a third body assisted association. The second-order rate coefficients obtained by Rice-Ramsperger-Kassel-Marcus (RRKM)-assisted extrapolation to the high-pressure limit at each temperature fitted the following Arrhenius equation where the error limits are single standard deviations: log(k/cm(3) molecule(-1) s(-1)) = (-9.96 ± 0.08) + (3.38 ± 0.62 kJ mol(-1))/RT ln 10. End-product analysis revealed no GC-identifiable product. Quantum chemical (ab initio) calculations indicate that reaction of SiH2 with 2,5-DHF can occur at both the double bond (to form a silirane) and the O atom (to form a donor-acceptor, zwitterionic complex) via barrierless processes. Further possible reaction steps were explored, of which the only viable one appears to be decomposition of the O-complex to give 1,3-butadiene + silanone, although isomerization of the silirane cannot be completely ruled out. The potential energy surface for SiH2 + 2,5-DHF is consistent with that of SiH2 with Me2O, and with that of SiH2 with cis-but-2-ene, the simplest reference reactions. RRKM calculations incorporating reaction at both π- and O atom sites, can be made to fit the experimental rate coefficient pressure dependence curves at 296-476 K, giving values for k(∞)(π) and k(∞)(O) that indicate the latter is larger in magnitude at all temperatures, in contrast to values from individual model reactions. This unexpected result suggests that, in 2,5-DHF with its two different reaction sites, the O atom exerts the more pronounced electrophilic attraction on the approaching silylene. Arrhenius parameters

  6. Standardization of a two-step real-time polymerase chain reaction based method for species-specific detection of medically important Aspergillus species

    Directory of Open Access Journals (Sweden)

    P Das

    2017-01-01

    Full Text Available Purpose: 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. Materials and Methods: 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. Results: 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. Conclusion: 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.

  7. Standardization of a two-step real-time polymerase chain reaction based method for species-specific detection of medically important Aspergillus species.

    Science.gov (United States)

    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.

  8. Kinetic spectrophotometric determination of trace amounts of palladium by whole kinetic curve and a fixed time method using resazurine sulfide reaction

    Science.gov (United States)

    Niazi, Ali; Jafarian, Behnam; Ghasemi, Jahanbakhsh

    2008-12-01

    The univariate and multivariate calibration methods were applied for the determination of trace amounts of palladium based on the catalytic effect on the reaction between resazurine and sulfide. The decrease in absorbance of resazurine at 602 nm over a fixed time is proportional to the concentration of palladium over the range of 10.0-160.0 ng mL -1. The calibration matrix for partial least squares (PLS) regression was designed with 14 samples. Orthogonal signal correction (OSC) is a preprocessing technique used for removing the information unrelated to the target variables based on constrained principal component analysis. OSC is a suitable preprocessing method for PLS calibration without loss of prediction ability using spectrophotometric method. The root mean square error of prediction (RMSEP) for palladium determination with fixed-time, PLS and OSC-PLS were 3.71, 2.84 and 0.68, respectively. This procedure allows the determination of palladium in synthetic and real samples with good reliability of the determination.

  9. ns-μs Time-Resolved Step-Scan FTIR of ba3 Oxidoreductase from Thermus thermophilus: Protonic Connectivity of w941-w946-w927

    Directory of Open Access Journals (Sweden)

    Antonis Nicolaides

    2016-09-01

    Full Text Available Time-resolved step-scan FTIR spectroscopy has been employed to probe the dynamics of the ba3 oxidoreductase from Thermus thermophilus in the ns-μs time range and in the pH/pD 6–9 range. The data revealed a pH/pD sensitivity of the D372 residue and of the ring-A propionate of heme a3. Based on the observed transient changes a model in which the protonic connectivity of w941-w946-927 to the D372 and the ring-A propionate of heme a3 is described.

  10. Using a two-step matrix solution to reduce the run time in KULL's magnetic diffusion package

    Energy Technology Data Exchange (ETDEWEB)

    Brunner, T A; Kolev, T V

    2010-12-17

    Recently a Resistive Magnetohydrodynamics (MHD) package has been added to the KULL code. In order to be compatible with the underlying hydrodynamics algorithm, a new sub-zonal magnetics discretization was developed that supports arbitrary polygonal and polyhedral zones. This flexibility comes at the cost of many more unknowns per zone - approximately ten times more for a hexahedral mesh. We can eliminate some (or all, depending on the dimensionality) of the extra unknowns from the global matrix during assembly by using a Schur complement approach. This trades expensive global work for cache-friendly local work, while still allowing solution for the full system. Significant improvements in the solution time are observed for several test problems.

  11. Using a two-step matrix solution to reduce run time in Kull'S magnetic diffusion package

    International Nuclear Information System (INIS)

    Brunner, Thomas A.; Kolev, Tzanio V.

    2011-01-01

    Recently a Resistive Magnetohydrodynamics (MHD) package has been added to the KULL code. In order to be compatible with the underlying hydrodynamics algorithm, a new sub-zonal magnetics discretization was developed that supports arbitrary polygonal and polyhedral zones. This flexibility comes at the cost of many more unknowns per zone - approximately ten times more for a hexahedral mesh. We can eliminate some (or all, depending on the dimensionality) of the extra unknowns from the global matrix during assembly by using a Schur complement approach. This trades expensive global work for cache-friendly local work, while still allowing solution for the full system. Significant improvements in the solution time are observed for several test problems. (author)

  12. Development of a time-stepping sediment budget model for assessing land use impacts in large river basins.

    Science.gov (United States)

    Wilkinson, S N; Dougall, C; Kinsey-Henderson, A E; Searle, R D; Ellis, R J; Bartley, R

    2014-01-15

    The use of river basin modelling to guide mitigation of non-point source pollution of wetlands, estuaries and coastal waters has become widespread. To assess and simulate the impacts of alternate land use or climate scenarios on river washload requires modelling techniques that represent sediment sources and transport at the time scales of system response. Building on the mean-annual SedNet model, we propose a new D-SedNet model which constructs daily budgets of fine sediment sources, transport and deposition for each link in a river network. Erosion rates (hillslope, gully and streambank erosion) and fine sediment sinks (floodplains and reservoirs) are disaggregated from mean annual rates based on daily rainfall and runoff. The model is evaluated in the Burdekin basin in tropical Australia, where policy targets have been set for reducing sediment and nutrient loads to the Great Barrier Reef (GBR) lagoon from grazing and cropping land. D-SedNet predicted annual loads with similar performance to that of a sediment rating curve calibrated to monitored suspended sediment concentrations. Relative to a 22-year reference load time series at the basin outlet derived from a dynamic general additive model based on monitoring data, D-SedNet had a median absolute error of 68% compared with 112% for the rating curve. RMS error was slightly higher for D-SedNet than for the rating curve due to large relative errors on small loads in several drought years. This accuracy is similar to existing agricultural system models used in arable or humid environments. Predicted river loads were sensitive to ground vegetation cover. We conclude that the river network sediment budget model provides some capacity for predicting load time-series independent of monitoring data in ungauged basins, and for evaluating the impact of land management on river sediment load time-series, which is challenging across large regions in data-poor environments. © 2013. Published by Elsevier B.V. All rights

  13. Lower limb loading in step aerobic dance.

    Science.gov (United States)

    Wu, H-W; Hsieh, H-M; Chang, Y-W; Wang, L-H

    2012-11-01

    Participation in aerobic dance is associated with a number of lower extremity injuries, and abnormal joint loading seems to be a factor in these. However, information on joint loading is limited. The purpose of this study was to investigate the kinetics of the lower extremity in step aerobic dance and to compare the differences of high-impact and low-impact step aerobic dance in 4 aerobic movements (mambo, kick, L step and leg curl). 18 subjects were recruited for this study. High-impact aerobic dance requires a significantly greater range of motion, joint force and joint moment than low-impact step aerobic dance. The peak joint forces and moments in high-impact step aerobic dance were found to be 1.4 times higher than in low-impact step aerobic dance. Understanding the nature of joint loading may help choreographers develop dance combinations that are less injury-prone. Furthermore, increased knowledge about joint loading may be helpful in lowering the risk of injuries in aerobic dance instructors and students. © Georg Thieme Verlag KG Stuttgart · New York.

  14. A one-step real-time multiplex PCR for screening Y-chromosomal microdeletions without downstream amplicon size analysis.

    Directory of Open Access Journals (Sweden)

    Viviana Kozina

    Full Text Available BACKGROUND: Y-chromosomal microdeletions (YCMD are one of the major genetic causes for non-obstructive azoospermia. Genetic testing for YCMD by multiplex polymerase chain reaction (PCR is an established method for quick and robust screening of deletions in the AZF regions of the Y-chromosome. Multiplex PCRs have the advantage of including a control gene in every reaction and significantly reducing the number of reactions needed to screen the relevant genomic markers. PRINCIPAL FINDINGS: The widely established "EAA/EMQN best practice guidelines for molecular diagnosis of Y-chromosomal microdeletions (2004" were used as a basis for designing a real-time multiplex PCR system, in which the YCMD can simply be identified by their melting points. For this reason, some AZF primers were substituted by primers for regions in their genomic proximity, and the ZFX/ZFY control primer was exchanged by the AMELX/AMELY control primer. Furthermore, we substituted the classical SybrGreen I dye by the novel and high-performing DNA-binding dye EvaGreen™ and put substantial effort in titrating the primer combinations in respect to optimal melting peak separation and peak size. SIGNIFICANCE: With these changes, we were able to develop a platform-independent and robust real-time based multiplex PCR, which makes the need for amplicon identification by electrophoretic sizing expendable. By using an open-source system for real-time PCR analysis, we further demonstrate the applicability of automated melting point and YCMD detection.

  15. Kinetics of fatigue crack growth and crack paths in the old puddled steel after 100-years operating time

    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.

  16. Microsoft Office professional 2010 step by step

    CERN Document Server

    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

  17. Present status on numerical algorithms and benchmark tests for point kinetics and quasi-static approximate kinetics

    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.)

  18. A One-Step Real-Time Multiplex PCR for Screening Y-Chromosomal Microdeletions without Downstream Amplicon Size Analysis

    Science.gov (United States)

    Kozina, Viviana; Cappallo-Obermann, Heike; Gromoll, Jörg; Spiess, Andrej-Nikolai

    2011-01-01

    Backgound Y-chromosomal microdeletions (YCMD) are one of the major genetic causes for non-obstructive azoospermia. Genetic testing for YCMD by multiplex polymerase chain reaction (PCR) is an established method for quick and robust screening of deletions in the AZF regions of the Y-chromosome. Multiplex PCRs have the advantage of including a control gene in every reaction and significantly reducing the number of reactions needed to screen the relevant genomic markers. Principal Findings The widely established “EAA/EMQN best practice guidelines for molecular diagnosis of Y-chromosomal microdeletions (2004)” were used as a basis for designing a real-time multiplex PCR system, in which the YCMD can simply be identified by their melting points. For this reason, some AZF primers were substituted by primers for regions in their genomic proximity, and the ZFX/ZFY control primer was exchanged by the AMELX/AMELY control primer. Furthermore, we substituted the classical SybrGreen I dye by the novel and high-performing DNA-binding dye EvaGreen™ and put substantial effort in titrating the primer combinations in respect to optimal melting peak separation and peak size. Significance With these changes, we were able to develop a platform-independent and robust real-time based multiplex PCR, which makes the need for amplicon identification by electrophoretic sizing expendable. By using an open-source system for real-time PCR analysis, we further demonstrate the applicability of automated melting point and YCMD detection. PMID:21887237

  19. Two-step Laser Time-of-Flight Mass Spectrometry to Elucidate Organic Diversity in Planetary Surface Materials.

    Science.gov (United States)

    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.

  20. Kinetic Typography

    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....

  1. Time-stepping techniques to enable the simulation of bursting behavior in a physiologically realistic computational islet.

    Science.gov (United States)

    Khuvis, Samuel; Gobbert, Matthias K; Peercy, Bradford E

    2015-05-01

    Physiologically realistic simulations of computational islets of beta cells require the long-time solution of several thousands of coupled ordinary differential equations (ODEs), resulting from the combination of several ODEs in each cell and realistic numbers of several hundreds of cells in an islet. For a reliable and accurate solution of complex nonlinear models up to the desired final times on the scale of several bursting periods, an appropriate ODE solver designed for stiff problems is eventually a necessity, since other solvers may not be able to handle the problem or are exceedingly inefficient. But stiff solvers are potentially significantly harder to use, since their algorithms require at least an approximation of the Jacobian matrix. For sophisticated models, systems of several complex ODEs in each cell, it is practically unworkable to differentiate these intricate nonlinear systems analytically and to manually program the resulting Jacobian matrix in computer code. This paper demonstrates that automatic differentiation can be used to obtain code for the Jacobian directly from code for the ODE system, which allows a full accounting for the sophisticated model equations. This technique is also feasible in source-code languages Fortran and C, and the conclusions apply to a wide range of systems of coupled, nonlinear reaction equations. However, when we combine an appropriately supplied Jacobian with slightly modified memory management in the ODE solver, simulations on the realistic scale of one thousand cells in the islet become possible that are several orders of magnitude faster than the original solver in the software Matlab, a language that is particularly user friendly for programming complicated model equations. We use the efficient simulator to analyze electrical bursting and show non-monotonic average burst period between fast and slow cells for increasing coupling strengths. We also find that interestingly, the arrangement of the connected fast

  2. Kinetic Typography

    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....

  3. The design of a real-time formative evaluation of the implementation process of lifestyle interventions at two worksites using a 7-step strategy (BRAVO@Work).

    Science.gov (United States)

    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

  4. The design of a real-time formative evaluation of the implementation process of lifestyle interventions at two worksites using a 7-step strategy (BRAVO@Work

    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

  5. The Effect of Phosphoric Acid Pre-etching Times on Bonding Performance and Surface Free Energy with Single-step Self-etch Adhesives.

    Science.gov (United States)

    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.

  6. Time-resolved spectral characterization of ring cavity surface emitting and ridge-type distributed feedback quantum cascade lasers by step-scan FT-IR spectroscopy.

    Science.gov (United States)

    Brandstetter, Markus; Genner, Andreas; Schwarzer, Clemens; Mujagic, Elvis; Strasser, Gottfried; Lendl, Bernhard

    2014-02-10

    We present the time-resolved comparison of pulsed 2nd order ring cavity surface emitting (RCSE) quantum cascade lasers (QCLs) and pulsed 1st order ridge-type distributed feedback (DFB) QCLs using a step-scan Fourier transform infrared (FT-IR) spectrometer. Laser devices were part of QCL arrays and fabricated from the same laser material. Required grating periods were adjusted to account for the grating order. The step-scan technique provided a spectral resolution of 0.1 cm(-1) and a time resolution of 2 ns. As a result, it was possible to gain information about the tuning behavior and potential mode-hops of the investigated lasers. Different cavity-lengths were compared, including 0.9 mm and 3.2 mm long ridge-type and 0.97 mm (circumference) ring-type cavities. RCSE QCLs were found to have improved emission properties in terms of line-stability, tuning rate and maximum emission time compared to ridge-type lasers.

  7. Monitoring supported-nanocluster heterogeneous catalyst formation: product and kinetic evidence for a 2-step, nucleation and autocatalytic growth mechanism of Pt(0)n formation from H2PtCl6 on Al2O3 or TiO2.

    Science.gov (United States)

    Mondloch, Joseph E; Yan, Xinhuan; Finke, Richard G

    2009-05-13

    A pressing problem in supported-metal-nanoparticle heterogeneous catalysis--despite the long history and considerable fundamental as well as industrial importance of such heterogeneous catalysts--is how to monitor such catalysts' formation more routinely, rapidly, and in real time. Such information is needed to better control the size, shape, composition, and thus resultant catalytic activity, selectivity, and lifetime of these important catalysts. To this end, a study is reported of the formation of supported Pt(0)(n) nanoparticles by H(2) reduction of H(2)PtCl(6) on Al(2)O(3) (or TiO(2)) to give 6 equivalents of HCl plus supported Pt(0)(n)/Al(2)O(3) (or Pt(0)(n)/TiO(2)), all while in contact with a solution of EtOH and cyclohexene. The HCl and Pt(0)(n) products were confirmed, respectively, by the stoichiometry of HCl formation using pH(apparent) measurements, appropriate standards, and by TEM and EDX measurements. The hypothesis of this research is that the kinetics of formation of this supported heterogeneous catalyst could be successfully monitored by a fast cyclohexene hydrogenation catalytic reporter reaction method first worked out for monitoring transition-metal nanoparticle formation in solution (Watzky, M. A. and Finke, R. G. J. Am. Chem. Soc. 1997, 119, 10382-10400). Significantly, sigmoidal kinetics of Pt(0)(n)/Al(2)O(3) catalyst formation were in fact successfully monitored by the catalytic hydrogenation reporter reaction method and then found to be well fit to the Finke-Watzky (hereafter F-W) 2-step, slow continuous nucleation and then autocatalytic surface growth mechanism, A --> B (rate constant k(1)) and A + B --> 2B (rate constant k(2)), respectively, in which A is the H(2)PtCl(6) and B is the growing, catalytically active Pt(0) nanoparticle surface. The finding that the F-W mechanism is applicable is significant in that it, in turn, suggests that the > or = 8 insights from studies of the mechanisms of soluble nanocluster formation can likely

  8. Compact Two-step Laser Time-of-Flight Mass Spectrometer for in Situ Analyses of Aromatic Organics on Planetary Missions

    Science.gov (United States)

    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.

  9. A new and inexpensive non-bit-for-bit solution reproducibility test based on time step convergence (TSC1.0)

    Energy Technology Data Exchange (ETDEWEB)

    Wan, Hui; Zhang, Kai; Rasch, Philip J.; Singh, Balwinder; Chen, Xingyuan; Edwards, Jim

    2017-02-03

    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.

  10. Time Resolved Stereo Particle Image Velocimetry Measurements of the Instabilities Downstream of a Backward-Facing Step in a Swept-Wing Boundary Layer

    Science.gov (United States)

    Eppink, Jenna L.; Yao, Chung-Sheng

    2017-01-01

    Time-resolved particle image velocimetry (TRPIV) measurements are performed down-stream of a swept backward-facing step, with a height of 49% of the boundary-layer thickness. The results agree well qualitatively with previously reported hotwire measurements, though the amplitudes of the fluctuating components measured using TRPIV are higher. Nonetheless, the low-amplitude instabilities in the flow are fairly well resolved using TR- PIV. Proper orthogonal decomposition is used to study the development of the traveling cross flow and Tollmien-Schlichting (TS) instabilities downstream of the step and to study how they interact to form the large velocity spikes that ultimately lead to transition. A secondary mode within the traveling cross flow frequency band develops with a wavelength close to that of the stationary cross flow instability, so that at a certain point in the phase, it causes an increase in the spanwise modulation initially caused by the stationary cross flow mode. This increased modulation leads to an increase in the amplitude of the TS mode, which, itself, is highly modulated through interactions with the stationary cross flow. When the traveling cross flow and TS modes align in time and space, the large velocity spikes occur. Thus, these three instabilities, which are individually of low amplitude when the spikes start to occur (U'rms/Ue <0.03), interact and combine to cause a large flow disturbance that eventually leads to transition.

  11. Kinetic buffers.

    Science.gov (United States)

    Alibrandi, Giuseppe; Fabbrizzi, Luigi; Licchelli, Maurizio; Puglisi, Antonio

    2015-01-12

    This paper proposes a new type of molecular device that is able to act as an inverse proton sponge to slowly decrease the pH inside a reaction vessel. This makes the automatic monitoring of the concentration of pH-sensitive systems possible. The device is a composite formed of an alkyl chloride, which kinetically produces acidity, and a buffer that thermodynamically modulates the variation in pH value. Profiles of pH versus time (pH-t plots) have been generated under various experimental conditions by computer simulation, and the device has been tested by carrying out automatic spectrophotometric titrations, without using an autoburette. To underline the wide variety of possible applications, this new system has been used to realize and monitor HCl uptake by a di-copper(II) bistren complex in a single run, in a completely automatic experiment. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Long-term prediction of chaotic time series with multi-step prediction horizons by a neural network with Levenberg-Marquardt learning algorithm

    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.

  13. Time-resolved solution X-ray scattering of tobacco mosaic virus coat protein: kinetics and structure of intermediates

    Energy Technology Data Exchange (ETDEWEB)

    Potschka, M.; Kock, M.H.J.; Adams, M.L.; Schuster, T.M.

    1988-11-01

    The kinetics of assembly and disassembly of tobacco mosaic virus coat protein (TMVP) following temperature jumps have been studied by small-angle X-ray scattering and turbidimetry. The structures of the principal aggregates of TMVP oligomers (A protein), intermediate size (helix I) and large size helical rods (helix II), have been characterized by their average radii of gyration of thickness, cross section, and shape obtained from the corresponding regimes of the small-angle scattering pattern. This structural information was obtained within seconds after the temperature-induced initiation of either polymerization or depolymerization and allowed the authors to detect transient intermediates. This methodology made it possible to observe and characterize the structure of a principal intermediate. Taken together with other kinetic information, these data suggest that polymerization of TMVP under virus self-assembly conditions may proceed via a single-layered helical nucleus that contains about 20 subunits. Previous studies have shown that overshoot polymerization of TMVP can occur and result in metastable long helical viruslike rods which subsequently depolymerize and then form short helical rods, depending on the conditions of the final equilibrium state. The longer rods (helix II) are overshoot polymers which form within seconds and contain 17 1/3 subunits per turn (helix IIB), in contrast to the subunit packing arrangement of 16 1/3 subunits per turn found in the shorter helical rods (helix IA). The latter packing arrangement is the one found in TMV. An overall polymerization scheme is proposed for the formation of these two helical forms of TMVP.

  14. The role of the time-kill kinetics assay as part of a preclinical modeling framework for assessing the activity of anti-tuberculosis drugs.

    Science.gov (United States)

    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.

  15. Plasmon-induced photoelectrochemical biosensor for in situ real-time measurement of biotin-streptavidin binding kinetics under visible light irradiation

    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.

  16. Growth kinetics of step edges on celestite (0 0 1) surfaces as a function of temperature, saturation state, ionic strength, and aqueous strontium:sulfate ratio: An in-situ atomic force microscopy study

    Science.gov (United States)

    Bracco, Jacquelyn N.; Gooijer, Yiscka; Higgins, Steven R.

    2016-02-01

    Step velocities on the celestite (0 0 1) surface have been measured as a function of temperature (23-45 °C), saturation state (S = 1.1-2.2), ionic strength (I = 0.01, 0.06, and 0.1 M), and aqueous strontium:sulfate ratio (r = 0.01-100) using atomic force microscopy (AFM). Celestite growth hillocks were flanked by [0 1 0]-aligned step edges, which are polar, and step edges vicinal to , which are non-polar. [0 1 0] step velocities increased with temperature and saturation state, however step velocities did not vary significantly with ionic strength. Step velocities were non-linear with saturation state, suggesting a change in mechanism at high S as compared with low S. At constant S, the step velocities were maximized at r = 1 and decreased significantly at extreme r, demonstrating the governing role of solute stoichiometry. We successfully fit the step velocity data as a function of r using the Stack and Grantham (2010) nucleation and propagation model. Based on the results as a function of ionic strength and r, the mechanism at low S is likely ion-by-ion attachment to the step with an activation energy of 75 (±10) kJ mol-1. At high S the mechanism is a combination of the one at low S and possibly attachment of a neutral species such as an ion pair with an activation energy of 43 (±9) kJ mol-1.

  17. Kinetic sculpture

    OpenAIRE

    Joneta Witabora; Jonata Witabora

    2014-01-01

    Kinetic Sculpture was born from a long process of searching new approach in sculpture. The artists tried to escape from 'static' paradigm and tried to implement movement into their works: a sculpture that is mobile. Movement is always a fascinating phenomenon to eyes. Kinetic sculpture strength lies in its unique character in combining science and art. Kinetic Sculptures are really interesting pieces of art. It succeeds to fascinate human everytime. 

  18. SHOVAV-JUEL. A one dimensional space-time kinetic code for pebble-bed high-temperature reactors with temperature and Xenon feedback

    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)

  19. Step Response Characteristics of Polymer/Ceramic Pressure-Sensitive Paint

    OpenAIRE

    Pandey, Anshuman; Gregory, James W.

    2015-01-01

    Experiments and numerical simulations have been used in this work to understand the step response characteristics of Polymer/Ceramic Pressure-Sensitive Paint (PC-PSP). A recently developed analytical model describing the essential physics in PC-PSP quenching kinetics is used, which includes the effect of both diffusion time scale and luminescent lifetime on the net response of PC-PSP. Step response simulations using this model enables an understanding of the effects of parameters, such as the...

  20. Nine time steps: ultra-fast statistical consistency testing of the Community Earth System Model (pyCECT v3.0)

    Science.gov (United States)

    Milroy, Daniel J.; Baker, Allison H.; Hammerling, Dorit M.; Jessup, Elizabeth R.

    2018-02-01

    The Community Earth System Model Ensemble Consistency Test (CESM-ECT) suite was developed as an alternative to requiring bitwise identical output for quality assurance. This objective test provides a statistical measurement of consistency between an accepted ensemble created by small initial temperature perturbations and a test set of CESM simulations. In this work, we extend the CESM-ECT suite with an inexpensive and robust test for ensemble consistency that is applied to Community Atmospheric Model (CAM) output after only nine model time steps. We demonstrate that adequate ensemble variability is achieved with instantaneous variable values at the ninth step, despite rapid perturbation growth and heterogeneous variable spread. We refer to this new test as the Ultra-Fast CAM Ensemble Consistency Test (UF-CAM-ECT) and demonstrate its effectiveness in practice, including its ability to detect small-scale events and its applicability to the Community Land Model (CLM). The new ultra-fast test facilitates CESM development, porting, and optimization efforts, particularly when used to complement information from the original CESM-ECT suite of tools.

  1. A New Quaternion-Based Kalman Filter for Real-Time Attitude Estimation Using the Two-Step Geometrically-Intuitive Correction Algorithm.

    Science.gov (United States)

    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.

  2. Analysis of molecular interaction using a pulse-induced ring-down compression ATR-DIRLD step-scan time resolved spectroscopy/2D-IR

    Science.gov (United States)

    Nishikawa, Yuji; Ito, Hiroto; Noda, Isao

    2018-03-01

    A rheo-optical method, based on pulsed compression ATR dynamic infrared linear dichroism (DIRLD) step scan time-resolved-FT-IR/2D-IR spectroscopy, is further improved. By inserting a tungsten carbide block with massive weight between a film sample and a piezo electric actuator, a ring-down response was successfully generated according to the inertial effect. The improved method is used to analyze molecular interactions in cellulose acetate propionate (CAP) films including tricresyl-phosphate (TCP), as compared with cellulose triacetate (CTA) films with the TCP case. The result suggests that the existence of molecular interaction among propionyl groups in the CAP, the TCP's Methyl, and phenyl rings, which is not observed in the CTA-TCP system.

  3. Real-time investigation of human topoisomerase I reaction kinetics using an optical sensor: a fast method for drug screening and determination of active enzyme concentrations

    Science.gov (United States)

    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

  4. The antibiotic resistance arrow of time: efflux pump induction is a general first step in the evolution of mycobacterial drug resistance.

    Science.gov (United States)

    Schmalstieg, Aurelia M; Srivastava, Shashikant; Belkaya, Serkan; Deshpande, Devyani; Meek, Claudia; Leff, Richard; van Oers, Nicolai S C; Gumbo, Tawanda

    2012-09-01

    We hypothesize that low-level efflux pump expression is the first step in the development of high-level drug resistance in mycobacteria. We performed 28-day azithromycin dose-effect and dose-scheduling studies in our hollow-fiber model of disseminated Mycobacterium avium-M. intracellulare complex. Both microbial kill and resistance emergence were most closely linked to the within-macrophage area under the concentration-time curve (AUC)/MIC ratio. Quantitative PCR revealed that subtherapeutic azithromycin exposures over 3 days led to a 56-fold increase in expression of MAV_3306, which encodes a putative ABC transporter, and MAV_1406, which encodes a putative major facilitator superfamily pump, in M. avium. By day 7, a subpopulation of M. avium with low-level resistance was encountered and exhibited the classic inverted U curve versus AUC/MIC ratios. The resistance was abolished by an efflux pump inhibitor. While the maximal microbial kill started to decrease after day 7, a population with high-level azithromycin resistance appeared at day 28. This resistance could not be reversed by efflux pump inhibitors. Orthologs of pumps encoded by MAV_3306 and MAV_1406 were identified in Mycobacterium tuberculosis, Mycobacterium leprae, Mycobacterium marinum, Mycobacterium abscessus, and Mycobacterium ulcerans. All had highly conserved protein secondary structures. We propose that induction of several efflux pumps is the first step in a general pathway to drug resistance that eventually leads to high-level chromosomal-mutation-related resistance in mycobacteria as ordered events in an "antibiotic resistance arrow of time."

  5. Deciphering relationships between in-stream travel times, nutrient concentrations, and uptake through analysis of hysteretic and non-hysteretic kinetic behavior

    Science.gov (United States)

    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.

  6. Computing the sensitivity of drag and lift in flow past a circular cylinder: Time-stepping versus self-consistent analysis

    Science.gov (United States)

    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

  7. Kinetic approach

    Indian Academy of Sciences (India)

    Collapse of a Bose gas: Kinetic approach ... Thermodynamical, statistical and static properties of condensates; Ultracold and trapped gases; matter waves. ... of a harmonically trapped attractively interacting Bose gas below the condensation point by introducing a kinetic approach within the Hartee-Fock approximation.

  8. 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)

  9. Heparin kinetics

    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.)

  10. Detection of genotype 1 Porcine Reproductive and Respiratory Syndrome virus in swine, using one-step Real-Time PCR for the ORF7 gene

    Directory of Open Access Journals (Sweden)

    Mihaela Zaulet

    2014-10-01

    Full Text Available Porcine Reproductive and Respiratory Syndrome (PRRS is the most devastating and economically challenging disease to the swine industry worldwide due to reproductive failure. The main objective of the current study was to evaluate the sensitivity and accuracy of Real-Time RT-PCR method in the detection of PRRS virus and also estimation of the pathogen load in samples with clinical signs. The primers used for the detection of PRRS virus were represented by primers with a specific sequence for the ORF7 gene of the PRRS virus. More important, the primers attachment process was influenced by punctual mutations of the viral strand belonging to the ORF7 gene. 114 samples were tested to identify the presence of PRRS virus, genotype I and 14 of them were found to be positive, using OneStep PCR. Those samples were used to test the specificity of the TaqMan probe and robustness of Real-Time RT-PCR reaction. According to the results, only the samples which presented some specific punctual mutations (4 in total, all from one particular region of Romania at the genome level of ORF7, were positive, due to primer sequence specificity and complementarity. The Real-Time RT-PCR method has been increasingly adopted by swine producers and veterinarian laboratories as one of the most trustful techniques, combining rapidity, specificity and efficiency for detecting and monitoring the spread of PRRS virus.

  11. A new real-time method for investigation of affinity properties and binding kinetics of magnetic nanoparticles

    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.

  12. Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation.

    Science.gov (United States)

    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.

  13. Real-time single-molecule tethered particle motion experiments reveal the kinetics and mechanisms of Cre-mediated site-specific recombination

    Science.gov (United States)

    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

  14. Effects of pressure, temperature, and treatment time on oscillatory rheological properties and non-isothermal gelatinization kinetics of chickpea (Cicer arietinum L.) flour slurry

    Science.gov (United States)

    Canet, W.; Cuesta, F. J.; Fuentes, R.; Alvarez, M. D.

    2017-10-01

    The effect of high hydrostatic pressure (HHP), temperature at pressurization, and treatment time at three levels (200, 400, 600 MPa; 10, 25, 50 °C 5, 15, 25 min) on the gelatinization of chickpea flour (CF) slurry during non-isothermal heating from 25 to 95 °C and gel rheological properties after subsequent cooling to 25 °C was investigated. CF gelatinization kinetics from the cross-over of elastic modulus (G’) and viscous modulus (G″) to 95 °C were considered for rate estimation. Zero-order reaction kinetics adequately described the CF gelatinization process. Structure development rate (dG‧/dt) is described by two exponential functions with activation energies ranging from 51.2 to 576.6 and -128.9 to 538.9 kJ mol-1 for downward and upward gelatinization curves, respectively. Changes in dG‧/dt vs. temperature seem to be closely related to the degree of gelatinization induced by HHP pre-treatment.

  15. Effects of Conjugate Gradient Methods and Step-Length Formulas on the Multiscale Full Waveform Inversion in Time Domain: Numerical Experiments

    Science.gov (United States)

    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

  16. Effect of selenization time on the structural and morphological properties of Cu(In,Ga)Se2 thin films absorber layers using two step growth process

    Science.gov (United States)

    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.

  17. A diagnostic one-step real-time reverse transcription polymerase chain reaction method for accurate detection of influenza virus type A.

    Science.gov (United States)

    Behzadi, Mohammad Amin; Ziyaeyan, Mazyar; Alborzi, Abdolvahab

    2016-12-01

    Influenza A is known as a public health concern worldwide. In this study, a novel one-step real-time reverse transcription polymerase chain reaction (rtRT-PCR) assay was designed and optimized for the detection of influenza A viruses. The primers and probe were designed based on the analysis of 90 matrix nucleotide sequence data of influenza type A subtypes from the GenBank database of the National Center for Biotechnology Information (NCBI). The influenza virus A/Tehran/5652/2010 (H1N1 pdm09) was used as a reference. The rtRT-PCR assay was optimized, compared with that of the World Health Organization (WHO), and its analytical sensitivity, specificity and reproducibility were evaluated. In total, 64 nasopharyngeal swabs from patients with influenza-like illness (ILI) and 41 samples without ILI symptoms were tested for the virus, using conventional cell culture, direct immunofluorescence antibody (DFA) methods, and one-step rtRT-PCR with the designed primer set and probe and the WHO's. The optimized assay results were similar to the WHO's. The optimized assay results were similar to WHO's, with non-significant differences for 10-10 3 copies of viral RNA/reaction ( p > 0.05). It detected 10 copies of viral RNA/reaction with high reproducibility and no cross reactivity with other respiratory viruses. A specific cytopathic effect was observed in 6/64 (9.37%) of the ILI group using conventional culture and DFA staining methods; however, it was not seen in non-ILI. Also, the results of our assay and the WHO's were similar to those of viral isolation and DFA staining. Given the high specificity, sensitivity and reproducibility of this novel assay, it can serve as a reliable diagnostic tool for the detection of influenza A viruses in clinical specimens and lab experiments.

  18. 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

  19. Development of a perfusion chamber assay to study in real time the kinetics of thrombosis and the antithrombotic characteristics of antiplatelet drugs

    Directory of Open Access Journals (Sweden)

    Stephens Gillian

    2012-08-01

    Full Text Available Abstract Background Arterial thrombosis triggered by vascular injury is a balance between thrombus growth and thrombus fragmentation (dethrombosis. Unbalance towards thrombus growth can lead to vascular occlusion, downstream ischemia and tissue damage. Here we describe the development of a simple methodology that allows for continuous real time monitoring and quantification of both processes during perfusion of human blood under arterial shear rate conditions. Using this methodology, we have studied the effects of antiplatelet agents targeting COX-1 (aspirin, P2Y12 (2-MeSAMP, clopidogrel, GP IIb-IIIa (eptifibatide and their combinations on the kinetics of thrombosis over time. Results Untreated samples of blood perfused over type III collagen at arterial rates of shear promoted the growth of stable thrombi. Modulation by eptifibatide affected thrombus growth, while that mediated by 2-MeSAMP and aspirin affected thrombus stability. Using this technique, we confirmed the primacy of continuous signaling by the ADP autocrine loop acting on P2Y12 in the maintenance of thrombus stability. Analysis of the kinetics of thrombosis revealed that continuous and prolonged analysis of thrombosis is required to capture the role of platelet signaling pathways in their entirety. Furthermore, studies evaluating the thrombotic profiles of 20 healthy volunteers treated with aspirin, clopidogrel or their combination indicated that while three individuals did not benefits from either aspirin or clopidogrel treatments, all individuals displayed marked destabilization profiles when treated with the combination regimen. Conclusions These results show the utility of a simple perfusion chamber technology to assess in real time the activity of antiplatelet drugs and their combinations. It offers the opportunity to perform pharmacodynamic monitoring of arterial thrombosis in clinical trials and to investigate novel strategies directed at inhibiting thrombus stability in the

  20. Early phase viral kinetics of chronic hepatitis C patients receiving telaprevir-based triple therapy: a comparison of two real-time PCR assays.

    Science.gov (United States)

    Ogawa, Eiichi; Furusyo, Norihiro; Murata, Masayuki; Toyoda, Kazuhiro; Eiraku, Kunimitsu; Shimizu, Motohiro; Harada, Yuji; Mitsumoto, Fujiko; Takayama, Koji; Okada, Kyoko; Kainuma, Mosaburo; Hayashi, Jun

    2013-08-01

    Monitoring hepatitis C virus (HCV) kinetics during antiviral treatment is recommended for determining the best form of treatment management. We compared the measurement of HCV RNA by two Real-time PCR assays during the first 12weeks phase of telaprevir in combination with pegylated interferon α2b and ribavirin treatment for chronic hepatitis C patients. The viral kinetics of 65 patients with HCV genotype 1b was assessed. HCV RNA was tested at baseline, on day 3, and every week from 1 to 12 by both the first-generation Roche COBAS® AmpliPrep/COBAS® TaqMan® HCV (CAP/CTM) assay and the Abbott RealTime HCV (ART) assay. A total of 910 serum samples were obtained from the 65 patients. Of these, 168 (28.5%) of the 590 samples HCV RNA negative by CAP/CTM were positive by ART. In contrast, 17 (3.9%) of the 439 samples HCV RNA negative by ART were positive by CAP/CTM. The rates of HCV RNA negativity by ART at weeks 3, 4, and 5 were significantly lower than those by CAP/CTM (21.5% vs. 50.8%, 36.9% vs. 70.8% and 44.6% vs. 81.5%; PHCV RNA negativity, the predictive value of detectable HCV RNA for non-sustained virological response (non-SVR) by CAP/CTM is higher than by ART at weeks 4, 6, and 8. We also found that 16 (24.6%) by CAP/CTM and 28 (43.1%) by ART had a reappearance of residual HCV RNA during the telaprevir treatment period. However, the reappearance of residual HCV RNA was not associated with non-SVR. In conclusion, a significant difference was found between the two real-time PCR assays for the assessment of virological response based on undetectable HCV RNA. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. Bile salt-induced cholesterol crystal formation from model bile vesicles: a time course study

    NARCIS (Netherlands)

    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

  2. Fast breeder reactor kinetics. An inverse problem - 135

    International Nuclear Information System (INIS)

    Seleznev, E.F.; Belov, A.A.; Mushkaterov, A.A.; Matveenko, I.P.; Zhukov, A.M.; Raskatch, K.F.

    2010-01-01

    An analysis of solution of the spatial reactor kinetics neutron-transfer equation using a fast reactor as an example is presented in this paper. To solve the spatial reactor kinetics equation in three-dimensional geometry in multi-energy group-diffusion approximation, a program calculated module TIMER was created. The number of groups of delayed neutron precursor concentrations varies from 6 to 8. When solving a transient neutron-transfer problem, two specific tasks are distinguished. The first of them is a direct problem wherein the neutron flux density and its derivatives such as reactor power etc. are determined at each time step. The second (inverse) problem exists for the point-kinetics equation where the reactor reactivity is calculated using the known dependence of reactor power on time. The paper presented focuses on solution of the inverse problem using experiment calculations for BFS-105 critical assembly. (authors)

  3. 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.

  4. IMFIT Integrated Modeling Applications Supporting Experimental Analysis: Multiple Time-Slice Kinetic EFIT Reconstructions, MHD Stability Limits, and Energy and Momentum Flux Analyses

    Science.gov (United States)

    Collier, A.; Lao, L. L.; Abla, G.; Chu, M. S.; Prater, R.; Smith, S. P.; St. John, H. E.; Guo, W.; Li, G.; Pan, C.; Ren, Q.; Park, J. M.; Bisai, N.; Srinivasan, R.; Sun, A. P.; Liu, Y.; Worrall, M.

    2010-11-01

    This presentation summarizes several useful applications provided by the IMFIT integrated modeling framework to support DIII-D and EAST research. IMFIT is based on Python and utilizes modular task-flow architecture with a central manager and extensive GUI support to coordinate tasks among component modules. The kinetic-EFIT application allows multiple time-slice reconstructions by fetching pressure profile data directly from MDS+ or from ONETWO or PTRANSP. The stability application analyzes a given reference equilibrium for stability limits by performing parameter perturbation studies with MHD codes such as DCON, GATO, ELITE, or PEST3. The transport task includes construction of experimental energy and momentum fluxes from profile analysis and comparison against theoretical models such as MMM95, GLF23, or TGLF.

  5. Kinetic Interface

    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....

  6. Kinetics of methane-ethane gas replacement in clathrate-hydrates studied by time-resolved neutron diffraction and Raman spectroscopy.

    Science.gov (United States)

    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.

  7. Real-Time Optical Monitoring of Flow Kinetics and Gas Phase Reactions Under High-Pressure OMCVD Conditions

    Science.gov (United States)

    Dietz, N.; McCall, S.; Bachmann, K. J.

    2001-01-01

    This contribution addresses the real-time optical characterization of gas flow and gas phase reactions as they play a crucial role for chemical vapor phase depositions utilizing elevated and high pressure chemical vapor deposition (HPCVD) conditions. The objectives of these experiments are to validate on the basis of results on real-time optical diagnostics process models simulation codes, and provide input parameter sets needed for analysis and control of chemical vapor deposition at elevated pressures. Access to microgravity is required to retain high pressure conditions of laminar flow, which is essential for successful acquisition and interpretation of the optical data. In this contribution, we describe the design and construction of the HPCVD system, which include access ports for various optical methods of real-time process monitoring and to analyze the initial stages of heteroepitaxy and steady-state growth in the different pressure ranges. To analyze the onset of turbulence, provisions are made for implementation of experimental methods for in-situ characterization of the nature of flow. This knowledge will be the basis for the design definition of experiments under microgravity, where gas flow conditions, gas phase and surface chemistry, might be analyzed by remote controlled real-time diagnostics tools, developed in this research project.

  8. Acrylamide and 5-hydroxymethylfurfural formation during baking of biscuits: NaCl and temperature-time profile effects and kinetics

    NARCIS (Netherlands)

    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.

  9. Time-dependent extraction kinetics of infused components of different Indian black tea types using UV spectroscopy

    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.

  10. The effects of recovery duration during high-intensity interval exercise on time spent at high rates of oxygen consumption, oxygen kinetics and blood lactate.

    Science.gov (United States)

    Smilios, Ilias; Myrkos, Aristides; Zafeiridis, Andreas; Toubekis, Argyris; Spassis, Apostolos; Tokmakidis, Savas P

    2017-03-13

    The recovery duration and the work to recovery ratio are important aspects to consider when designing a high-intensity aerobic interval exercise (HIIE). This study examined the effects of recovery duration on total exercise time performed above 80, 90 and 95% of maximum oxygen consumption (VO2max) and heart rate (HRmax) during a single-bout HIIE. We also evaluated the effects on VO2 and HR kinetics, blood lactate concentration and rating of perceived exertion (RPE). Eleven moderately trained males (22.1±1 yrs.) executed, on three separate sessions, 4×4-min runs at 90% of maximal aerobic velocity (MAV) with 2-min, 3-min and 4-min of active recovery. Recovery duration did not affect the percentage of VO2max attained and the total exercise time above 80, 90 and 95% of VO2max. Exercise time above 80 and 90% of HRmax was longer with 2 and 3 min (precovery. Oxygen uptake and HR amplitude were lower, mean response time slower (precovery (precovery during the 4×4 min HIIE; thus, all rest durations could be used for the enhancement of aerobic capacity in sports, fitness, and clinical settings. The short (2 min) compared to longer (4 min) recovery, however, evokes greater cardiovascular and metabolic stress, and activates to a greater extent anaerobic glycolysis, and hence, could be used by athletes to induce greater overall physiological challenge.

  11. Applicability of a two-step laser desorption-ionization aerosol time-of-flight mass spectrometer for determination of chemical composition of ultrafine aerosol particles

    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

  12. A 1 MHz BW 34.2 fJ/step Continuous Time Delta Sigma Modulator With an Integrated Mixer for Cardiac Ultrasound.

    Science.gov (United States)

    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.

  13. Optimization of one-step duplex real-time RT-PCR for detection of influenza and respiratory syncytial virus in nasopharyngeal aspirates.

    Science.gov (United States)

    de-Paris, Fernanda; Beck, Caroline; Machado, Alice Beatriz Mombach Pinheiro; Paiva, Rodrigo Minuto; da Silva Menezes, Denise; de Souza Nunes, Luciana; Kuchenbecker, Ricardo; Barth, Afonso Luís

    2012-12-01

    Viruses are major contributors to acute respiratory infection-related morbidity and mortality worldwide. The influenza (IF) viruses and human respiratory syncytial virus (RSV) play a particularly important role in the etiology of acute respiratory infections. This study sought to standardize a one-step duplex real-time RT-PCR technique to optimize diagnosis of IFA/IFB and RSVA/RSVB infection. Viral RNA was extracted with the commercially available QIAamp Mini Kit according to manufacturer instructions. RT-PCR was performed with primers to the matrix protein gene of IFA, the hemagglutinin gene of IFB and the N gene of RSVA and RSVB. The limits of detection were 1 copy/μL for IFA, 10 copies/μL for IFB, 5 copies/μL for RSVA, and 250 copies/μL for RSVB. The specificity of RT-PCR was determined by comparison against a panel of several respiratory pathogens. RT-PCR and indirect immunofluorescence (IIF) were compared in a sample of 250 nasopharyngeal aspirates (NPAs) collected during the year 2010. RT-PCR was more sensitive than IIF and able to detect viral co-infections. In summary, RT-PCR optimized for IFA/IFB and RSVA/RSVB is sensitive and specific for these viral agents and is therefore useful for assessment of the etiology of respiratory infections, whether for clinical or epidemiological purposes. Copyright © 2012 Elsevier B.V. All rights reserved.

  14. Mean First-Passage Time of an Asymmetric Kinetic Model Driven by Two Different Kinds of Colored Noises

    Science.gov (United States)

    Li, Dong-Xi; Xu, Wei; Guo, Yong-Feng; Wang, Liang

    2008-03-01

    The mean first-passage time (MFPT) of an asymmetric bistable system between multiplicative non-Gaussian noise and additive Gaussian white noise with nonzero cross-correlation time is investigated. Firstly, the non-Markov process is reduced to the Markov process through a path-integral approach; Secondly, the approximate Fokker-Planck equation is obtained by applying the unified colored noise approximation and the Novikov Theorem. The steady-state probability distribution (SPD) is also obtained. The basal functional analysis and simplification are employed to obtain the approximate expressions of MFPT T±. The effects of the asymmetry parameter β, the non-Gaussian parameter (measures deviation from Gaussian character) r, the noise correlation times τ and τ2, the coupling coefficient λ, the intensities D and α of noise on the MFPT are discussed. It is found that the asymmetry parameter β, the non-Gaussian parameter r and the coupling coefficient λ can induce phase transition. Moreover, the main findings are that the effect of self-existent parameters (D, α, and τ) of noise and cross-correlation parameters (λ,τ2) between noises on MFPT T± is different.

  15. Detection of bovine central nervous system tissues in rendered animal by-products by one-step real-time reverse transcription PCR assay.

    Science.gov (United States)

    Andrievskaia, Olga; Tangorra, Erin

    2014-12-01

    Contamination of rendered animal byproducts with central nervous system tissues (CNST) from animals with bovine spongiform encephalopathy is considered one of the vehicles of disease transmission. Removal from the animal feed chain of CNST originated from cattle of a specified age category, species-labeling of rendered meat products, and testing of rendered products for bovine CNST are tasks associated with the epidemiological control of bovine spongiform encephalopathy. A single-step TaqMan real-time reverse transcriptase (RRT) PCR assay was developed and evaluated for specific detection of bovine glial fibrillary acidic protein (GFAP) mRNA, a biomarker of bovine CNST, in rendered animal by-products. An internal amplification control, mammalian b -actin mRNA, was coamplified in the duplex RRT-PCR assay to monitor amplification efficiency, normalize amplification signals, and avoid false-negative results. The functionality of the GFAP mRNA RRT-PCR was assessed through analysis of laboratory-generated binary mixtures of bovine central nervous system (CNS) and muscle tissues treated under various thermal settings imitating industrial conditions. The assay was able to detect as low as 0.05 % (wt/wt) bovine brain tissue in binary mixtures heat treated at 110 to 130°C for 20 to 60 min. Further evaluation of the GFAP mRNA RRT-PCR assay involved samples of industrial rendered products of various species origin and composition obtained from commercial sources and rendering plants. Low amounts of bovine GFAP mRNA were detected in several bovine-rendered products, which was in agreement with declared species composition. An accurate estimation of CNS tissue content in industrial-rendered products was complicated due to a wide range of temperature and time settings in rendering protocols. Nevertheless, the GFAP mRNA RRT-PCR assay may be considered for bovine CNS tissue detection in rendered products in combination with other available tools (for example, animal age

  16. On coupling fluid plasma and kinetic neutral physics models

    OpenAIRE

    Joseph, I.; Rensink, M.E.; Stotler, D.P.; Dimits, A.M.; LoDestro, L.L.; Porter, G.D.; Rognlien, T.D.; Sjogreen, B.; Umansky, M.V.

    2017-01-01

    The coupled fluid plasma and kinetic neutral physics equations are analyzed through theory and simulation of benchmark cases. It is shown that coupling methods that do not treat the coupling rates implicitly are restricted to short time steps for stability. Fast charge exchange, ionization and recombination coupling rates exist, even after constraining the solution by requiring that the neutrals are at equilibrium. For explicit coupling, the present implementation of Monte Carlo correlated sa...

  17. Hydration kinetics of cements by Time-Domain Nuclear Magnetic Resonance: Application to Portland-cement-derived endodontic pastes

    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.

  18. Direct Measurement of OD+CO→ cis-DOCO, trans-DOCO, and D+CO_2 Branching Kinetics Using Time-Resolved Frequency Comb Spectroscopy

    Science.gov (United States)

    Bjork, Bryce J.; Bui, Thinh Quoc; Changala, Bryan; Spaun, Ben; Iwakuni, Kana; Ye, Jun

    2017-06-01

    The kinetics of the reaction OH+CO→H+CO_2 has attracted experimental and theoretical studies for more than 40 years due to its importance in atmospheric and combustion environments. This reaction proceeds on a rich potential energy landscape, first by forming vibrationally excited HOCO*; subsequently, HOCO* either back reacts to OH+CO, dissociates to H+CO_2, or is stabilized to ground state HOCO by collisions with a third body. Due to the formation of the HOCO intermediate, the rate coefficient displays anomalous temperature and strong pressure dependences. Time-resolved Frequency Comb Spectroscopy (TRFCS) combines a mid-IR mode-locked femtosecond laser, a broadband optical enhancement cavity, and spatially dispersive detection system to simultaneously provide broad spectral bandwidth, high spectral resolution, high absorption sensitivity, and microsecond time resolution. We have applied this powerful technique to identify the deuterated analogues of HOCO isomers, trans-DOCO and cis-DOCO, for the first time in the reaction OD+CO under ambient conditions. By directly monitoring the concentrations of OD (reactant), trans-DOCO, cis-DOCO (intermediates), and CO_2(product), we unambiguously measure all pressure-dependent branching rates of the OD+CO reaction.

  19. Development, validation and application of multi-point kinetics model in RELAP5 for analysis of asymmetric nuclear transients

    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

  20. Multirate Particle-in-Cell Time Integration Techniques of Vlasov-Maxwell Equations for Collisionless Kinetic Plasma Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Guangye [Los Alamos National Laboratory; Chacon, Luis [Los Alamos National Laboratory; Knoll, Dana Alan [Los Alamos National Laboratory; Barnes, Daniel C [Coronado Consulting

    2015-07-31

    A multi-rate PIC formulation was developed that employs large timesteps for slow field evolution, and small (adaptive) timesteps for particle orbit integrations. Implementation is based on a JFNK solver with nonlinear elimination and moment preconditioning. The approach is free of numerical instabilities (ωpeΔt >>1, and Δx >> λD), and requires many fewer dofs (vs. explicit PIC) for comparable accuracy in challenging problems. Significant gains (vs. conventional explicit PIC) may be possible for large scale simulations. The paper is organized as follows: Vlasov-Maxwell Particle-in-cell (PIC) methods for plasmas; Explicit, semi-implicit, and implicit time integrations; Implicit PIC formulation (Jacobian-Free Newton-Krylov (JFNK) with nonlinear elimination allows different treatments of disparate scales, discrete conservation properties (energy, charge, canonical momentum, etc.)); Some numerical examples; and Summary.

  1. Application of stepping motor

    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.

  2. 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

  3. A sensitive one-step real-time PCR for detection of avian influenza viruses using a MGB probe and an internal positive control

    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

  4. Kinetics and

    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.

  5. Posture and theophylline kinetics.

    OpenAIRE

    Warren, J B; Cuss, F; Barnes, P J

    1985-01-01

    The effect of posture on theophylline kinetics was examined in six healthy men who took 450 mg slow-release aminophylline orally at the same time of day on two separate occasions. On one day they remained standing and on the other supine throughout. Plasma theophylline was measured hourly for 6 h from ingestion. Mean theophylline levels were significantly higher in the standing position at all times (P less than 0.01). We conclude that diurnal variation in theophylline kinetics can be explain...

  6. Clinical diagnosis of early dengue infection by novel one-step multiplex real-time RT-PCR targeting NS1 gene.

    Science.gov (United States)

    Kim, Je-Hyoung; Chong, Chom-Kyu; Sinniah, Mangalam; Sinnadurai, Jeyaindran; Song, Hyun-Ok; Park, Hyun

    2015-04-01

    Dengue is a mosquito-borne disease that causes a public health problem in tropical and subtropical countries. Current immunological diagnostics based on IgM and/or nonstructural protein 1 (NS1) antigen are limited for acute dengue infection due to low sensitivity and accuracy. This study aimed to develop a one-step multiplex real-time RT-PCR assay showing higher sensitivity and accuracy than previous approaches. Serotype-specific primers and probes were designed through the multiple alignment of NS1 gene. The linearity and limit of detection (LOD) of the assay were determined. The assay was clinically validated with an evaluation panel that was immunologically tested by WHO and Malaysian specimens. The LOD of the assay was 3.0 log10 RNA copies for DENV-1, 2.0 for DENV-3, and 1.0 for DENV-2 and DENV-4. The assay showed 95.2% sensitivity (20/21) in an evaluation panel, whereas NS1 antigen- and anti-dengue IgM-based immunological assays exhibited 0% and 23.8-47.6% sensitivities, respectively. The assay showed 100% sensitivity both in NS1 antigen- and anti-dengue IgM-positive Malaysian specimens (26/26). The assay provided the information of viral loads and serotype with discrimination of heterotypic mixed infection. The assay could be clinically applied to early dengue diagnosis, especially during the first 5 days of illness and approximately 14 days after infection showing an anti-dengue IgM-positive response. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. Monitoring epidemic viral respiratory infections using one-step real-time triplex RT-PCR targeting influenza A and B viruses and respiratory syncytial virus.

    Science.gov (United States)

    Papillard-Marechal, Solesne; Enouf, Vincent; Schnuriger, Aurélie; Vabret, Astrid; Macheras, Edouard; Rameix-Welti, Marie-Anne; Page, Bernard; Freymuth, François; van der Werf, Sylvie; Garbarg-Chenon, Antoine; Chevallier, Bertrand; Gaillard, Jean-Louis; Gault, Elyanne

    2011-04-01

    Rapid and specific diagnosis of influenza A/B and respiratory syncytial virus (RSV) viruses is needed for optimal management of patients with acute respiratory infections. In this study, a one-step triplex real-time RT-PCR assay was developed for rapid diagnosis of influenza A/B and RSV infections to optimize diagnosis efficiency of acute respiratory infections. Cell-culture supernatants and clinical samples were used to evaluate specificity and sensitivity of the assay. The assay was used routinely during two winter epidemics for testing respiratory specimens from 2,417 patients. The limit of detection in cell-culture supernatant was 1-10 plaque forming units/input (influenza A/B) and 2 × 10(-2) 50% tissue culture infectious dose/input (RSV). In clinical samples, the assay was as sensitive as commercial molecular assays for the detection of each influenza A/B and RSV (Flu-A/B and RSV-A/B r-gene™) individually, and far more sensitive than antigen detection. During the winter 2008-2009, the assay identified 145 RSV, 42 influenza A, and one mixed RSV-influenza A infections among 298 patients. The next winter, the assay was used in two independent hospital laboratory settings. 776 patients were tested in one hospital and 1,343 in the other, resulting in 184 and 501 RSV, 133 and 150 influenza A, and 1 and 11 mixed RSV-influenza A infections, respectively, being detected. This new user-friendly assay allows rapid (within hours), effective molecular diagnosis of single or mixed infections involving influenza A (including seasonal A H1N1 and H3N2, and A(H1N1) 2009), influenza B, and RSV(A/B). The assay is very valuable for managing patients during winter epidemics when influenza and respiratory syncytial viruses co-circulate. Copyright © 2011 Wiley-Liss, Inc.

  8. One-step multiplex real time RT-PCR for the detection of bovine respiratory syncytial virus, bovine herpesvirus 1 and bovine parainfluenza virus 3.

    Science.gov (United States)

    Thonur, Leenadevi; Maley, Madeleine; Gilray, Janice; Crook, Tara; Laming, Ellie; Turnbull, Dylan; Nath, Mintu; Willoughby, Kim

    2012-03-28

    Detection of respiratory viruses in veterinary species has traditionally relied on virus detection by isolation or immunofluorescence and/or detection of circulating antibody using ELISA or serum neutralising antibody tests. Multiplex real time PCR is increasingly used to diagnose respiratory viruses in humans and has proved to be superior to traditional methods. Bovine respiratory disease (BRD) is one of the most common causes of morbidity and mortality in housed cattle and virus infections can play a major role. We describe here a one step multiplex reverse transcriptase quantitative polymerase chain reaction (mRT-qPCR) to detect the viruses commonly implicated in BRD. A mRT-qPCR assay was developed and optimised for the simultaneous detection of bovine respiratory syncytial virus (BRSV), bovine herpes virus type 1 (BoHV-1) and bovine parainfluenza virus type 3 (BPI3 i & ii) nucleic acids in clinical samples from cattle. The assay targets the highly conserved glycoprotein B gene of BoHV-1, nucleocapsid gene of BRSV and nucleoprotein gene of BPI3. This mRT-qPCR assay was assessed for sensitivity, specificity and repeatability using in vitro transcribed RNA and recent field isolates. For clinical validation, 541 samples from clinically affected animals were tested and mRT-qPCR result compared to those obtained by conventional testing using virus isolation (VI) and/or indirect fluorescent antibody test (IFAT). The mRT-qPCR assay was rapid, highly repeatable, specific and had a sensitivity of 97% in detecting 102 copies of BRSV, BoHV-1 and BPI3 i & ii. This is the first mRT-qPCR developed to detect the three primary viral agents of BRD and the first multiplex designed using locked nucleic acid (LNA), minor groove binding (MGB) and TaqMan probes in one reaction mix. This test was more sensitive than both VI and IFAT and can replace the aforesaid methods for virus detection during outbreaks of BRD.

  9. The use of real-time PCR to study Penicillium chrysogenum growth kinetics on solid food at different water activities.

    Science.gov (United States)

    Arquiza, J M R Apollo; Hunter, Jean

    2014-09-18

    Fungal growth on solid foods can make them unfit for human consumption, but certain specialty foods require fungi to produce their characteristic properties. In either case, a reliable way of measuring biomass is needed to study how various factors (e.g. water activity) affect fungal growth rates on these substrates. Biochemical markers such as chitin, glucosamine or ergosterol have been used to estimate fungal growth, but they cannot distinguish between individual species in mixed culture. In this study, a real-time polymerase chain reaction (rt-PCR) protocol specific for a target fungal species was used to quantify its DNA while growing on solid food. The measured amount of DNA was then related to the biomass present using an experimentally determined DNA-to-biomass ratio. The highly sensitive rt-PCR biomass assay was found to have a wide range, able to quantify the target DNA within a six orders-of-magnitude difference. The method was used to monitor germination and growth of Penicillium chrysogenum spores on a model porous food (cooked wheat flour) at 25°C and different water activities of 0.973, 0.936, and 0.843. No growth was observed at 0.843, but lag, exponential and stationary phases were identified in the growth curves for the higher water activities. The calculated specific growth rates (μ) during the exponential phase were almost identical, at 0.075/h and 0.076/h for aw=0.973 and 0.936, respectively. The specificity of the method was demonstrated by measuring the biomass of P. chrysogenum while growing together with Aspergillus niger on solid media at aw=0.973. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. Dehydrogenation kinetics of pure and nickel-doped magnesium hydride investigated by in situ time-resolved powder X-ray diffraction

    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...

  11. Time-dependent flux from pulsed neutrons revealed by superconducting Nb current-biased kinetic inductance detector with 10B converter operated at 4 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 10 B 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 10 B 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)

  12. Receptor binding kinetics equations: Derivation using the Laplace transform method.

    Science.gov (United States)

    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

  13. One-step multiplex real time RT-PCR for the detection of bovine respiratory syncytial virus, bovine herpesvirus 1 and bovine parainfluenza virus 3

    Directory of Open Access Journals (Sweden)

    Thonur Leenadevi

    2012-03-01

    Full Text Available Abstract Background Detection of respiratory viruses in veterinary species has traditionally relied on virus detection by isolation or immunofluorescence and/or detection of circulating antibody using ELISA or serum neutralising antibody tests. Multiplex real time PCR is increasingly used to diagnose respiratory viruses in humans and has proved to be superior to traditional methods. Bovine respiratory disease (BRD is one of the most common causes of morbidity and mortality in housed cattle and virus infections can play a major role. We describe here a one step multiplex reverse transcriptase quantitative polymerase chain reaction (mRT-qPCR to detect the viruses commonly implicated in BRD. Results A mRT-qPCR assay was developed and optimised for the simultaneous detection of bovine respiratory syncytial virus (BRSV, bovine herpes virus type 1 (BoHV-1 and bovine parainfluenza virus type 3 (BPI3 i & ii nucleic acids in clinical samples from cattle. The assay targets the highly conserved glycoprotein B gene of BoHV-1, nucleocapsid gene of BRSV and nucleoprotein gene of BPI3. This mRT-qPCR assay was assessed for sensitivity, specificity and repeatability using in vitro transcribed RNA and recent field isolates. For clinical validation, 541 samples from clinically affected animals were tested and mRT-qPCR result compared to those obtained by conventional testing using virus isolation (VI and/or indirect fluorescent antibody test (IFAT. Conclusions The mRT-qPCR assay was rapid, highly repeatable, specific and had a sensitivity of 97% in detecting 102 copies of BRSV, BoHV-1 and BPI3 i & ii. This is the first mRT-qPCR developed to detect the three primary viral agents of BRD and the first multiplex designed using locked nucleic acid (LNA, minor groove binding (MGB and TaqMan probes in one reaction mix. This test was more sensitive than both VI and IFAT and can replace the aforesaid methods for virus detection during outbreaks of BRD.

  14. Fully Kinetic Ion Models for Magnetized Plasma Simulations

    Science.gov (United States)

    Sturdevant, Benjamin J.

    This thesis focuses on the development of simulation models, based on fully resolving the gyro-motion of ions with the Lorentz force equations of motion, for studying low-frequency phenomena in well-magnetized plasma systems. Such models, known as fully kinetic ion models, offer formal simplicity over higher order gyrokinetic ion models and may provide an important validation tool or replacement for gyrokinetic ion models in applications where the gyrokinetic ordering assumptions are in question. Methods for dealing with the added difficulty of resolving the short time scales associated with the ion gyro-motion in fully kinetic ion models are explored with the use of graphics processing units (GPUs) and advanced time integration algorithms, including sub-cycling, orbit averaging and variational integrators. Theoretical work is performed to analyze the effects of the ion Bernstein modes, which are known to cause difficulties in simulations based on fully kinetic ion models. In addition, the first simulation results for the ion temperature gradient driven instability in toroidal geometry using a fully kinetic ion model are presented. Finally, during the course of this work, a method for analyzing the effects of a finite time step size and spatial grid in the delta-f approach to the particle-in-cell method was developed for the first time. This method was applied to an implicit time integration scheme and has revealed some unusual numerical properties related to the delta-f method.

  15. Comparative real-time kinetic analysis of human complement killing of Leishmania infantum promastigotes derived from axenic culture or from Phlebotomus perniciosus.

    Science.gov (United States)

    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.

  16. Effective-field theory for dynamic phase diagrams of the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field

    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.

  17. Effective-field theory for dynamic phase diagrams of the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field

    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

  18. Effect of pretreatment severity in continuous steam explosion on enzymatic conversion of wheat straw: Evidence from kinetic analysis of hydrolysis time courses.

    Science.gov (United States)

    Monschein, Mareike; Nidetzky, Bernd

    2016-01-01

    Focusing on continuous steam explosion, the influence of pretreatment severity due to varied acid loading on hydrolysis of wheat straw by Trichoderma reesei cellulases was investigated based on kinetic evaluation of the saccharification of each pretreated substrate. Using semi-empirical descriptors of the hydrolysis time course, key characteristics of saccharification efficiency were captured in a quantifiable fashion. Not only hydrolysis rates per se, but also the transition point of their bi-phasic decline was crucial for high saccharification degree. After 48h the highest saccharification was achieved for substrate pretreated at relatively low severity (1.2% acid). Higher severity increased enzyme binding to wheat straw, but reduced the specific hydrolysis rates. Higher affinity of the lignocellulosic material for cellulases does not necessarily result in increased saccharification, probably because of lignin modifications occurring at high pretreatment severities. At comparable severity, continuous pretreatment produced a substrate more susceptible to enzymatic hydrolysis than the batch process. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. Retrieval of Kinetic Temperature and Carbon Dioxide Abundance from Non-Local Thermodynamic Equilibrium Limb Emission Measurements made by the SABER Experiment on the TIMED Satellite

    Science.gov (United States)

    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.

  20. 'Self-consistent' production of ion conics on return current region auroral field lines - A time-dependent, semi-kinetic model

    Science.gov (United States)

    Brown, David G.; Wilson, Gordon R.; Horwitz, James L.; Gallagher, Dennis L.

    1991-01-01

    We describe initial results from a time-dependent, semi-kinetic model of plasma outflow incorporating wave-particle interactions along current-carrying auroral field lines. Electrostatic waves are generated by the current driven ion cyclotron instability (CDICI), causing perpendicular velocity diffusion of ions plus electron heating via anomalous resistivity when and where the relative drift between electrons and ions exceeds certain critical velocities. Using the local bulk parameters we calculate these critical velocities, and so are able to self-consistently switch on and off the heating of the various particle species. Due to the dependence of these critical velocities on the bulk parameters of the species the heating effects exhibit quite complex spatial and temporal variations. A wide range of ion distribution functions are observed in these simulations, including conics with energies of a few electron volts and 'ring' distributions. The rings are seen to be a natural result of transverse heating and velocity filter effects and do not require coherent acceleration processes. We also observe the formation of a density depletion in hydrogen and enhanced oxygen densities at high altitudes.

  1. A kinetic-based sigmoidal model for the polymerase chain reaction and its application to high-capacity absolute quantitative real-time PCR

    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

  2. Optimized time-resolved imaging of contrast kinetics (TRICKS) in dynamic contrast-enhanced MRI after peptide receptor radionuclide therapy in small animal tumor models.

    Science.gov (United States)

    Haeck, Joost; Bol, Karin; Bison, Sander; van Tiel, Sandra; Koelewijn, Stuart; de Jong, Marion; Veenland, Jifke; Bernsen, Monique

    2015-01-01

    Anti-tumor efficacy of targeted peptide-receptor radionuclide therapy (PRRT) relies on several factors, including functional tumor vasculature. Little is known about the effect of PRRT on tumor vasculature. With dynamic contrast-enhanced (DCE-) MRI, functional vasculature is imaged and quantified using contrast agents. In small animals DCE-MRI is a challenging application. We optimized a clinical sequence for fast hemodynamic acquisitions, time-resolved imaging of contrast kinetics (TRICKS), to obtain DCE-MRI images at both high spatial and high temporal resolution in mice and rats. Using TRICKS, functional vasculature was measured prior to PRRT and longitudinally to investigate the effect of treatment on tumor vascular characteristics. Nude mice bearing H69 tumor xenografts and rats bearing syngeneic CA20948 tumors were used to study perfusion following PRRT administration with (177) lutetium octreotate. Both semi-quantitative and quantitative parameters were calculated. Treatment efficacy was measured by tumor-size reduction. Optimized TRICKS enabled MRI at 0.032 mm(3) voxel size with a temporal resolution of less than 5 s and large volume coverage, a substantial improvement over routine pre-clinical DCE-MRI studies. Tumor response to therapy was reflected in changes in tumor perfusion/permeability parameters. The H69 tumor model showed pronounced changes in DCE-derived parameters following PRRT. The rat CA20948 tumor model showed more heterogeneity in both treatment outcome and perfusion parameters. TRICKS enabled the acquisition of DCE-MRI at both high temporal resolution (Tres ) and spatial resolutions relevant for small animal tumor models. With the high Tres enabled by TRICKS, accurate pharmacokinetic data modeling was feasible. DCE-MRI parameters revealed changes over time and showed a clear relationship between tumor size and Ktrans . Copyright © 2015 John Wiley & Sons, Ltd.

  3. Availability of a pediatric trauma center in a disaster surge decreases triage time of the pediatric surge population: a population kinetics model

    Directory of Open Access Journals (Sweden)

    Grikscheit Tracy C

    2011-10-01

    Full Text Available Abstract Background The concept of disaster surge has arisen in recent years to describe the phenomenon of severely increased demands on healthcare systems resulting from catastrophic mass casualty events (MCEs such as natural disasters and terrorist attacks. The major challenge in dealing with a disaster surge is the efficient triage and utilization of the healthcare resources appropriate to the magnitude and character of the affected population in terms of its demographics and the types of injuries that have been sustained. Results In this paper a deterministic population kinetics model is used to predict the effect of the availability of a pediatric trauma center (PTC upon the response to an arbitrary disaster surge as a function of the rates of pediatric patients' admission to adult and pediatric centers and the corresponding discharge rates of these centers. We find that adding a hypothetical pediatric trauma center to the response documented in an historical example (the Israeli Defense Forces field hospital that responded to the Haiti earthquake of 2010 would have allowed for a significant increase in the overall rate of admission of the pediatric surge cohort. This would have reduced the time to treatment in this example by approximately half. The time needed to completely treat all children affected by the disaster would have decreased by slightly more than a third, with the caveat that the PTC would have to have been approximately as fast as the adult center in discharging its patients. Lastly, if disaster death rates from other events reported in the literature are included in the model, availability of a PTC would result in a relative mortality risk reduction of 37%. Conclusions Our model provides a mathematical justification for aggressive inclusion of PTCs in planning for disasters by public health agencies.

  4. Physisorption kinetics

    CERN Document Server

    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...

  5. Part I. Evaluation of thermodynamic and kinetic parameters for electron transfer and following chemical reaction from a global analysis of current-potential-time data. Part II. Electro-catalytic detection in high-performance liquid chromatography of vitamin B[sub 12] and other molecules of biological and environmental interest

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, V.T.

    1992-01-01

    Simultaneous evaluation of electron transfer rate constant, k[sup 0], following chemical reaction rate constant, k[sub f], electron transfer coefficient, [alpha] and standard potential, E[sup 0][prime] for an electrochemical reaction following the EC mechanism is described. A mathematical model for the current response to a potential step is developed, starting with the Butler-Volmer equation for electrode kinetics and concentration expressions for the redox couple. The resulting integral equations are solved numerically via the Step Function method. Current-potential and current-time curves are simulated and tested under limiting conditions. The four parameters of the system are evaluated by fitting simulated current-voltage-time (i-E-t) surface to the theoretical equation. The method is applied to study an important biological molecule, viz., methyl cobalamin, in DMSO. Included in the discussion part is the use of kinetic zone diagrams to depict chronoamperometric current response as a function of dimensionless rate constants for the EC reaction scheme. This compact display of the influence of the two rate constants on current in all time windows can be used to select the best data for analysis. Theoretical limits of measurable rate constants can be estimated from the zone diagram. The development of a dropping mercury electrode detector for High Performance Liquid Chromatography (HPLC) and its application to analysis of B[sub 12] and other vitamins is described. This EC detector is able to achieve high levels of sensitivity by exploiting the catalytic hydrogen evolution undergone by many nitrogenous organic molecules. Vitamin B[sub 12], thiamine, riboflavin and niacinamide were analyzed individually and in mixtures on reverse phase C18 column. Preliminary results from the analysis of commercial multivitamin preparations are also discussed.

  6. Butia Yatay coconut oil: Process development for biodiesel production and kinetics of esterification with ethanol

    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

  7. 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.

  8. Stochastic optimization-based study of dimerization kinetics

    Indian Academy of Sciences (India)

    Abstract. We investigate the potential of numerical algorithms to decipher the kinetic parameters involved in multi-step chemical reactions. To this end, we study dimerization kinetics of protein as a model system. We follow the dimerization kinetics using a stochastic simulation algorithm and combine it with three different.

  9. Stepping Stone Mobility.

    OpenAIRE

    Jovanovic, B.; Nyarko, Y.

    1996-01-01

    People at the top of an occupational ladder earn more partly because they have spent time on lower rungs, where they have learned something. But what precisely do they learn? There are two contrasting views: First, the Bandit model assumes that people are different, that experience reveals their characteristics, and that consequently an occupational switch can result. Second, in our Stepping Stone model, experience raises a worker's productivity on a given task and the acquired skill can in p...

  10. Three steps ahead

    OpenAIRE

    Heller, Yuval

    2012-01-01

    We study a variant of the repeated Prisoner's Dilemma with uncertain horizon, in which each player chooses his foresight ability: that is, the timing in which he is informed about the realized length of the interaction. In addition, each player has an independent probability to observe the opponent's foresight ability. We show that if this probability is not too close to zero or one, then the game admits an evolutionarily stable strategy, in which agents who look one step ahead and agents who...

  11. Detection of Live Salmonella enterica in Fresh-cut Vegetables by a TaqMan-Based One-Step Reverse Transcription Real-Time PCR.

    Science.gov (United States)

    Miao, Yingjie; Xiong, Guotong; Bai, Mengyang; Ge, Ying; Wu, Zufang

    2018-02-28

    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 ml -1 (about 100 copies tmRNA ml -1 ) by assessed 10-fold serially diluted RNA from 10 6 CFU ml -1 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 g -1 for fresh-cut lettuce, cilantro, spinach, cabbage, Chinese cabbage and bell pepper, and 10 2 CFU g -1 for other vegetables. With a 6-h enrichment, this assay could detect 10 CFU g -1 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. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  12. Effects of hydraulic retention time on aerobic granulation and granule growth kinetics at steady state with a fast start-up strategy.

    Science.gov (United States)

    Liu, Yong-Qiang; Zhang, Xing; Zhang, Rui; Liu, Wen-Tso; Tay, Joo-Hwa

    2016-01-01

    A hydraulic retention time (HRT) of 4, 6, and 8 h was employed, respectively, in three reactors to study the effects of HRT on granulation with a newly developed fast granulation strategy, i.e., a strategy by combining strong hydraulic selection pressure with high organic loading rate (OLR). Granules with clear boundary appeared within 24 h after reactor start-up and all reactors reached a pseudo steady state after 6-day operation. A 4-h HRT resulted in a relatively higher increasing rate in terms of granule size during granule development period, i.e., 208 μm day(-1), and the bigger granule size and the higher sludge volume index at the pseudo steady state. For HRT of 6 or 8 h, no obvious difference was observed. However, it was found that HRT influenced sludge retention time (SRT) and kinetics significantly. A HRT changing from 4 to 8 h led to an increased SRT from 3 to 21 days, a decreased observed specific biomass growth rate (μ obs) and an decreased observed biomass yield (Y obs) of stable granules from 0.37 to 0.062 days(-1), and 0.177 to 0.055 g MLVSS g(-1) COD, respectively. Both μ obs and Y obs had a linear relationship with the reciprocal of HRT. In addition, the great difference of microbial community between seed sludge, sludge retained in the reactors, and sludge washed out indicated a strong microbial selection for fast granulation within 24 h. However, during the granule development period from day 1 to 6, no more microbial selection was observed except an adjustment of microbial community. Little influence of HRT on microbial population in granular sludge indicated a minor role of HRT played for granulation with the fast start-up strategy adopted in this study. The results demonstrated that hydraulic selection pressure for granulation was mainly from short settling time, which led to strong microbial selection during the granulation period. Meanwhile, although HRT did not affect granulation with the fast start-up strategy, it played an

  13. Focal cryotherapy: step by step technique description.

    Science.gov (United States)

    Redondo, Cristina; Srougi, Victor; da Costa, José Batista; Baghdad, Mohammed; Velilla, Guillermo; Nunes-Silva, Igor; Bergerat, Sebastien; Garcia-Barreras, Silvia; Rozet, François; Ingels, Alexandre; Galiano, Marc; Sanchez-Salas, Rafael; Barret, Eric; Cathelineau, Xavier

    2017-01-01

    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. We present the case of a 68 year-old man with localized PCa in the anterior aspect of the prostate. The procedure is performed under general anesthesia, with the patient in lithotomy position. Briefly, the equipament 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 (-40ºC) 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). 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. Copyright® by the International Brazilian Journal of Urology.

  14. 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.

  15. Investigation to biodiesel production by the two-step homogeneous base-catalyzed transesterification.

    Science.gov (United States)

    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.

  16. Growth kinetics of lipid-based nanodiscs to unilamellar vesicles-a time-resolved small angle neutron scattering (SANS) study.

    Science.gov (United States)

    Mahabir, Suanne; Small, Darcy; Li, Ming; Wan, Wankei; Kučerka, Norbert; Littrell, Kenneth; Katsaras, John; Nieh, Mu-Ping

    2013-03-01

    Mixtures of dimyristoyl-phosphatidylcholine (DMPC), dimyristoyl-phosphatidylglycerol (DMPG) and dihexanoyl-phosphatidylcholine (DHPC) in aqueous solutions spontaneously form monodisperse, bilayered nanodiscs (also known as "bicelles") at or below the melting transition temperature of DMPC (T(M) ~23°C). In dilute systems above the main transition temperature T(M) of DMPC, bicelles coalesce (increasing their diameter) and eventually self-fold into unilamellar vesicles (ULVs). Time-resolved small angle neutron scattering was used to study the growth kinetics of nanodiscs below and equal to T(M) over a period of hours as a function of temperature at two lipid concentrations in presence or absence of NaCl salt. Bicelles seem to undergo a sudden initial growth phase with increased temperature, which is then followed by a slower reaction-limited growth phase that depends on ionic strength, lipid concentration and temperature. The bicelle interaction energy was derived from the colloidal theory of Derjaguin and Landau, and Verwey and Overbeek (DLVO). While the calculated total energy between discs is attractive and proportional to their growth rate, a more detailed mechanism is proposed to describe the mechanism of disc coalescence. After annealing at low temperature (low-T), samples were heated to 50°C in order to promote the formation of ULVs. Although the low-T annealing of samples has only a marginal effect on the mean size of end-state ULVs, it does affect their polydispersity, which increases with increased T, presumably driven by the entropy of the system. Published by Elsevier B.V.

  17. A Compact Tandem Two-Step Laser Time-of-Flight Mass Spectrometer for In Situ Analysis of Non-Volatile Organics on Planetary Surfaces

    Science.gov (United States)

    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.

  18. 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)

  19. Time-resolved measurements of laser-induced diffusion of CO molecules on stepped Pt(111)-surfaces; Zeitaufgeloeste Untersuchung der laser-induzierten Diffusion von CO-Molekuelen auf gestuften Pt(111)-Oberflaechen

    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.)

  20. Numerical nodal simulation of the axial power distribution within nuclear reactors using a kinetics diffusion model. I

    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)

  1. A new method to characterize the kinetics of cholinesterases inhibited by carbamates.

    Science.gov (United States)

    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.

  2. Hydrogen exchange dynamics of the P22 virion determined by time-resolved Raman spectroscopy. Effects of chromosome packaging on the kinetics of nucleotide exchanges.

    Science.gov (United States)

    Reilly, K E; Thomas, G J

    1994-08-05

    We describe the application of laser Raman spectroscopy to probe hydrogen isotope exchange dynamics of nucleic acid and protein constituents in a double-stranded DNA virus, the icosahedral bacteriophage P22. The Raman dynamic method employs a dialysis flow cell to control D2O efflux into an H2O solution of the virus sample while the rates of deuterium exchange of protons in the viral nucleic acid and protein molecules are measured spectrophotometrically in real time. The method provides structural and kinetic information about three different and distinct classes of exchangeable protons of the native virion: (1) labile imino (NH) and amino (NH2) protons of the bases which participate in Watson-Crick hydrogen bonding in the packaged genome; (2) pseudolabile purinic (8CH) protons that line the major groove of packaged P22 DNA; and (3) main-chain amide (NH) protons of viral subunits comprising the shell that encapsidates the DNA. The results obtained on P22 demonstrate that interchange of aqueous solvent with the virion interior is rapid and complete. We find that while labile protons of packaged DNA exchange rapidly, most amide protons in capsid subunits are resistant to solvent-catalyzed exchange. Further, stereospecific retardation of exchange is observed for major-groove protons of the packaged P22 genome. The quantitative measurements can be summarized and interpreted as follows. (1) Imino and amino protons of all bases in packaged P22 DNA exchange more rapidly (approximately 2-fold faster) than the corresponding protons in unpackaged P22 DNA. Remarkably, packaging actually accelerates labile imino and amino hydrogen exchanges of the viral DNA, an effect which can be attributed to selective stabilization in the packaged chromosome of a base-pair open state (breathing model). (2) Conversely, purine 8CH exchange rates in packaged P22 DNA are significantly retarded in comparison to those of unpackaged P22 DNA. The observed 8CH exchange retardation effects are

  3. Developments in bile acid kinetic measurements using C-13 and H-2 : 10(5) times improved sensitivity during the last 40 years

    NARCIS (Netherlands)

    Stellaard, Frans; Brufau, Gemma; Boverhof, Renze; Jonkers, Elles Zwanet; Boer, Theo; Kuipers, Folkert

    2009-01-01

    Bile acid kinetics involve the measurement of pool sizes and turnover rates of individual bile acids. The technique is based on isotope dilution and was first described in the 1950s using radioactive C-14-labelled cholic acid (CA). It took until the 1970s before stable isotopes were introduced for

  4. Optimization of one-step real-time PCR for the X-tail target of HCV as a diagnostic test

    Directory of Open Access Journals (Sweden)

    Franciéli Pedrotti Rozales

    2014-07-01

    Full Text Available Infection with hepatitis C virus (HCV is a global public health issue. The bloodborne nature of HCV transmission poses a substantial risk to healthcare workers, due to occupational exposure to needlestick injuries and blood and other body fluids containing the virus. Undiagnosed HCV infection, including in healthcare workers, represents a growing problem worldwide as the infected population ages, and HCV-related mortality and morbidity is expected to rise substantially over the coming decades. Consequently, diagnostic tests for HCV play an important role in this scenario. The aim of this study was to standardize a one-step RT-PCR assay for detection of HCV. The test demonstrated reproducibility, sensibility (100%, and the limit of detection was set at 100IU/mL. Our study indicates that this assay can be used as a diagnostic tool to follow up healthcare workers after occupational exposure.

  5. Modeling and Elucidation of the Kinetics of Multiple Consecutive Photoreactions AB4(4Φ) With Φ-order Kinetics. Application to the Photodegradation of Riboflavin.

    Science.gov (United States)

    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.

  6. Rapid detection and quantification of Ebola Zaire virus by one-step real-time quantitative reverse transcription-polymerase chain reaction.

    Science.gov (United States)

    Ro, Young-Tae; Ticer, Anysha; Carrion, Ricardo; Patterson, Jean L

    2017-04-01

    Given that Ebola virus causes severe hemorrhagic fever in humans with mortality rates as high as 90%, rapid and accurate detection of this virus is essential both for controlling infection and preventing further transmission. Here, a one-step qRT-PCR assay for rapid and quantitative detection of an Ebola Zaire strain using GP, VP24 or VP40 genes as a target is introduced. Routine assay conditions for hydrolysis probe detection were established from the manufacturer's protocol used in the assays. The analytical specificity and sensitivity of each assay was evaluated using in vitro synthesized viral RNA transcripts. The assays were highly specific for the RNA transcripts, no cross-reactivity being observed among them. The limits of detection of the assays ranged from 10 2 to 10 3 copies per reaction. The assays were also evaluated using viral RNAs extracted from cell culture-propagated viruses (Ebola Zaire, Sudan and Reston strains), confirming that they are gene- and strain-specific. The RT-PCR assays detected viral RNAs in blood samples from virus-infected animal, suggesting that they can be also a useful method for identifying Ebola virus in clinical samples. © 2017 The Societies and John Wiley & Sons Australia, Ltd.

  7. An Efficient, Scalable Time-Frequency Method for Tracking Energy Usage of Domestic Appliances Using a Two-Step Classification Algorithm

    Directory of Open Access Journals (Sweden)

    Paula Meehan

    2014-10-01

    Full Text Available Load monitoring is the practice of measuring electrical signals in a domestic environment in order to identify which electrical appliances are consuming power. One reason for developing a load monitoring system is to reduce power consumption by increasing consumers’ awareness of which appliances consume the most energy. Another example of an application of load monitoring is activity sensing in the home for the provision of healthcare services. This paper outlines the development of a load disaggregation method that measures the aggregate electrical signals of a domestic environment and extracts features to identify each power consuming appliance. A single sensor is deployed at the main incoming power point, to sample the aggregate current signal. The method senses when an appliance switches ON or OFF and uses a two-step classification algorithm to identify which appliance has caused the event. Parameters from the current in the temporal and frequency domains are used as features to define each appliance. These parameters are the steady-state current harmonics and the rate of change of the transient signal. Each appliance’s electrical characteristics are distinguishable using these parameters. There are three Types of loads that an appliance can fall into, linear nonreactive, linear reactive or nonlinear reactive. It has been found that by identifying the load type first and then using a second classifier to identify individual appliances within these Types, the overall accuracy of the identification algorithm is improved.

  8. The way to collisions, step by step

    CERN Multimedia

    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.

  9. Kinetic distance and kinetic maps from molecular dynamics simulation.

    Science.gov (United States)

    Noé, Frank; Clementi, Cecilia

    2015-10-13

    Characterizing macromolecular kinetics from molecular dynamics (MD) simulations requires a distance metric that can distinguish slowly interconverting states. Here, we build upon diffusion map theory and define a kinetic distance metric for irreducible Markov processes that quantifies how slowly molecular conformations interconvert. The kinetic distance can be computed given a model that approximates the eigenvalues and eigenvectors (reaction coordinates) of the MD Markov operator. Here, we employ the time-lagged independent component analysis (TICA). The TICA components can be scaled to provide a kinetic map in which the Euclidean distance corresponds to the kinetic distance. As a result, the question of how many TICA dimensions should be kept in a dimensionality reduction approach becomes obsolete, and one parameter less needs to be specified in the kinetic model construction. We demonstrate the approach using TICA and Markov state model (MSM) analyses for illustrative models, protein conformation dynamics in bovine pancreatic trypsin inhibitor and protein-inhibitor association in trypsin and benzamidine. We find that the total kinetic variance (TKV) is an excellent indicator of model quality and can be used to rank different input feature sets.

  10. Solution of reactor kinetics problems using sparse matrix techniques in an ODE integrator for stiff equations

    International Nuclear Information System (INIS)

    Carver, M.B.; Baudouin, A.P.

    1976-01-01

    The algorithm due to Gear is recognized as one of the best available integration routines, permitting large time steps while maintaining acceptable error tolerance and stability. The method is implicit, requiring a matrix solution involving the Jacobian. This has hitherto required excessive storage for large equation systems (>100 equations). The algorithm has been used for the solution of small systems involving neutron kinetics, and encouraging results motivated an investigation of the application of sparse matrix techniques to the matrix manipulation within the algorithm. The resulting routines handle large systems of equations very efficiently. Part 1 of this paper describes these new routines, and Part 2 discusses their application to neutron kinetics. (author)

  11. Kinetics and Statistical Behaviour of Iron Recovery from Red Mud using Plasma Arc Furnace

    Science.gov (United States)

    Rath, Swagat S.; Jayasankar, K.; Satapathy, Bijoy K.; Mishra, Barada K.; Mukherjee, Partha S.

    2011-06-01

    Study of the recovery of pig iron from dry red mud through plasma smelting has been done. The reductant used was graphite. Various fluxes were used for the formation of slag. The parameters varied were smelting time, basicity and concentration of reductant and fluxes. It was observed that the reduction kinetics improved progressively with the increase of all the variables up to certain level and on further increase the metal recovery decreased. The results were interpreted kinetically and rate determining step was evaluated. Multi Linear Regression Analysis studies were carried out. The variables were subjected to Principal Component Analysis. Four factors could explain 75.4% of the variables.

  12. Time extrapolation of radiolytic degradation product kinetics: the case of polyurethane; Extrapolation dans le temps des cinetiques de production des produits de degradation radiolytique: application a un polyurethane

    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)

  13. Summary of Adsorption Capacity and Adsorption Kinetics of Uranium and Other Elements on Amidoxime-based Adsorbents from Time Series Marine Testing at the Pacific Northwest National Laboratory

    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

  14. Calculated capacity for solar heating systems with various time-steps for meteorologicl data; Beregnede ydelser for solvarmeanlaeg med forskellige tidsskridt for vejrdata

    Energy Technology Data Exchange (ETDEWEB)

    Furbo, S.; Shah, L.J.

    1996-12-31

    With regard to solar heating systems, evaluated data on solar radiation at different angles, at various months or lengths of time ( such as 5 minutes or 60 minutes) are given to illustrate capacity. Recently a design reference year (DRY) for Denmark, including 5 minute periods throughout one year giving values for direct horizontal solar radiation, has been developed. All other weather data, also diffuse radiation, are given in DRY as time values throughout the year. This is expected to be of greater advantage in calculating the capacity of solar heating systems than TRY. (ARW)

  15. Factors Associated with Objectively Measured Physical Activity and Sedentary Time of 5-6-Year-Old Children in the STEPS Study

    Science.gov (United States)

    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…

  16. 20 CFR 655.1114 - Element IV-What are the timely and significant steps an H-1C employer must take to recruit and...

    Science.gov (United States)

    2010-04-01

    ... accredited community college (leading to an associate's degree), 4-year college (a bachelor's degree), or... 20 Employees' Benefits 3 2010-04-01 2010-04-01 false Element IV-What are the timely and... Employees' Benefits EMPLOYMENT AND TRAINING ADMINISTRATION, DEPARTMENT OF LABOR TEMPORARY EMPLOYMENT OF...

  17. Behavioural repertoire of working donkeys and consistency of behaviour over time, as a preliminary step towards identifying pain-related behaviours.

    Directory of Open Access Journals (Sweden)

    Fran H Regan

    Full Text Available 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 (P<0.001. Level head carriage, licking/chewing and head-shaking were observed more frequently in female donkeys (P<0.001. Tail position, ear orientation, foot stamping, rolling/lying and head-shaking behaviours were affected by time of day (P<0.001. However, only two variations in ear orientation were found to be significantly different over the two days of observations (P<0.001. Tail swishing, head shaking, foot stamping, and ears held sideways and downwards were significantly correlated (P<0.001 and are assumed to be behaviours to discourage flies.All donkeys expressed an extensive behavioural repertoire, although some differences in behaviour were evident between genders. While most behaviours were consistent over time, some behaviours were influenced by time of day. Few behaviours differed between the two test days. The findings can be used to inform the development of a robust, evidence-based ethogram for working donkeys.

  18. Development of one-step SYBR Green real-time RT-PCR for quantifying bovine viral diarrhea virus type-1 and its comparison with conventional RT-PCR

    Directory of Open Access Journals (Sweden)

    Lou Sai

    2011-07-01

    Full Text Available Abstract Background Bovine viral diarrhea virus (BVDV is a worldwide pathogen in cattle and acts as a surrogate model for hepatitis C virus (HCV. One-step real-time fluorogenic quantitative reverse transcription polymerase chain reaction (RT-PCR assay based on SYBR Green I dye has not been established for BVDV detection. This study aims to develop a quantitative one-step RT-PCR assay to detect BVDV type-1 in cell culture. Results One-step quantitative SYBR Green I RT-PCR was developed by amplifying cDNA template from viral RNA and using in vitro transcribed BVDV RNA to establish a standard curve. The assay had a detection limit as low as 100 copies/ml of BVDV RNA, a reaction efficiency of 103.2%, a correlation coefficient (R2 of 0.995, and a maximum intra-assay CV of 2.63%. It was 10-fold more sensitive than conventional RT-PCR and can quantitatively detect BVDV RNA levels from 10-fold serial dilutions of titrated viruses containing a titer from 10-1 to 10-5 TCID50, without non-specific amplification. Melting curve analysis showed no primer-dimers and non-specific products. Conclusions The one-step SYBR Green I RT-PCR is specific, sensitive and reproducible for the quantification of BVDV in cell culture. This one-step SYBR Green I RT-PCR strategy may be further optimized as a reliable assay for diagnosing and monitoring BVDV infection in animals. It may also be applied to evaluate candidate agents against HCV using BVDV cell culture model.

  19. Hydrogen electrode reaction: A complete kinetic description

    International Nuclear Information System (INIS)

    Quaino, P.M.; Gennero de Chialvo, M.R.; Chialvo, A.C.

    2007-01-01

    The kinetic description of the hydrogen electrode reaction (HER) in the whole range of overpotentials (-0.2 < η (V) < 0.40) is presented. The Volmer-Heyrovsky-Tafel mechanism was solved considering simultaneously the following items: (i) the diffusional contribution of the molecular hydrogen from and towards the electrode surface, (ii) the forward and backward reaction rates of each elementary step and (iii) a Frumkin type adsorption for the reaction intermediate. In order to verify the descriptive capability of the kinetic expressions derived, an experimental study of the HER was carried out on a rotating platinum disc electrode in acid solution. From the correlation of these results the elementary kinetic parameters were evaluated and several aspects related to the kinetic mechanism were discussed. Finally, the use of these kinetic expressions to interpret results obtained on microelectrodes is also analysed

  20. Real time tracing of the kinetic process of NO3, N2O5 and NO2 with VOCs by long optical pathlength absorption spectroscopy

    Science.gov (United States)

    YI, Hongming; Wu, Tao; Lauraguais, Amélie; Semenov, Vladimir; Coeur-Tourneur, Cecile; Fertein, Eric; Gao, Xiaoming; Chen, Weidong

    2014-05-01

    Nitrate radical (NO3) and dinitrogen pentoxide (N2O5, formed through the reaction of NO3 with NO2 and is a large reservoir for NO3) are two key intermediates components in atmospheric nitrogen chemistry [1]. They affect directly the oxidation capacity of the atmosphere through reaction of NO3 with volatile organic compounds (VOCs). It's highly desirable to be able to perform in-situ, simultaneous and continuous monitoring of NO3 and N2O5 concentrations with high selectivity and fast response time. N2O5 is usually indirectly measured via optical measurement of NO3 after thermal dissociation of N2O5 to NO3 [2]. In this paper, we report on the recent development and application of optical method for in situ direct concentration measurements of NO3 and N2O5 in smog chamber. NO3 (as well as NO2) were simultaneously measured by open-path incoherent broadband cavity enhanced absorption spectroscopy (IBBCEAS) [3] based on a light emitted diode operating in the range of 635-675 nm, and N2O5 was monitored by means of open-path multi-pass absorption spectroscopy of an external cavity quantum cascade laser tunable from 1223 to 1263 cm-1 (~8 µm). Reaction of NO3 with VOCs (such as isoprene, formaldehyde, 2-methoxyphenal) as well as the equilibrium between NO3 and N2O5 during the VOCs oxidation by NO3 radical have been on-line traced with high temporal resolution: 1 s for NO3-NO2 and 25 s for N2O5. Experimental detail and preliminary results will be presented. Our present work demonstrated that modern photonic technologies can provide a direct and highly selective means for chemical kinetic study, for instance, bringing insight into reactive uptake for NO3 and N2O5 on the organic particles [4], which remain still unexplored with few exceptions. References [1] Paul S. Monks, "Gas-phase radical chemistry in the troposphere", Chem. Soc. Rev. 34 (2005) 376-395. [2] R.M. Varma, S.M. Ball, T. Brauers, H.-P. Dorn, U. Heitmann, R.L. Jones, U. Platt, D. Pöhler, A.A. Ruth, A

  1. On Computational Small Steps and Big Steps

    DEFF Research Database (Denmark)

    Johannsen, Jacob

    rules in the small-step semantics cause the refocusing step of the syntactic correspondence to be inapplicable. Second, we propose two solutions to overcome this in-applicability: backtracking and rule generalization. Third, we show how these solutions affect the other transformations of the two......We study the relationship between small-step semantics, big-step semantics and abstract machines, for programming languages that employ an outermost reduction strategy, i.e., languages where reductions near the root of the abstract syntax tree are performed before reductions near the leaves....... In particular, we investigate how Biernacka and Danvy’s syntactic correspondence and Reynolds’s functional correspondence can be applied to interderive semantic specifications for such languages. The main contribution of this dissertation is three-fold: First, we identify that backward overlapping reduction...

  2. Real Time Extraction Kinetics of Electro Membrane Extraction Verified by Comparing Drug Metabolism Profiles Obtained from a Flow-Flow Electro Membrane Extraction-Mass Spectrometry System with LC-MS.

    Science.gov (United States)

    Fuchs, David; Jensen, Henrik; Pedersen-Bjergaard, Stig; Gabel-Jensen, Charlotte; Hansen, Steen Honoré; Petersen, Nickolaj Jacob

    2015-06-02

    A simple to construct and operate, "dip-in" electromembrane extraction (EME) probe directly coupled to electrospray ionization-mass spectrometry (ESI-MS) for rapid extraction and real time analysis of various analytes was developed. The setup demonstrated that EME-MS can be used as a viable alternative to conventional protein precipitation followed by liquid chromatography-mass spectrometry (LC-MS) for studying drug metabolism. Comparison of EME-MS with LC-MS for drug metabolism analysis demonstrated for the first time that real time extraction of analytes by EME is possible. Metabolism kinetics were investigated for three different drugs: amitriptyline, promethazine, and methadone. By comparing the EME-MS extraction profiles of the drug substances and formed drug metabolites with the metabolism profiles obtained by conventional protein precipitation followed by LC-MS good correlation was obtained with only very limited time delay in the extraction. The results indicate that, by tuning the electromembrane properties, for example, by optimizing the extraction voltage, extremely fast extraction kinetics can be obtained. A metabolic profile could be generated while the drug was metabolized offering a significant time saving as compared to conventional LC-MS where laborious protein precipitation or other sample pretreatments are required before analysis. This makes the developed EME-MS setup a highly promising sample preparation method for various kinds of applications where fast and real-time analysis of analytes is of interest.

  3. IPMP Global Fit - A one-step direct data analysis tool for predictive microbiology.

    Science.gov (United States)

    Huang, Lihan

    2017-12-04

    The objective of this work is to develop and validate a unified optimization algorithm for performing one-step global regression analysis of isothermal growth and survival curves for determination of kinetic parameters in predictive microbiology. The algorithm is incorporated with user-friendly graphical interfaces (GUIs) to develop a data analysis tool, the USDA IPMP-Global Fit. The GUIs are designed to guide the users to easily navigate through the data analysis process and properly select the initial parameters for different combinations of mathematical models. The software is developed for one-step kinetic analysis to directly construct tertiary models by minimizing the global error between the experimental observations and mathematical models. The current version of the software is specifically designed for constructing tertiary models with time and temperature as the independent model parameters in the package. The software is tested with a total of 9 different combinations of primary and secondary models for growth and survival of various microorganisms. The results of data analysis show that this software provides accurate estimates of kinetic parameters. In addition, it can be used to improve the experimental design and data collection for more accurate estimation of kinetic parameters. IPMP-Global Fit can be used in combination with the regular USDA-IPMP for solving the inverse problems and developing tertiary models in predictive microbiology. Published by Elsevier B.V.

  4. An exponential integrator for the drift-kinetic model

    Science.gov (United States)

    Crouseilles, Nicolas; Einkemmer, Lukas; Prugger, Martina

    2018-03-01

    We propose an exponential integrator for the drift-kinetic equation in cylindrical geometry. This approach removes the CFL condition from the linear part of the system (which is often the most stringent requirement in practice) and treats the remainder explicitly using Arakawa's finite difference scheme. The present approach is mass conservative, up to machine precision, and significantly reduces the computational effort per time step. In addition, we demonstrate the efficiency of our method by performing numerical simulations in the context of the ion temperature gradient instability. In particular, we find that our numerical method can take time steps comparable to what has been reported in the literature for the (predominantly used) splitting approach. In addition, the proposed numerical method has significant advantages with respect to conservation of energy and efficient higher order methods can be obtained easily. We demonstrate this by investigating the performance of a fourth order implementation.

  5. Optimization of one-step real-time reverse transcription-polymerase chain reaction assays for norovirus detection and molecular epidemiology of noroviruses in Thailand.

    Science.gov (United States)

    Neesanant, Pimmnapar; Sirinarumitr, Theerapol; Chantakru, Siriruk; Boonyaprakob, Ukadaj; Chuwongkomon, Kaittawee; Bodhidatta, Ladaporn; Sethabutr, Orntipa; Abente, Eugenio J; Supawat, Krongkaew; Mason, Carl J

    2013-12-01

    Noroviruses (NoVs) are an important human pathogen associated with acute viral gastroenteritis worldwide. NoVs display a significant amount of genetic heterogeneity, making it difficult to develop comprehensive detection assays. In this study, primer sets and probes were designed for a TaqMan(®)-based real-time reverse transcription-polymerase chain reaction (RT-PCR) for norovirus detection purposes. The assay was optimized and utilized as a multiplex real-time RT-PCR assay for genogroup I (GI) detection, and a singleplex real-time RT-PCR assay for genogroup II (GII) detection. The assays showed high specificity for NoV detection and no cross-reactivity was observed between GI and GII. The detection limit of the assay was as low as 10 and 50 RNA copies per reaction for GI and GII, respectively. The optimized protocol was employed to assess the presence of NoV strains in clinical samples collected throughout Thailand during December 2005 to November 2006. The percentage of NoV infections among children with acute gastroenteritis (case) was 23.8% (119/500) and for children without acute gastroenteritis (control) it was 6.8% (30/441). The frequency of NoV infections varied geographically, with the highest frequency observed in the central region and the lowest frequency in the northern region (P>0.0001). Of the 149 positive case and control specimens, GII was found to be the predominant genogroup (98.6%). Partial capsid sequences were successfully obtained from 67 NoV-positive specimens and a phylogenetic analysis was performed to genotype the viral strains. GII.4 was the most common genotype detected. Copyright © 2013 The Authors. Published by Elsevier B.V. All rights reserved.

  6. Traffic safety and step-by-step driving licence for young people

    DEFF Research Database (Denmark)

    Tønning, Charlotte; Agerholm, Niels

    2017-01-01

    Young novice car drivers are much more accident-prone than other drivers - up to 10 times that of their parents' generation. A central solution to improve the traffic safety for this group is implementation of a step-by-step driving licence. A number of countries have introduced a step...... presents a review of safety effects from step-by-step driving licence schemes. Most of the investigated schemes consist of a step-by-step driving licence with Step 1) various tests and education, Step 2) a period where driving is only allowed together with an experienced driver and Step 3) driving without...... companion is allowed but with various restrictions and, in some cases, additional driving education and tests. In general, a step-by-step driving licence improves traffic safety even though the young people are permitted to drive a car earlier on. The effects from driving with an experienced driver vary...

  7. Real-time relationship between PKA biochemical signal network dynamics and increased action potential firing rate in heart pacemaker cells: Kinetics of PKA activation in heart pacemaker cells.

    Science.gov (United States)

    Yaniv, Yael; Ganesan, Ambhighainath; Yang, Dongmei; Ziman, Bruce D; Lyashkov, Alexey E; Levchenko, Andre; Zhang, Jin; Lakatta, Edward G

    2015-09-01

    cAMP-PKA protein kinase is a key nodal signaling pathway that regulates a wide range of heart pacemaker cell functions. These functions are predicted to be involved in regulation of spontaneous action potential (AP) generation of these cells. Here we investigate if the kinetics and stoichiometry of increase in PKA activity match the increase in AP firing rate in response to β-adrenergic receptor (β-AR) stimulation or phosphodiesterase (PDE) inhibition, that alters the AP firing rate of heart sinoatrial pacemaker cells. In cultured adult rabbit pacemaker cells infected with an adenovirus expressing the FRET sensor AKAR3, the EC50 in response to graded increases in the intensity of β-AR stimulation (by Isoproterenol) the magnitude of the increases in PKA activity and the spontaneous AP firing rate were similar (0.4±0.1nM vs. 0.6±0.15nM, respectively). Moreover, the kinetics (t1/2) of the increases in PKA activity and spontaneous AP firing rate in response to β-AR stimulation or PDE inhibition were tightly linked. We characterized the system rate-limiting biochemical reactions by integrating these experimentally derived data into a mechanistic-computational model. Model simulations predicted that phospholamban phosphorylation is a potent target of the increase in PKA activity that links to increase in spontaneous AP firing rate. In summary, the kinetics and stoichiometry of increases in PKA activity in response to a physiological (β-AR stimulation) or pharmacological (PDE inhibitor) stimuli match those of changes in the AP firing rate. Thus Ca(2+)-cAMP/PKA-dependent phosphorylation limits the rate and magnitude of increase in spontaneous AP firing rate. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. Equilibrium and kinetic studies on free cyanide adsorption from aqueous solution by activated carbon.

    Science.gov (United States)

    Behnamfard, Ali; Salarirad, Mohammad Mehdi

    2009-10-15

    Adsorption equilibrium and kinetics of free cyanide onto activated carbon were investigated in the batch tests, and the effects of contact time (1-72 h) and initial cyanide concentrations in the range of 102-532 mg/L were studied. Linear regression was used to determine the best fit of equilibrium and kinetics expressions. The two-parameter models including Freundlich, Dubinin-Radushkevich, Temkin and four different linearized forms of Langmuir and three-parameter models including Redlich-Peterson and Koble-Corrigan were employed for fitting the equilibrium data and it was found that, three-parameter models fitted the data better than the two-parameter models and among the three-parameter models the equilibrium data are best represented by Koble-Corrigan model. A number of kinetic models including fractional power, zero order, first order, pseudo-first order, Elovich, second order, intraparticle diffusion and four different linearized forms of pseudo-second order models were tested to fit the kinetic data. The latter was found to be consistent with the data. Intraparticle diffusion plots show that the adsorption process of free cyanide is a two steps process. In the first step, the adsorption of cyanide is fast while in the second step, cyanide adsorption slows down.

  9. Commissioning of the ArDM experiment at the Canfranc underground laboratory: first steps towards a tonne-scale liquid argon time projection chamber for Dark Matter searches

    Science.gov (United States)

    Calvo, J.; Cantini, C.; Crivelli, P.; Daniel, M.; Di Luise, S.; Gendotti, A.; Horikawa, S.; Montes, B.; Mu, W.; Murphy, S.; Natterer, G.; Nguyen, K.; Periale, L.; Quan, Y.; Radics, B.; Regenfus, C.; Romero, L.; Rubbia, A.; Santorelli, R.; Sergiampietri, F.; Viant, T.; Wu, S.

    2017-03-01

    The Argon Dark Matter (ArDM) experiment consists of a liquid argon (LAr) time projection chamber (TPC) sensitive to nuclear recoils, resulting from scattering of hypothetical Weakly Interacting Massive Particles (WIMPs) on argon targets. With an active target mass of 850 kg ArDM represents an important milestone towards developments for large LAr Dark Matter detectors. Here we present the experimental apparatus currently installed underground at the Laboratorio Subterráneo de Canfranc (LSC), Spain. We show data on gaseous or liquid argon targets recorded in 2015 during the commissioning of ArDM in single phase at zero E-field (ArDM Run I). The data confirms the overall good and stable performance of the ArDM tonne-scale LAr detector.

  10. Combined structural analysis and dating of authigenic/synkinematic illite: A step towards unravelling brittle faulting processes in time and space

    Science.gov (United States)

    Viola, Giulio

    2017-04-01

    Faulting accommodates momentous deformation and its style reflects the complex interplay of often transient processes such as friction, fluid flow and rheological changes within generally dilatant systems. Brittle faults are thus unique archives of the stress state and the physical and chemical conditions at the time of both initial strain localization and subsequent slip(s) during structural reactivation. Opening those archives, however, may be challenging due to the commonly convoluted (if not even chaotic) nature of brittle fault architectures and fault rocks. This is because, once formed, faults are extremely sensitive to variations in stress field and environmental conditions and are prone to readily slip in a variety of conditions, also in regions affected by only weak, far-field stresses. The detailed, multi-scalar structural analysis of faults and of fault rocks has to be the starting point for any study aiming at reconstructing the complex framework of brittle deformation. However, considering that present-day exposures of faults only represent the end result of the faults' often protracted and heterogeneous histories, the obtained structural and mechanical results have to be integrated over the life span of the studied fault system. Dating of synkinematic illite/muscovite to constrain the time-integrated evolution of faults is therefore the natural addition to detailed structural studies. By means of selected examples it will be demonstrated how careful structural analysis integrated with illite characterization and K-Ar dating allows the high-resolution reconstruction of brittle deformation histories and, in turn, multiple constraints to be placed on strain localization, deformation mechanisms, fluid flow, mineral alteration and authigenesis within actively deforming brittle fault rocks. Complex and long brittle histories can thus be reconstructed and untangled in any tectonic setting.

  11. Kinetics of tetrataenite disordering

    International Nuclear Information System (INIS)

    Dos Santos, E.; Gattacceca, J.; Rochette, P.; Fillion, G.; Scorzelli, R.B.

    2015-01-01

    Tetrataenite is a chemically ordered L1 0 -type Fe 50 Ni 50 alloy detected for the first time in 1977 by 57 Fe Mössbauer spectroscopy studies in iron meteorites. The thermal history of meteorites, in particular short thermal events like those associated to hypervelocity impacts, can be constrained by tracing the presence of tetrataenite or its disordering into taenite. The knowledge of the disordering kinetics of tetrataenite, that is associated with changes in its magnetic properties, is still very fragmentary so that the time–temperature history of these meteorites cannot be constrained in details. Furthermore, knowledge of disordering kinetics is important due to potential technological application of tetrataenite as a rare-earth free strong magnet. Thus, this work provides the first time–temperature data for disordering reaction of tetrataenite. We have shown that disordering is not an instantaneous process but is a kinetic limited reaction. It was shown that disordering may take place at any temperature above the order–disorder transition for L 10 superstructure phase (∼320 °C) when the appropriate time-scale is considered. This result means that the apparent Curie point for tetrataenite is not an absolute property in the sense that any estimate of this parameter should be referred to a given time-scale. - Highlights: • The first time–temperature data for tetrataenite disordering reaction is provided. • Previous works does not give a complete picture of tetrataenite disordering. • Apparent Curie temperature of tetrataenite should be referred to a time-scale. • Tetrataenite can be used as a probe to detect thermal/shock events recorded in meteorites

  12. Kinetics of tetrataenite disordering

    Energy Technology Data Exchange (ETDEWEB)

    Dos Santos, E., E-mail: edisanfi@cbpf.br [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro (Brazil); Gattacceca, J.; Rochette, P. [Centre Européen de Recherche et d’Enseignement des Géosciences de l’Environnement, UM34, CNRS/Aix-Marseille University, Aix-en-Provence (France); Fillion, G. [Laboratoire National des Champs Magnétiques Intenses (LNCMI), CNRS, UJF, 38042 Grenoble (France); Scorzelli, R.B. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro (Brazil)

    2015-02-01

    Tetrataenite is a chemically ordered L1{sub 0}-type Fe{sub 50}Ni{sub 50} alloy detected for the first time in 1977 by {sup 57}Fe Mössbauer spectroscopy studies in iron meteorites. The thermal history of meteorites, in particular short thermal events like those associated to hypervelocity impacts, can be constrained by tracing the presence of tetrataenite or its disordering into taenite. The knowledge of the disordering kinetics of tetrataenite, that is associated with changes in its magnetic properties, is still very fragmentary so that the time–temperature history of these meteorites cannot be constrained in details. Furthermore, knowledge of disordering kinetics is important due to potential technological application of tetrataenite as a rare-earth free strong magnet. Thus, this work provides the first time–temperature data for disordering reaction of tetrataenite. We have shown that disordering is not an instantaneous process but is a kinetic limited reaction. It was shown that disordering may take place at any temperature above the order–disorder transition for L{sub 10} superstructure phase (∼320 °C) when the appropriate time-scale is considered. This result means that the apparent Curie point for tetrataenite is not an absolute property in the sense that any estimate of this parameter should be referred to a given time-scale. - Highlights: • The first time–temperature data for tetrataenite disordering reaction is provided. • Previous works does not give a complete picture of tetrataenite disordering. • Apparent Curie temperature of tetrataenite should be referred to a time-scale. • Tetrataenite can be used as a probe to detect thermal/shock events recorded in meteorites.

  13. Knee joint kinematics and kinetics during the hop and cut after soft tissue artifact suppression: Time to reconsider ACL injury mechanisms?

    Science.gov (United States)

    Smale, Kenneth B; Potvin, Brigitte M; Shourijeh, Mohammad S; Benoit, Daniel L

    2017-09-06

    The recent development of a soft tissue artifact (STA) suppression method allows us to re-evaluate the tibiofemoral kinematics currently linked to non-contact knee injuries. The purpose of this study was therefore to evaluate knee joint kinematics and kinetics in six degrees of freedom (DoF) during the loading phases of a jump lunge and side cut using this in silico method. Thirty-five healthy adults completed these movements and their surface marker trajectories were then scaled and processed with OpenSim's inverse kinematics (IK) and inverse dynamics tools. Knee flexion angle-dependent kinematic constraints defined based on previous bone pin (BP) marker trajectories were then applied to the OpenSim model during IK and these constrained results were then processed with the standard inverse dynamics tool. Significant differences for all hip, knee, and ankle DoF were observed after STA suppression for both the jump lunge and side cut. Using clinically relevant effect size estimates, we conclude that STA contamination had led to misclassifications in hip transverse plane angles, knee frontal and transverse plane angles, medial/lateral and distractive/compressive knee translations, and knee frontal plane moments between the NoBP and the BP IK solutions. Our results have substantial clinical implications since past research has used joint kinematics and kinetics contaminated by STA to identify risk factors for musculoskeletal injuries. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Preimages for Step-Reduced SHA-2

    DEFF Research Database (Denmark)

    Aoki, Kazumaro; Guo, Jian; Matusiewicz, Krystian

    2009-01-01

    In this paper, we present preimage attacks on up to 43-step SHA-256 (around 67% of the total 64 steps) and 46-step SHA-512 (around 57.5% of the total 80 steps), which significantly increases the number of attacked steps compared to the best previously published preimage attack working for 24 steps....... The time complexities are 2^251.9, 2^509 for finding pseudo-preimages and 2^254.9, 2^511.5 compression function operations for full preimages. The memory requirements are modest, around 2^6 words for 43-step SHA-256 and 46-step SHA-512. The pseudo-preimage attack also applies to 43-step SHA-224 and SHA-384...

  15. Step by Step Microsoft Office Visio 2003

    CERN Document Server

    Lemke, Judy

    2004-01-01

    Experience learning made easy-and quickly teach yourself how to use Visio 2003, the Microsoft Office business and technical diagramming program. With STEP BY STEP, you can take just the lessons you need, or work from cover to cover. Either way, you drive the instruction-building and practicing the skills you need, just when you need them! Produce computer network diagrams, organization charts, floor plans, and moreUse templates to create new diagrams and drawings quicklyAdd text, color, and 1-D and 2-D shapesInsert graphics and pictures, such as company logosConnect shapes to create a basic f

  16. Kinetics of stress fibers

    International Nuclear Information System (INIS)

    Stachowiak, Matthew R; O'Shaughnessy, Ben

    2008-01-01

    Stress fibers are contractile cytoskeletal structures, tensile actomyosin bundles which allow sensing and production of force, provide cells with adjustable rigidity and participate in various processes such as wound healing. The stress fiber is possibly the best characterized and most accessible multiprotein cellular contractile machine. Here we develop a quantitative model of the structure and relaxation kinetics of stress fibers. The principal experimentally known features are incorporated. The fiber has a periodic sarcomeric structure similar to muscle fibers with myosin motor proteins exerting contractile force by pulling on actin filaments. In addition the fiber contains the giant spring-like protein titin. Actin is continuously renewed by exchange with the cytosol leading to a turnover time of several minutes. In order that steady state be possible, turnover must be regulated. Our model invokes simple turnover and regulation mechanisms: actin association and dissociation occur at filament ends, while actin filament overlap above a certain threshold in the myosin-containing regions augments depolymerization rates. We use the model to study stress fiber relaxation kinetics after stimulation, as observed in a recent experimental study where some fiber regions were contractile and others expansive. We find that two distinct episodes ensue after stimulation: the turnover-overlap system relaxes rapidly in seconds, followed by the slow relaxation of sarcomere lengths in minutes. For parameter values as they have been characterized experimentally, we find the long time relaxation of sarcomere length is set by the rate at which actin filaments can grow or shrink in response to the forces exerted by the elastic and contractile elements. Consequently, the stress fiber relaxation time scales inversely with both titin spring constant and the intrinsic actin turnover rate. The model's predicted sarcomere velocities and contraction-expansion kinetics are in good

  17. Kinetics of stress fibers

    Energy Technology Data Exchange (ETDEWEB)

    Stachowiak, Matthew R; O' Shaughnessy, Ben [Department of Chemical Engineering, Columbia University, New York, NY 10027 (United States)], E-mail: bo8@columbia.edu

    2008-02-15

    Stress fibers are contractile cytoskeletal structures, tensile actomyosin bundles which allow sensing and production of force, provide cells with adjustable rigidity and participate in various processes such as wound healing. The stress fiber is possibly the best characterized and most accessible multiprotein cellular contractile machine. Here we develop a quantitative model of the structure and relaxation kinetics of stress fibers. The principal experimentally known features are incorporated. The fiber has a periodic sarcomeric structure similar to muscle fibers with myosin motor proteins exerting contractile force by pulling on actin filaments. In addition the fiber contains the giant spring-like protein titin. Actin is continuously renewed by exchange with the cytosol leading to a turnover time of several minutes. In order that steady state be possible, turnover must be regulated. Our model invokes simple turnover and regulation mechanisms: actin association and dissociation occur at filament ends, while actin filament overlap above a certain threshold in the myosin-containing regions augments depolymerization rates. We use the model to study stress fiber relaxation kinetics after stimulation, as observed in a recent experimental study where some fiber regions were contractile and others expansive. We find that two distinct episodes ensue after stimulation: the turnover-overlap system relaxes rapidly in seconds, followed by the slow relaxation of sarcomere lengths in minutes. For parameter values as they have been characterized experimentally, we find the long time relaxation of sarcomere length is set by the rate at which actin filaments can grow or shrink in response to the forces exerted by the elastic and contractile elements. Consequently, the stress fiber relaxation time scales inversely with both titin spring constant and the intrinsic actin turnover rate. The model's predicted sarcomere velocities and contraction-expansion kinetics are in good

  18. Comment on 'Shang S. 2012. Calculating actual crop evapotranspiration under soil water stress conditions with appropriate numerical methods and time step. Hydrological Processes 26: 3338-3343. DOI: 10.1002/hyp.8405'

    Science.gov (United States)

    Yatheendradas, Soni; Narapusetty, Balachandrudu; Peters-Lidard, Christa; Funk, Christopher; Verdin, James

    2014-01-01

    A previous study analyzed errors in the numerical calculation of actual crop evapotranspiration (ET(sub a)) under soil water stress. Assuming no irrigation or precipitation, it constructed equations for ET(sub a) over limited soil-water ranges in a root zone drying out due to evapotranspiration. It then used a single crop-soil composite to provide recommendations about the appropriate usage of numerical methods under different values of the time step and the maximum crop evapotranspiration (ET(sub c)). This comment reformulates those ET(sub a) equations for applicability over the full range of soil water values, revealing a dependence of the relative error in numerical ET(sub a) on the initial soil water that was not seen in the previous study. It is shown that the recommendations based on a single crop-soil composite can be invalid for other crop-soil composites. Finally, a consideration of the numerical error in the time-cumulative value of ET(sub a) is discussed besides the existing consideration of that error over individual time steps as done in the previous study. This cumulative ET(sub a) is more relevant to the final crop yield.

  19. Kinetics of Endophilin N-BAR Domain Dimerization and Membrane Interactions*

    Science.gov (United States)

    Capraro, Benjamin R.; Shi, Zheng; Wu, Tingting; Chen, Zhiming; Dunn, Joanna M.; Rhoades, Elizabeth; Baumgart, Tobias

    2013-01-01

    The recruitment to plasma membrane invaginations of the protein endophilin is a temporally regulated step in clathrin-mediated endocytosis. Endophilin is believed to sense or stabilize membrane curvature, which in turn likely depends on the dimeric structure of the protein. The dynamic nature of the membrane association and dimerization of endophilin is thus functionally important and is illuminated herein. Using subunit exchange Förster resonance energy transfer (FRET), we determine dimer dissociation kinetics and find a dimerization equilibrium constant orders of magnitude lower than previously published values. We characterize N-BAR domain membrane association kinetics under conditions where the dimeric species predominates, by stopped flow, observing prominent electrostatic sensitivity of membrane interaction kinetics. Relative to membrane binding, we find that protein monomer/dimer species equilibrate with far slower kinetics. Complementary optical microscopy studies reveal strikingly slow membrane dissociation and an increase of dissociation rate constant for a construct lacking the amphipathic segment helix 0 (H0). We attribute the slow dissociation kinetics to higher-order protein oligomerization on the membrane. We incorporate our findings into a kinetic scheme for endophilin N-BAR membrane binding and find a significant separation of time scales for endophilin membrane binding and subsequent oligomerization. This separation may facilitate the regulation of membrane trafficking phenomena. PMID:23482561

  20. Kinetic study of brilliant green adsorption from aqueous solution onto white rice husk ash.

    Science.gov (United States)

    Tavlieva, Mariana P; Genieva, Svetlana D; Georgieva, Velyana G; Vlaev, Lyubomir T

    2013-11-01

    The present research was focused on the study of adsorption kinetics of brilliant green (BG) onto white rice husk ash from aqueous solutions. The research was performed in the temperature interval 290-320 K in 10° steps and in the concentration range of 3-100 mg L(-1). Batch studies were conducted in order to determine the optimal adsorbent dose, and the time required to reach the adsorption equilibrium at each temperature. The effect of the initial concentration of brilliant green was studied (pH not adjusted), as well as the effect of temperature. The maximum adsorption capacity of the WRHA for BG at 320 K was determined to be 85.56 mg g(-1). The adsorption kinetic data were analyzed employing several kinetic models: pseudo-first-order equation, pseudo-second-order equation, Elovichequation, Banghman's equation, Diffusion-chemisorption model, and Boyd kinetic expression. It was established that the adsorption process obeyed the pseudo-second-order kinetic model. Based on the rate constants obtained by this kinetic model using Arrhenius and Eyring equations, the activation parameters were determined, namely the activation energy (50.04 kJ mol(-1)), the change of entropy (-318.31 J mol(-1) K(-1)), enthalpy (-47.50 kJ mol(-1)), and Gibbs free energy (range 44.81-54.36 kJ mol(-1)) for the formation of activated complex from the reagents. Copyright © 2013 Elsevier Inc. All rights reserved.

  1. Diabetes PSA (:30) Step By Step

    Centers for Disease Control (CDC) Podcasts

    2009-10-24

    First steps to preventing diabetes. For Hispanic and Latino American audiences.  Created: 10/24/2009 by National Diabetes Education Program (NDEP), a joint program of the Centers for Disease Control and Prevention and the National Institutes of Health.   Date Released: 10/24/2009.

  2. Diabetes PSA (:60) Step By Step

    Centers for Disease Control (CDC) Podcasts

    2009-10-24

    First steps to preventing diabetes. For Hispanic and Latino American audiences.  Created: 10/24/2009 by National Diabetes Education Program (NDEP), a joint program of the Centers for Disease Control and Prevention and the National Institutes of Health.   Date Released: 10/24/2009.

  3. Adsorption kinetics

    African Journals Online (AJOL)

    The Eucalyptus lenceolata wood was collected from Malakand division, Khyber Pakhtunkhwa Pakistan. Chemical activation of sample was conducted for surface efficiency. Batch studies were performed to address various experimental parameters like, contact time, temperature and adsorbent dosage for the removal of dye.

  4. Kinetic analysis of the multistep aggregation mechanism of monoclonal antibodies.

    Science.gov (United States)

    Nicoud, Lucrèce; Arosio, Paolo; Sozo, Margaux; Yates, Andrew; Norrant, Edith; Morbidelli, Massimo

    2014-09-11

    We investigate by kinetic analysis the aggregation mechanism of two monoclonal antibodies belonging to the IgG1 and IgG2 subclass under thermal stress. For each IgG, we apply a combination of size exclusion chromatography and light scattering techniques to resolve the time evolution of the monomer, dimer, and trimer concentrations, as well as the average molecular weight and the average hydrodynamic radius of the aggregate distribution. By combining the detailed experimental characterization with a theoretical kinetic model based on population balance equations, we extract relevant information on the contribution of the individual elementary steps on the global aggregation process. The analysis shows that the two molecules follow different aggregation pathways under the same operating conditions. In particular, while the monomer depletion of the IgG1 is found to be rate-limited by monomeric conformational changes, bimolecular collision is identified as the rate-limiting step in the IgG2 aggregation process. The measurement of the microscopic rate constants by kinetic analysis allows the quantification of the protein-protein interaction potentials expressed in terms of the Fuchs stability ratio (W). It is found that the antibody solutions exhibit large W values, which are several orders of magnitude larger than the values computed in the frame of the DLVO theory. This indicates that, besides net electrostatic repulsion, additional effects delay the aggregation kinetics of the antibody solutions with respect to diffusion-limited conditions. These effects likely include the limited efficiency of the collision events due to the presence of a limited number of specific aggregation-prone patches on the heterogeneous protein surface, and the contribution of additional repulsive non-DLVO forces to the protein-protein interaction potential, such as hydration forces.

  5. Alternating electron and proton transfer steps in photosynthetic water oxidation.

    Science.gov (United States)

    Klauss, André; Haumann, Michael; Dau, Holger

    2012-10-02

    Water oxidation by cyanobacteria, algae, and plants is pivotal in oxygenic photosynthesis, the process that powers life on Earth, and is the paradigm for engineering solar fuel-production systems. Each complete reaction cycle of photosynthetic water oxidation requires the removal of four electrons and four protons from the catalytic site, a manganese-calcium complex and its protein environment in photosystem II. In time-resolved photothermal beam deflection experiments, we monitored apparent volume changes of the photosystem II protein associated with charge creation by light-induced electron transfer (contraction) and charge-compensating proton relocation (expansion). Two previously invisible proton removal steps were detected, thereby filling two gaps in the basic reaction-cycle model of photosynthetic water oxidation. In the S(2) → S(3) transition of the classical S-state cycle, an intermediate is formed by deprotonation clearly before electron transfer to the oxidant (Y Z OX). The rate-determining elementary step (τ, approximately 30 µs at 20 °C) in the long-distance proton relocation toward the protein-water interface is characterized by a high activation energy (E(a) = 0.46 ± 0.05 eV) and strong H/D kinetic isotope effect (approximately 6). The characteristics of a proton transfer step during the S(0) → S(1) transition are similar (τ, approximately 100 µs; E(a) = 0.34 ± 0.08 eV; kinetic isotope effect, approximately 3); however, the proton removal from the Mn complex proceeds after electron transfer to . By discovery of the transient formation of two further intermediate states in the reaction cycle of photosynthetic water oxidation, a temporal sequence of strictly alternating removal of electrons and protons from the catalytic site is established.

  6. Determining the transient kinetic behavior of complex multi-enzyme systems by use of network thermodynamics.

    Science.gov (United States)

    Mikulecky, D C; Thellier, M

    1993-12-01

    As an example of the application of network thermodynamics to the treatment of complicated enzymatic systems, we have studied the transient kinetic behavior of a sequence of five enzymatic reactions, four with Michaelis-Menten kinetics and the final one with sigmoid kinetics. The object was to determine how the time-courses of the concentrations of all the intermediate substrates involved, depend on the effect of forward activation by the first substrate on the final enzymatic step. The case with forward activation exhibited an unexpected behavior with a reversal of the direction of the reaction before reaching equilibrium. The solution of the set of five non-linear differential equations was achieved using the student version of the simulation package PSPICE. The same approach can be utilized to study the behavior of any type of complex multienzymatic system (steady-states, transients, oscillations, chaos), or of combinations of enzymatic reactions with transmembrane transport in compartmental systems.

  7. A kinetics database and scripts for PHREEQC

    Science.gov (United States)

    Hu, B.; Zhang, Y.; Teng, Y.; Zhu, C.

    2017-12-01

    Kinetics of geochemical reactions has been increasingly used in numerical models to simulate coupled flow, mass transport, and chemical reactions. However, the kinetic data are scattered in the literature. To assemble a kinetic dataset for a modeling project is an intimidating task for most. In order to facilitate the application of kinetics in geochemical modeling, we assembled kinetics parameters into a database for the geochemical simulation program, PHREEQC (version 3.0). Kinetics data were collected from the literature. Our database includes kinetic data for over 70 minerals. The rate equations are also programmed into scripts with the Basic language. Using the new kinetic database, we simulated reaction path during the albite dissolution process using various rate equations in the literature. The simulation results with three different rate equations gave difference reaction paths at different time scale. Another application involves a coupled reactive transport model simulating the advancement of an acid plume in an acid mine drainage site associated with Bear Creek Uranium tailings pond. Geochemical reactions including calcite, gypsum, and illite were simulated with PHREEQC using the new kinetic database. The simulation results successfully demonstrated the utility of new kinetic database.

  8. Real Time Extraction Kinetics of Electro Membrane Extraction Verified by Comparing Drug Metabolism Profiles Obtained from a Flow-Flow Electro Membrane Extraction-Mass Spectrometry System with LC-MS

    DEFF Research Database (Denmark)

    Fuchs, David; Jensen, Henrik; Pedersen-Bjergaard, Stig

    2015-01-01

    A simple to construct and operate, "dip-in" electromembrane extraction (EME) probe directly coupled to electrospray ionization-mass spectrometry (ESI-MS) for rapid extraction and real time analysis of various analytes was developed. The setup demonstrated that EME-MS can be used as a viable...... alternative to conventional protein precipitation followed by liquid chromatography-mass spectrometry (LC-MS) for studying drug metabolism. Comparison of EME-MS with LC-MS for drug metabolism analysis demonstrated for the first time that real time extraction of analytes by EME is possible. Metabolism kinetics...... were investigated for three different drugs: amitriptyline, promethazine, and methadone. By comparing the EME-MS extraction profiles of the drug substances and formed drug metabolites with the metabolism profiles obtained by conventional protein precipitation followed by LC-MS good correlation...

  9. Microsoft Office SharePoint Designer 2007 Step by Step