A Gas-Kinetic Scheme for Reactive Flows

NASA Technical Reports Server (NTRS)

Lian,Youg-Sheng; Xu, Kun

1998-01-01

In this paper, the gas-kinetic BGK scheme for the compressible flow equations is extended to chemical reactive flow. The mass fraction of the unburnt gas is implemented into the gas kinetic equation by assigning a new internal degree of freedom to the particle distribution function. The new variable can be also used to describe fluid trajectory for the nonreactive flows. Due to the gas-kinetic BGK model, the current scheme basically solves the Navier-Stokes chemical reactive flow equations. Numerical tests validate the accuracy and robustness of the current kinetic method.

Spectral kinetic energy transfer in turbulent premixed reacting flows.

PubMed

Towery, C A Z; Poludnenko, A Y; Urzay, J; O'Brien, J; Ihme, M; Hamlington, P E

2016-05-01

Spectral kinetic energy transfer by advective processes in turbulent premixed reacting flows is examined using data from a direct numerical simulation of a statistically planar turbulent premixed flame. Two-dimensional turbulence kinetic-energy spectra conditioned on the planar-averaged reactant mass fraction are computed through the flame brush and variations in the spectra are connected to terms in the spectral kinetic energy transport equation. Conditional kinetic energy spectra show that turbulent small-scale motions are suppressed in the burnt combustion products, while the energy content of the mean flow increases. An analysis of spectral kinetic energy transfer further indicates that, contrary to the net down-scale transfer of energy found in the unburnt reactants, advective processes transfer energy from small to large scales in the flame brush close to the products. Triadic interactions calculated through the flame brush show that this net up-scale transfer of energy occurs primarily at spatial scales near the laminar flame thermal width. The present results thus indicate that advective processes in premixed reacting flows contribute to energy backscatter near the scale of the flame.

Unfolding of chondroitinase ABC Ι is dependent on thermodynamic driving force by kinetically rate constant-amplitude compensation: A stopped-flow fluorescence study.

PubMed

Shirdel, S Akram; Khalifeh, Khosrow; Ranjbar, Bijan; Golestani, Abolfazl; Khajeh, Khosro

2016-11-01

We had previously investigated the role of a loop on the activity and conformational stability of chondroitinase ABC Ι (cABC Ι) by constructing some representative mutants in which a network interaction around Asp 689 was manipulated. Here we extended our study by measuring the proteolytic resistance, long term and thermal stability as well as unfolding kinetics of these variants. Long term stability data at 4 and 25°C for 3 weeks indicates that all mutants remain considerably active at 4°C. Thermoinactivation rates for all variants shows that the wild type (WT) enzyme retained 50% of its activity after 2min keeping at 40°C, while L701T, H700N and H700N/L701T as conformationally stabilized variants, have slower inactivation rate. It was also found that compact and thermodynamically stabilized variants are more resistant to tryptolytic digestion. Also, kinetic curves of chemical unfolding of the enzyme variants from stopped-flow fluorescence measurements were best fitted into a three-exponential function with three rate constants and corresponding amplitudes. We found that the energy barrier of the fast unfolding phase is lower in stabilized variants; while the amplitude of this phase to the whole amplitude of the unfolding reaction is lower than that of destabilized variants, indicating more population of stabilized mutants unfold via slower unfolding phase. We concluded that the rate of local conformational change alone is not the same that is expected from global thermodynamic stability; however the corresponding amplitude can compensate the rate constant toward thermodynamic stability. Copyright © 2016 Elsevier Inc. All rights reserved.

Combined pressure and cosolvent effects on enzyme activity - a high-pressure stopped-flow kinetic study on α-chymotrypsin.

PubMed

Luong, Trung Quan; Winter, Roland

2015-09-21

We investigated the combined effects of cosolvents and pressure on the hydrolysis of a model peptide catalysed by α-chymotrypsin. The enzymatic activity was measured in the pressure range from 0.1 to 200 MPa using a high-pressure stopped-flow systems with 10 ms time resolution. A kosmotropic (trimethalymine-N-oxide, TMAO) and chaotropic (urea) cosolvent and mixtures thereof were used as cosolvents. High pressure enhances the hydrolysis rate as a consequence of a negative activation volume, ΔV(#), which, depending on the cosolvent system, amounts to -2 to -4 mL mol(-1). A more negative activation volume can be explained by a smaller compression of the ES complex relative to the transition state. Kinetic constants, such as kcat and the Michaelis constant KM, were determined for all solution conditions as a function of pressure. With increasing pressure, kcat increases by about 35% and its pressure dependence by a factor of 1.9 upon addition of 2 M urea, whereas 1 M TMAO has no significant effect on kcat and its pressure dependence. Similarly, KM increases upon addition of urea 6-fold. Addition of TMAO compensates the urea-effect on kcat and KM to some extent. The maximum rate of the enzymatic reaction increases with increasing pressure in all solutions except in the TMAO : urea 1 : 2 mixture, where, remarkably, pressure is found to have no effect on the rate of the enzymatic reaction anymore. Our data clearly show that compatible solutes can easily override deleterious effects of harsh environmental conditions, such as high hydrostatic pressures in the 100 MPa range, which is the maximum pressure encountered in the deep biosphere on Earth.

Reducing or stopping the uncontrolled flow of fluid such as oil from a well

DOEpatents

Hermes, Robert E

2014-02-18

The uncontrolled flow of fluid from an oil or gas well may be reduced or stopped by injecting a composition including 2-cyanoacrylate ester monomer into the fluid stream. Injection of the monomer results in a rapid, perhaps instantaneous, polymerization of the monomer within the flow stream of the fluid. This polymerization results in formation of a solid plug that reduces or stops the flow of additional fluid from the well.

Determination of myoglobin based on its enzymatic activity by stopped-flow spectrophotometry

NASA Astrophysics Data System (ADS)

Zheng, Qi; Liu, Zhihong; Cai, Ruxiu

2005-04-01

A new method has been developed for the determination of myoglobin (Mb) based on its enzymatic activity for the oxidation of o-phenylenediamine (OPDA) with hydrogen peroxide. Stopped-flow spectrophotometry was used to study the kinetic behavior of the oxidation reaction. The catalytic activity of Mb was compared to other three kinds of catalyst. The time dependent absorbance of the reaction product, 2,3-diamimophenazine (DAPN), at a wavelength of 426 nm was recorded. The initial reaction rate obtained at 40 °C was found to be proportional to the concentration of Mb in the range of 1.0 × 10 -6 to 4.0 × 10 -9 mol L -1. The detection limit of Mb was found to be 9.93 × 10 -10 mol L -1. The relative standard deviations were within 5% for the determination of different concentrations of Mb. Excess of bovine serum albumin (BSA), Ca(II), Mg(II), Cu(II), glucose, caffeine, lactose and uric acid did not interfere.

Fluorescence stopped-flow study of the interaction of tubulin with the antimitotic drug MDL 27048.

PubMed

Silence, K; D'Hoore, A; Engelborghs, Y; Peyrot, V; Briand, C

1992-11-17

The kinetics of the binding of MDL 27048 to tubulin have been studied by fluorescence stopped flow. The binding is accompanied by a fluorescence increase. The time course can be described by a sum of two exponentials, assumed to be due to the presence of two major tubulin isoforms. The observed rate constants depend in a nonlinear way on the concentration of MDL in pseudo-first-order conditions. This concentration dependence can be described by the presence of a fast equilibrium of low affinity, followed by an isomerization of the initial complex. The dissociation kinetics have been studied by displacement experiments, in which MTC was used as a competitive ligand. The reaction enthalpy change for the first binding equilibrium and the activation energies for the forward and reverse steps of the isomerization were determined from the temperature dependence. This was possible for the two tubulin isotype populations. The kinetics of the binding of MDL to tubulin are slowed down in the presence of 3',4',5'-trimethoxyacetophenone, a fast binding analog of the colchicine A-ring, but are not influenced by the binding of tropolone methyl ether, indicating that the binding site of MDL has the A-subsite in common with colchicine, but not the C-subsite.

Stopping dynamics of a steady uniform granular flow over a rough incline

NASA Astrophysics Data System (ADS)

Deboeuf, Stéphanie; Saingier, Guillaume; Thiruvalluvar, Nitharshini; Lagrée, Pierre-Yves; Popinet, Stéphane; Staron, Lydie

2017-06-01

Granular material flowing on complex topographies are ubiquitous in industrial and geophysical situations. Even model granular flows are difficult to understand and predict. Recently, the frictional rheology μ(I) -describing the ratio of the shear stress to the normal stress as a function of the inertial number I, that compares inertial and confinement effects- allows unifying different configurations of granular flows. However it does not succeed in describing some phenomenologies, such as creep flow, deposit height, … Is it attributable to the rheology, to non-local effects, ...? Here, we consider a thin layer of grains flowing steadily and uniformly on a rough incline, when the input mass flow rate is suddenly stopped. We focus on the arrest dynamics by using both experimental and numerical approaches. We measure the height and surface velocities of the granular layer during the long-time stopping dynamics and we compare our experimental results with computations of depthaveraged equations for a fluid of rheology μ(I).

Analysis of atmospheric flow over a surface protrusion using the turbulence kinetic energy equation

NASA Technical Reports Server (NTRS)

Frost, W.; Harper, W. L.; Fichtl, G. H.

1975-01-01

Atmospheric flow fields resulting from a semi-elliptical surface obstruction in an otherwise horizontally homogeneous statistically stationary flow are modelled with the boundary-layer/Boussinesq-approximation of the governing equation of fluid mechanics. The turbulence kinetic energy equation is used to determine the dissipative effects of turbulent shear on the mean flow. Mean-flow results are compared with those given in a previous paper where the same problem was attacked using a Prandtl mixing-length hypothesis. Iso-lines of turbulence kinetic energy and turbulence intensity are plotted in the plane of the flow. They highlight regions of high turbulence intensity in the stagnation zone and sharp gradients in intensity along the transition from adverse to favourable pressure gradient.

Probing Reversible Chemistry in Coenzyme B12-Dependent Ethanolamine Ammonia Lyase with Kinetic Isotope Effects

PubMed Central

Jones, Alex R; Rentergent, Julius; Scrutton, Nigel S; Hay, Sam

2015-01-01

Coenzyme B12-dependent enzymes such as ethanolamine ammonia lyase have remarkable catalytic power and some unique properties that enable detailed analysis of the reaction chemistry and associated dynamics. By selectively deuterating the substrate (ethanolamine) and/or the β-carbon of the 5′-deoxyadenosyl moiety of the intrinsic coenzyme B12, it was possible to experimentally probe both the forward and reverse hydrogen atom transfers between the 5′-deoxyadenosyl radical and substrate during single-turnover stopped-flow measurements. These data are interpreted within the context of a kinetic model where the 5′-deoxyadenosyl radical intermediate may be quasi-stable and rearrangement of the substrate radical is essentially irreversible. Global fitting of these data allows estimation of the intrinsic rate constants associated with CoC homolysis and initial H-abstraction steps. In contrast to previous stopped-flow studies, the apparent kinetic isotope effects are found to be relatively small. PMID:25950663

Investigating fast enzyme-DNA kinetics using multidimensional fluorescence imaging and microfluidics

NASA Astrophysics Data System (ADS)

Robinson, Tom; Manning, Hugh B.; Dunsby, Christopher; Neil, Mark A. A.; Baldwin, Geoff S.; de Mello, Andrew J.; French, Paul M. W.

2010-02-01

We have developed a rapid microfluidic mixing device to image fast kinetics. To verify the performance of the device it was simulated using computational fluid dynamics (CFD) and the results were directly compared to experimental fluorescence lifetime imaging (FLIM) measurements. The theoretical and measured mixing times of the device were found to be in agreement over a range of flow rates. This mixing device is being developed with the aim of analysing fast enzyme kinetics in the sub-millisecond time domain, which cannot be achieved with conventional macro-stopped flow devices. Here we have studied the binding of a DNA repair enzyme, uracil DNA glycosylase (UDG), to a fluorescently labelled DNA substrate. Bulk phase fluorescence measurements have been used to measure changes on binding: it was found that the fluorescence lifetime increased along with an increase in the polarisation anisotropy and rotational correlation time. Analysis of the same reaction in the microfluidic mixer by CFD enabled us to predict the mixing time of the device to be 46 μs, more than 20 times faster than current stopped-flow techniques. We also demonstrate that it is possible to image UDG-DNA interactions within the micromixer using the signal changes observed from the multidimensional spectrofluorometer.

Direct-injection chemiluminescence detector. Properties and potential applications in flow analysis.

PubMed

Koronkiewicz, Stanislawa; Kalinowski, Slawomir

2015-02-01

We present a novel chemiluminescence detector, with a cone-shaped detection chamber where the analytical reaction takes place. The sample and appropriate reagents are injected directly into the chamber in countercurrent using solenoid-operated pulse micro-pumps. The proposed detector allows for fast measurement of the chemiluminescence signal in stop-flow conditions from the moment of reagents mixing. To evaluate potential applications of the detector the Fenton-like reaction with a luminol-H2O2 system and several transition metal ions (Co(2+), Cu(2+), Cr(3+), Fe(3+)) as a catalyst were investigated. The results demonstrate suitability of the proposed detector for quantitative analysis and for investigations of reaction kinetics, particularly rapid reactions. A multi-pumping flow system was designed and optimized. The developed methodology demonstrated that the shape of the analytical signals strongly depends on the type and concentration of the metal ions. The application of the detector in quantitative analysis was assessed for determination of Fe(III). The direct-injection chemiluminescence detector allows for a sensitive and repeatable (R.S.D. 2%) determination. The intensity of chemiluminescence increased linearly in the range from about 0.5 to 10 mg L(-1) Fe(III) with the detection limit of 0.025 mg L(-1). The time of analysis depended mainly on reaction kinetics. It is possible to achieve the high sampling rate of 144 samples per hour. Copyright © 2014 Elsevier B.V. All rights reserved.

A comprehensive study of a new versatile microchip device based liquid phase microextraction for stopped-flow and double-flow conditions.

PubMed

Payán, María Ramos; Murillo, Elia Santigosa; Coello, Jordi; López, Miguel Ángel Bello

2018-06-29

A new geometry for a versatile microfluidic-chip device based liquid phase microextraction was developed in order to enhance the preconcentration in microfluidic chips and also to enable double-flow and stopped-flow working modes. The microchip device was combined with a HPLC procedure for the simultaneous determination of two different families as model analytes, which were parabens and non-steroidal anti-inflammatories (NSAIDs): Ethyl 4-hydroxybenzoate (Et-P), Propyl 4-hydroxybenzoate (Pr-P), Butyl 4-hydroxybenzoate (Bu-P), IsoButyl 4-hydroxybenzoate (iBu-P), salycilic acid (SAC), ketoprofen (KET), naproxen (NAX), diclofenac (DIC) and ibuprofen (IBU) in urine samples. The new miniaturized microchip proposed in this work allows not only the possibility of working in double-flow conditions, but also under stagnant conditions (stopped-flow) (SF-μLPME). The sample (pH 1.5) was delivered to the SF-μLPME at 20 μL min -1 while keeping the acceptor phase (pH 11.75) under stagnant conditions during 20 min. The highest enrichment factors (between 16 and 47) were obtained under stopped-flow conditions at 20 μL min -1 (sample flow rate) after 20 min extraction; whereas the extraction efficiencies were within the range of 27-81% for all compounds. The procedure provided very low detection limits between 0.7 and 8.5 μg L -1 with a sample volume consumption of 400 μL. Parabens and NSAIDs have successfully been extracted from urine samples with excellent clean up and recoveries over 90% for all compounds. In parallel, the new device was also tested under double flow conditions, obtaining good but lower enrichment factors (between 9 and 20) and higher extraction efficiencies (between 45 and 95) after 7 min extraction, consuming a volume sample of 140 μL. The versatile device offered very high extraction efficiencies and good enrichment factor for double flow and stopped-flow conditions, respectively. In addition, this new miniaturized SF-μLPME device

In vitro evaluation of flow patterns and turbulent kinetic energy in trans-catheter aortic valve prostheses.

PubMed

Giese, Daniel; Weiss, Kilian; Baeßler, Bettina; Madershahian, Navid; Choi, Yeong-Hoon; Maintz, David; Bunck, Alexander C

2018-02-01

The objective of the current work was to evaluate flow and turbulent kinetic energy in different transcatheter aortic valve implants using highly undersampled time-resolved multi-point 3-directional phase-contrast measurements (4D Flow MRI) in an in vitro setup. A pulsatile flow setup was used with a compliant tubing mimicking a stiff left ventricular outflow tract and ascending aorta. Five different implants were measured using a highly undersampled multi-point 4D Flow MRI sequence. Velocities and turbulent kinetic energy values were analysed and compared. Strong variations of turbulent kinetic energy distributions between the valves were observed. Maximum turbulent kinetic energy values ranged from 100 to over 500 J/m 3 while through-plane velocities were similar between all valves. Highly accelerated 4D Flow MRI for the measurement of velocities and turbulent kinetic energy values allowed for the assessment of hemodynamic parameters in five different implant models. The presented setup, measurement protocol and analysis methods provides an efficient approach to compare different valve implants and could aid future novel valve designs.

Kinetics Analysis of Synthesis Reaction of Struvite With Air-Flow Continous Vertical Reactors

NASA Astrophysics Data System (ADS)

Edahwati, L.; Sutiyono, S.; Muryanto, S.; Jamari, J.; Bayuseno, dan A. P.

2018-01-01

Kinetics reaction is a knowledge about a rate of chemical reaction. The differential of the reaction rate can be determined from the reactant material or the formed material. The reaction mechanism of a reactor may include a stage of reaction occurring sequentially during the process of converting the reactants into products. In the determination of reaction kinetics, the order of reaction and the rate constant reaction must be recognized. This study was carried out using air as a stirrer as a medium in the vertical reactor for crystallization of struvite. Stirring is one of the important aspects in struvite crystallization process. Struvite crystals or magnesium ammonium phosphate hexahydrates (MgNH4PO4·6H2O) is commonly formed in reversible reactions and can be generated as an orthorhombic crystal. Air is selected as a stirrer on the existing flow pattern in the reactor determining the reaction kinetics of the crystal from the solution. The experimental study was conducted by mixing an equimolar solution of 0.03 M NH4OH, MgCl2 and H3PO4 with a ratio of 1: 1: 1. The crystallization process of the mixed solution was observed in an inside reactor at the flow rate ranges of 16-38 ml/min and the temperature of 30°C was selected in the study. The air inlet rate was kept constant at 0.25 liters/min. The pH solution was adjusted to be 8, 9 and 10 by dropping wisely of 1 N KOH solution. The crystallization kinetics was examined until the steady state of the reaction was reached. The precipitates were filtered and dried at a temperature for subsequent material characterization, including Scanning Electron Microscope (SEM) and XRD (X-Ray diffraction) method. The results show that higher flow rate leads to less mass of struvite.

Methodologies for extracting kinetic constants for multiphase reacting flow simulation

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

Chang, S.L.; Lottes, S.A.; Golchert, B.

1997-03-01

Flows in industrial reactors often involve complex reactions of many species. A computational fluid dynamics (CFD) computer code, ICRKFLO, was developed to simulate multiphase, multi-species reacting flows. The ICRKFLO uses a hybrid technique to calculate species concentration and reaction for a large number of species in a reacting flow. This technique includes a hydrodynamic and reacting flow simulation with a small but sufficient number of lumped reactions to compute flow field properties followed by a calculation of local reaction kinetics and transport of many subspecies (order of 10 to 100). Kinetic rate constants of the numerous subspecies chemical reactions aremore » difficult to determine. A methodology has been developed to extract kinetic constants from experimental data efficiently. A flow simulation of a fluid catalytic cracking (FCC) riser was successfully used to demonstrate this methodology.« less

A Stopped-Flow Apparatus with Light-Scattering Detection and Its Application to Biochemical Reactions

PubMed Central

Riesner, Detlev; Buenemann, Hans

1973-01-01

A stopped-flow apparatus utilizing light-scattering for following the progress of a reaction is described. The method is applicable to all reactions that result in a significant change of the average molecular weight. It was possible due to several modifications of a conventional stopped-flow system to obtain a sensitivity comparable to that of commercial instruments for static light-scattering measurements. Experiments on three reactions are reported: association and dissociation of mercury ligands with DNA, dissociation of the dimers of DNA-dependent RNA polymerase, and complex formation of tRNASer (yeast) with the cognate aminoacyl-tRNA synthetase. The changes in the intensities of the scattered light are calculated and compared with the measured amplitudes. PMID:4577138

Kinetic energy budget for electroconvective flows near ion selective membranes

NASA Astrophysics Data System (ADS)

Wang, Karen; Mani, Ali

2017-11-01

Electroconvection occurs when ions are driven from a bulk fluid through an ion-selective surface. When the driving voltage is beyond a threshold, this process undergoes a hydrodynamic instability called electroconvection, which can become chaotic due to nonlinear coupling between ion-transport, fluid flow, and electrostatic forces. Electroconvection significantly enhances ion transport and plays an important role in a wide range of electrochemical applications. We investigate this phenomenon by considering a canonical geometry consisting of a symmetric binary electrolyte between an ion-selective membrane and a reservoir using 2D direct numerical simulation (DNS). Our simulations reveal that for most practical regimes, DNS of electroconvection is expensive. Thus, a plan towards development of reduced-order models is necessary to facilitate the adoption of analysis of this phenomenon in industry. Here we use DNS to analyze the kinetic energy budget to shed light into the mechanisms sustaining flow and mixing in electroconvective flows. Our analysis reveals the relative dominance of kinetic energy sources, dissipation, and transport mechanisms sustaining electroconvection at different distances from the interface and over a wide range of input parameters. Karen Wang was supported by the National Defense Science & Engineering Graduate Fellowship (NDSEG). Ali Mani was supported by the National Science Foundation Award.

Pre-steady-state kinetic analysis of the three Escherichia coli pseudouridine synthases TruB, TruA, and RluA reveals uniformly slow catalysis

PubMed Central

Wright, Jaden R.; Keffer-Wilkes, Laura C.; Dobing, Selina R.; Kothe, Ute

2011-01-01

Pseudouridine synthases catalyze formation of the most abundant modification of functional RNAs by site-specifically isomerizing uridines to pseudouridines. While the structure and substrate specificity of these enzymes have been studied in detail, the kinetic and the catalytic mechanism of pseudouridine synthases remain unknown. Here, the first pre-steady-state kinetic analysis of three Escherichia coli pseudouridine synthases is presented. A novel stopped-flow absorbance assay revealed that substrate tRNA binding by TruB takes place in two steps with an overall rate of 6 sec−1. In order to observe catalysis of pseudouridine formation directly, the traditional tritium release assay was adapted for the quench-flow technique, allowing, for the first time, observation of a single round of pseudouridine formation. Thereby, the single-round rate constant of pseudouridylation (kΨ) by TruB was determined to be 0.5 sec−1. This rate constant is similar to the kcat obtained under multiple-turnover conditions in steady-state experiments, indicating that catalysis is the rate-limiting step for TruB. In order to investigate if pseudouridine synthases are characterized by slow catalysis in general, the rapid kinetic quench-flow analysis was also performed with two other E. coli enzymes, RluA and TruA, which displayed rate constants of pseudouridine formation of 0.7 and 0.35 sec−1, respectively. Hence, uniformly slow catalysis might be a general feature of pseudouridine synthases that share a conserved catalytic domain and supposedly use the same catalytic mechanism. PMID:21998096

Pre-Steady-State Kinetic Analysis of Single-Nucleotide Incorporation by DNA Polymerases

PubMed Central

Su, Yan; Guengerich, F. Peter

2016-01-01

Pre-steady-state kinetic analysis is a powerful and widely used method to obtain multiple kinetic parameters. This protocol provides a step-by-step procedure for pre-steady-state kinetic analysis of single-nucleotide incorporation by a DNA polymerase. It describes the experimental details of DNA substrate annealing, reaction mixture preparation, handling of the RQF-3 rapid quench-flow instrument, denaturing polyacrylamide DNA gel preparation, electrophoresis, quantitation, and data analysis. The core and unique part of this protocol is the rationale for preparation of the reaction mixture (the ratio of the polymerase to the DNA substrate) and methods for conducting pre-steady-state assays on an RQF-3 rapid quench-flow instrument, as well as data interpretation after analysis. In addition, the methods for the DNA substrate annealing and DNA polyacrylamide gel preparation, electrophoresis, quantitation and analysis are suitable for use in other studies. PMID:27248785

Mechanism of Na+ binding to thrombin resolved by ultra-rapid kinetics

PubMed Central

Gianni, Stefano; Ivarsson, Ylva; Bah, Alaji; Bush-Pelc, Leslie A.; Di Cera, Enrico

2007-01-01

The interaction of Na+ and K+ with proteins is at the basis of numerous processes of biological importance. However, measurement of the kinetic components of the interaction has eluded experimentalists for decades because the rate constants are too fast to resolve with conventional stopped-flow methods. Using a continuous-flow apparatus with a dead time of 50 μs we have been able to resolve the kinetic rate constants and entire mechanism of Na+ binding to thrombin, an interaction that is at the basis of the procoagulant and prothrombotic roles of the enzyme in the blood. PMID:17935858

Online kinetic studies on intermediates of laccase-catalyzed reaction in reversed micelle.

PubMed

Liu, Zhi-Hong; Shao, Mei; Cai, Ru-Xiu; Shen, Ping

2006-02-01

Using water/AOT/n-octane reversed micelle as the medium, the optical signal of the reactive intermediate of laccase-catalyzed oxidation of o-phenylenediamine, which was indetectable in aqueous solutions, was successfully captured. Thus online kinetic studies of the intermediate were accomplished. Two-way kinetic spectral data were acquired with stopped-flow technique. By resolving the data with global analysis software, both the kinetic curves and the absorption spectra of the components involved in the reaction process were simultaneously obtained. The whole reaction in the reversed micelle was proved to be composed of two successive steps, an enzymatic generation of the intermediate and a following nonenzymatic decay of the intermediate. A consecutive first-order kinetic model of the whole reaction was confirmed. The influences of microenvironmental factors of the medium (such as the pH value of the water pool and the water/AOT ratio) on the detection of the intermediate were also investigated.

Computation and analysis of backward ray-tracing in aero-optics flow fields.

PubMed

Xu, Liang; Xue, Deting; Lv, Xiaoyi

2018-01-08

A backward ray-tracing method is proposed for aero-optics simulation. Different from forward tracing, the backward tracing direction is from the internal sensor to the distant target. Along this direction, the tracing in turn goes through the internal gas region, the aero-optics flow field, and the freestream. The coordinate value, the density, and the refractive index are calculated at each tracing step. A stopping criterion is developed to ensure the tracing stops at the outer edge of the aero-optics flow field. As a demonstration, the analysis is carried out for a typical blunt nosed vehicle. The backward tracing method and stopping criterion greatly simplify the ray-tracing computations in the aero-optics flow field, and they can be extended to our active laser illumination aero-optics study because of the reciprocity principle.

Highly resolved fluid flows: "liquid plasmas" at the kinetic level.

PubMed

Morfill, Gregor E; Rubin-Zuzic, Milenko; Rothermel, Hermann; Ivlev, Alexei V; Klumov, Boris A; Thomas, Hubertus M; Konopka, Uwe; Steinberg, Victor

2004-04-30

Fluid flow around an obstacle was observed at the kinetic (individual particle) level using "complex (dusty) plasmas" in their liquid state. These "liquid plasmas" have bulk properties similar to water (e.g., viscosity), and a comparison in terms of similarity parameters suggests that they can provide a unique tool to model classical fluids. This allows us to study "nanofluidics" at the most elementary-the particle-level, including the transition from fluid behavior to purely kinetic transport. In this (first) experimental investigation we describe the kinetic flow topology, discuss our observations in terms of fluid theories, and follow this up with numerical simulations.

Analysis of fluid fuel flow to the neutron kinetics on molten salt reactor FUJI-12

NASA Astrophysics Data System (ADS)

Aji, Indarta Kuncoro; Waris, Abdul; Permana, Sidik

2015-09-01

Molten Salt Reactor is a reactor are operating with molten salt fuel flowing. This condition interpret that the neutron kinetics of this reactor is affected by the flow rate of the fuel. This research analyze effect by the alteration velocity of the fuel by MSR type Fuji-12, with fuel composition LiF-BeF2-ThF4-233UF4 respectively 71.78%-16%-11.86%-0.36%. Calculation process in this study is performed numerically by SOR and finite difference method use C programming language. Data of reactivity, neutron flux, and the macroscopic fission cross section for calculation process obtain from SRAC-CITATION (Standard thermal Reactor Analysis Code) and JENDL-4.0 data library. SRAC system designed and developed by JAEA (Japan Atomic Energy Agency). This study aims to observe the effect of the velocity of fuel salt to the power generated from neutron precursors at fourth year of reactor operate (last critical condition) with number of multiplication effective; 1.0155.

Complications in complexation kinetics for lanthanides with DTPA using dye probe molecules in aqueous solution

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

Larsson, K.; Cullen, T. D.; Mezyk, S. P.

The complexation kinetics for the polyaminopolycarboxylic ligand DTPA to lanthanides in acidic aqueous solution were investigated using the dye ligand displacement technique and stopped-flow spectroscopy. Significant rate differences were obtained for different dye probes used, indicating that the kinetics of the dissociation of the dye molecule significantly impacts the overall measured kinetics when using this common methodology. The conditions of the solution also influenced the dye-lanthanide-DTPA interactions, which reconciled previously disparate data in the literature.

Complications in complexation kinetics for lanthanides with DTPA using dye probe molecules in aqueous solution

DOE PAGES

Larsson, K.; Cullen, T. D.; Mezyk, S. P.; ...

2017-05-17

The complexation kinetics for the polyaminopolycarboxylic ligand DTPA to lanthanides in acidic aqueous solution were investigated using the dye ligand displacement technique and stopped-flow spectroscopy. Significant rate differences were obtained for different dye probes used, indicating that the kinetics of the dissociation of the dye molecule significantly impacts the overall measured kinetics when using this common methodology. The conditions of the solution also influenced the dye-lanthanide-DTPA interactions, which reconciled previously disparate data in the literature.

Isospin effects on the system mass dependence of nuclear stopping around the energy of vanishing flow

NASA Astrophysics Data System (ADS)

Jain, Anupriya; Kumar, Suneel

2014-10-01

We study the effect of isospin degree of freedom on nuclear stopping throughout the mass range 50 and 350 for two sets of isotopic systems with N/Z ≈ 1.5 and 1.8, as well as isobaric systems with N/Z = 1.0 and 1.4. Analysis is carried out at incident energies below, at, and above the energy of vanishing flow (EVF) using the isospin-dependent quantum molecular dynamics model. Our findings reveal that nuclear stopping does not show any particular behavior at the EVF. Moreover, system size effects dominate the isospin effects throughout the range of colliding geometry. The Coulomb effects, however, become important at peripheral geometry. The comparative study of the counterbalancing of Coulomb and mean field by removing the nucleon-nucleon collisions and symmetry potential clearly indicates the dominance of nucleon-nucleon cross-section over the Coulomb repulsions. Moreover, the theoretical results presented in this manuscript for the set of reactions can be experimentally verified.

Large eddy simulation study of the kinetic energy entrainment by energetic turbulent flow structures in large wind farms

NASA Astrophysics Data System (ADS)

VerHulst, Claire; Meneveau, Charles

2014-02-01

In this study, we address the question of how kinetic energy is entrained into large wind turbine arrays and, in particular, how large-scale flow structures contribute to such entrainment. Previous research has shown this entrainment to be an important limiting factor in the performance of very large arrays where the flow becomes fully developed and there is a balance between the forcing of the atmospheric boundary layer and the resistance of the wind turbines. Given the high Reynolds numbers and domain sizes on the order of kilometers, we rely on wall-modeled large eddy simulation (LES) to simulate turbulent flow within the wind farm. Three-dimensional proper orthogonal decomposition (POD) analysis is then used to identify the most energetic flow structures present in the LES data. We quantify the contribution of each POD mode to the kinetic energy entrainment and its dependence on the layout of the wind turbine array. The primary large-scale structures are found to be streamwise, counter-rotating vortices located above the height of the wind turbines. While the flow is periodic, the geometry is not invariant to all horizontal translations due to the presence of the wind turbines and thus POD modes need not be Fourier modes. Differences of the obtained modes with Fourier modes are documented. Some of the modes are responsible for a large fraction of the kinetic energy flux to the wind turbine region. Surprisingly, more flow structures (POD modes) are needed to capture at least 40% of the turbulent kinetic energy, for which the POD analysis is optimal, than are needed to capture at least 40% of the kinetic energy flux to the turbines. For comparison, we consider the cases of aligned and staggered wind turbine arrays in a neutral atmospheric boundary layer as well as a reference case without wind turbines. While the general characteristics of the flow structures are robust, the net kinetic energy entrainment to the turbines depends on the presence and relative

A stroboscopic technique for using CCD cameras in flow visualization systems for continuous viewing and stop action photography

NASA Technical Reports Server (NTRS)

Franke, John M.; Rhodes, David B.; Jones, Stephen B.; Dismond, Harriet R.

1992-01-01

A technique for synchronizing a pulse light source to charge coupled device cameras is presented. The technique permits the use of pulse light sources for continuous as well as stop action flow visualization. The technique has eliminated the need to provide separate lighting systems at facilities requiring continuous and stop action viewing or photography.

Rethinking wave-kinetic theory applied to zonal flows

NASA Astrophysics Data System (ADS)

Parker, Jeffrey

2017-10-01

Over the past two decades, a number of studies have employed a wave-kinetic theory to describe fluctuations interacting with zonal flows. Recent work has uncovered a defect in this wave-kinetic formulation: the system is dominated by the growth of (arbitrarily) small-scale zonal structures. Theoretical calculations of linear growth rates suggest, and nonlinear simulations confirm, that this system leads to the concentration of zonal flow energy in the smallest resolved scales, irrespective of the numerical resolution. This behavior results from the assumption that zonal flows are extremely long wavelength, leading to the neglect of key terms responsible for conservation of enstrophy. A corrected theory, CE2-GO, is presented; it is free of these errors yet preserves the intuitive phase-space mathematical structure. CE2-GO properly conserves enstrophy as well as energy, and yields accurate growth rates of zonal flow. Numerical simulations are shown to be well-behaved and not dependent on box size. The steady-state limit simplifies into an exact wave-kinetic form which offers the promise of deeper insight into the behavior of wavepackets. The CE2-GO theory takes its place in a hierarchy of models as the geometrical-optics reduction of the more complete cumulant-expansion statistical theory CE2. The new theory represents the minimal statistical description, enabling an intuitive phase-space formulation and an accurate description of turbulence-zonal flow dynamics. This work was supported by an NSF Graduate Research Fellowship, a US DOE Fusion Energy Sciences Fellowship, and US DOE Contract Nos. DE-AC52-07NA27344 and DE-AC02-09CH11466.

Gas-kinetic unified algorithm for hypersonic flows covering various flow regimes solving Boltzmann model equation in nonequilibrium effect

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

Li, Zhihui; Ma, Qiang; Wu, Junlin

2014-12-09

Based on the Gas-Kinetic Unified Algorithm (GKUA) directly solving the Boltzmann model equation, the effect of rotational non-equilibrium is investigated recurring to the kinetic Rykov model with relaxation property of rotational degrees of freedom. The spin movement of diatomic molecule is described by moment of inertia, and the conservation of total angle momentum is taken as a new Boltzmann collision invariant. The molecular velocity distribution function is integrated by the weight factor on the internal energy, and the closed system of two kinetic controlling equations is obtained with inelastic and elastic collisions. The optimization selection technique of discrete velocity ordinatemore » points and numerical quadrature rules for macroscopic flow variables with dynamic updating evolvement are developed to simulate hypersonic flows, and the gas-kinetic numerical scheme is constructed to capture the time evolution of the discretized velocity distribution functions. The gas-kinetic boundary conditions in thermodynamic non-equilibrium and numerical procedures are studied and implemented by directly acting on the velocity distribution function, and then the unified algorithm of Boltzmann model equation involving non-equilibrium effect is presented for the whole range of flow regimes. The hypersonic flows involving non-equilibrium effect are numerically simulated including the inner flows of shock wave structures in nitrogen with different Mach numbers of 1.5-Ma-25, the planar ramp flow with the whole range of Knudsen numbers of 0.0009-Kn-10 and the three-dimensional re-entering flows around tine double-cone body.« less

Structural-Thermal-Optical-Performance (STOP) Analysis

NASA Technical Reports Server (NTRS)

Bolognese, Jeffrey; Irish, Sandra

2015-01-01

The presentation will be given at the 26th Annual Thermal Fluids Analysis Workshop (TFAWS 2015) hosted by the Goddard Spaceflight Center (GSFC) Thermal Engineering Branch (Code 545). A STOP analysis is a multidiscipline analysis, consisting of Structural, Thermal and Optical Performance Analyses, that is performed for all space flight instruments and satellites. This course will explain the different parts of performing this analysis. The student will learn how to effectively interact with each discipline in order to accurately obtain the system analysis results.

Electron and Positron Stopping Powers of Materials

National Institute of Standards and Technology Data Gateway

SRD 7 NIST Electron and Positron Stopping Powers of Materials (PC database for purchase)   The EPSTAR database provides rapid calculations of stopping powers (collisional, radiative, and total), CSDA ranges, radiation yields and density effect corrections for incident electrons or positrons with kinetic energies from 1 keV to 10 GeV, and for any chemically defined target material.

Analysis of fluid fuel flow to the neutron kinetics on molten salt reactor FUJI-12

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

Aji, Indarta Kuncoro, E-mail: indartaaji@s.itb.ac.id; Waris, Abdul, E-mail: awaris@fi.itb.ac.id; Permana, Sidik

Molten Salt Reactor is a reactor are operating with molten salt fuel flowing. This condition interpret that the neutron kinetics of this reactor is affected by the flow rate of the fuel. This research analyze effect by the alteration velocity of the fuel by MSR type Fuji-12, with fuel composition LiF-BeF{sub 2}-ThF{sub 4}-{sup 233}UF{sub 4} respectively 71.78%-16%-11.86%-0.36%. Calculation process in this study is performed numerically by SOR and finite difference method use C programming language. Data of reactivity, neutron flux, and the macroscopic fission cross section for calculation process obtain from SRAC-CITATION (Standard thermal Reactor Analysis Code) and JENDL-4.0 datamore » library. SRAC system designed and developed by JAEA (Japan Atomic Energy Agency). This study aims to observe the effect of the velocity of fuel salt to the power generated from neutron precursors at fourth year of reactor operate (last critical condition) with number of multiplication effective; 1.0155.« less

Measurement of the Turbulence Kinetic Energy Budget of a Turbulent Planar Wake Flow in Pressure Gradients

NASA Technical Reports Server (NTRS)

Liu, Xiao-Feng; Thomas, Flint O.; Nelson, Robert C.

2001-01-01

Turbulence kinetic energy (TKE) is a very important quantity for turbulence modeling and the budget of this quantity in its transport equation can provide insight into the flow physics. Turbulence kinetic energy budget measurements were conducted for a symmetric turbulent wake flow subjected to constant zero, favorable and adverse pressure gradients in year-three of research effort. The purpose of this study is to clarify the flow physics issues underlying the demonstrated influence of pressure gradient on wake development and provide experimental support for turbulence modeling. To ensure the reliability of these notoriously difficult measurements, the experimental procedure was carefully designed on the basis of an uncertainty analysis. Four different approaches, based on an isotropic turbulence assumption, a locally axisymmetric homogeneous turbulence assumption, a semi-isotropy assumption and a forced balance of the TKE equation, were applied for the estimate of the dissipation term. The pressure transport term is obtained from a forced balance of the turbulence kinetic energy equation. This report will present the results of the turbulence kinetic energy budget measurement and discuss their implication on the development of strained turbulent wakes.

Modified unified kinetic scheme for all flow regimes.

PubMed

Liu, Sha; Zhong, Chengwen

2012-06-01

A modified unified kinetic scheme for the prediction of fluid flow behaviors in all flow regimes is described. The time evolution of macrovariables at the cell interface is calculated with the idea that both free transport and collision mechanisms should be considered. The time evolution of macrovariables is obtained through the conservation constraints. The time evolution of local Maxwellian distribution is obtained directly through the one-to-one mapping from the evolution of macrovariables. These improvements provide more physical realities in flow behaviors and more accurate numerical results in all flow regimes especially in the complex transition flow regime. In addition, the improvement steps introduce no extra computational complexity.

Unfolding Kinetics of β-Lactoglobulin Induced by Surfactant and Denaturant: A Stopped-Flow/Fluorescence Study

PubMed Central

Viseu, Maria Isabel; Melo, Eduardo P.; Carvalho, Teresa Isabel; Correia, Raquel F.; Costa, Sílvia M. B.

2007-01-01

The β→α transition of β-lactoglobulin, a globular protein abundant in the milk of several mammals, is investigated in this work. This transition, induced by the cationic surfactant dodecyltrimethylammonium chloride (DTAC), is accompanied by partial unfolding of the protein. In this work, unfolding of bovine β-lactoglobulin in DTAC is compared with its unfolding induced by the chemical denaturant guanidine hydrochloride (GnHCl). The final protein states attained in the two media have quite different secondary structure: in DTAC the α-helical content increases, leading to the so-called α-state; in GnHCl the amount of ordered secondary-structure decreases, resulting in a random coil-rich final state (denatured, or D, state). To obtain information on both mechanistic routes, in DTAC and GnHCl, and to characterize intermediates, the kinetics of unfolding were investigated in the two media. Equilibrium and kinetic data show the partial accumulation of an on-pathway intermediate in each unfolding route: in DTAC, an intermediate (I1) with mostly native secondary structure but loose tertiary structure appears between the native (β) and α-states; in GnHCl, another intermediate (I2) appears between states β and D. Kinetic rate constants follow a linear Chevron-plot representation in GnHCl, but show a more complex mechanism in DTAC, which acts like a stronger binding species. PMID:17693475

Utilization of Stop-flow Micro-tubing Reactors for the Development of Organic Transformations.

PubMed

Toh, Ren Wei; Li, Jie Sheng; Wu, Jie

2018-01-04

A new reaction screening technology for organic synthesis was recently demonstrated by combining elements from both continuous micro-flow and conventional batch reactors, coined stop-flow micro-tubing (SFMT) reactors. In SFMT, chemical reactions that require high pressure can be screened in parallel through a safer and convenient way. Cross-contamination, which is a common problem in reaction screening for continuous flow reactors, is avoided in SFMT. Moreover, the commercially available light-permeable micro-tubing can be incorporated into SFMT, serving as an excellent choice for light-mediated reactions due to a more effective uniform light exposure, compared to batch reactors. Overall, the SFMT reactor system is similar to continuous flow reactors and more superior than batch reactors for reactions that incorporate gas reagents and/or require light-illumination, which enables a simple but highly efficient reaction screening system. Furthermore, any successfully developed reaction in the SFMT reactor system can be conveniently translated to continuous-flow synthesis for large scale production.

Kinetic Folding Mechanism of Erythropoietin

PubMed Central

Banks, Douglas D.; Scavezze, Joanna L.; Siska, Christine C.

2009-01-01

This report describes what to our knowledge is the first kinetic folding studies of erythropoietin, a glycosylated four-helical bundle cytokine responsible for the regulation of red blood cell production. Kinetic responses for folding and unfolding reactions initiated by manual mixing were monitored by far-ultraviolet circular dichroism and fluorescence spectroscopy, and folding reactions initiated by stopped-flow mixing were monitored by fluorescence. The urea concentration dependence of the observed kinetics were best described by a three-state model with a transiently populated intermediate species that is on-pathway and obligatory. This folding scheme was further supported by the excellent agreement between the free energy of unfolding and m-value calculated from the microscopic rate constants derived from this model and these parameters determined from separate equilibrium unfolding experiments. Compared to the kinetics of other members of the four-helical bundle cytokine family, erythropoietin folding and unfolding reactions were slower and less susceptible to aggregation. We tentatively attribute these slower rates and protection from association events to the large amount of carbohydrate attached to erythropoietin at four sites. PMID:19450492

A novel stopped flow injection-amperometric procedure for the determination of chlorate.

PubMed

Tue-Ngeun, Orawan; Jakmunee, Jaroon; Grudpan, Kate

2005-12-15

A novel stopped flow injection-amperometric (sFI-Amp) procedure for determination of chlorate has been developed. The reaction of chlorate with excess potassium iodide and hydrochloric acid, forming iodine/triiodide that is further electrochemically reduced at a glassy carbon electrode at +200mV versus Ag/AgCl electrode is employed. In order to increase sensitivity without using of too high acid concentration, promoting of the reaction by increasing reaction time and temperature can be carried out. This can be done without increase of dispersion of the product zone by stopping the flow while the injected zone is being in a mixing coil which is immersed in a water bath of 55+/-0.5 degrees C. In a closed system of FIA, a side reaction of oxygen with iodide is also minimized. Under a set of conditions, linear calibration graphs were in the ranges of 1.2x10(-6)-6.0x10(-5)moll(-1)and 6.0x10(-5)-6.0x10(-4)moll(-1). A sample throughput of 25h(-1) was accomplished. Relative standard deviation was 2% (n=21, 1.2x10(-4)moll(-1) chlorate). The proposed sFI-Amp procedure was successfully applied to the determination of chlorate in soil samples from longan plantation area.

Kinetic and dynamic probability-density-function descriptions of disperse turbulent two-phase flows

NASA Astrophysics Data System (ADS)

Minier, Jean-Pierre; Profeta, Christophe

2015-11-01

This article analyzes the status of two classical one-particle probability density function (PDF) descriptions of the dynamics of discrete particles dispersed in turbulent flows. The first PDF formulation considers only the process made up by particle position and velocity Zp=(xp,Up) and is represented by its PDF p (t ;yp,Vp) which is the solution of a kinetic PDF equation obtained through a flux closure based on the Furutsu-Novikov theorem. The second PDF formulation includes fluid variables into the particle state vector, for example, the fluid velocity seen by particles Zp=(xp,Up,Us) , and, consequently, handles an extended PDF p (t ;yp,Vp,Vs) which is the solution of a dynamic PDF equation. For high-Reynolds-number fluid flows, a typical formulation of the latter category relies on a Langevin model for the trajectories of the fluid seen or, conversely, on a Fokker-Planck equation for the extended PDF. In the present work, a new derivation of the kinetic PDF equation is worked out and new physical expressions of the dispersion tensors entering the kinetic PDF equation are obtained by starting from the extended PDF and integrating over the fluid seen. This demonstrates that, under the same assumption of a Gaussian colored noise and irrespective of the specific stochastic model chosen for the fluid seen, the kinetic PDF description is the marginal of a dynamic PDF one. However, a detailed analysis reveals that kinetic PDF models of particle dynamics in turbulent flows described by statistical correlations constitute incomplete stand-alone PDF descriptions and, moreover, that present kinetic-PDF equations are mathematically ill posed. This is shown to be the consequence of the non-Markovian characteristic of the stochastic process retained to describe the system and the use of an external colored noise. Furthermore, developments bring out that well-posed PDF descriptions are essentially due to a proper choice of the variables selected to describe physical systems

Modified kinetic theory applied to the shear flows of granular materials

DOE PAGES

Duan, Yifei; Feng, Zhi -Gang; Michaelides, Efstathios E.; ...

2017-04-11

Here, granular materials are characterized by large collections of discrete particles, where the particle-particle interactions are significantly more important than the particle-fluid interactions. The current kinetic theory captures fairly accurately the granular flow behavior in the dilute case, when only binary interactions are significant, but is not accurate at all in the dense flow regime, where multi-particle interactions and contacts must be modeled. To improve the kinetic theory results for granular flows in the dense flow regime, we propose a Modified Kinetic Theory (MKT) model that utilizes the contact duration or cut-off time to account for the complex particle-particle interactionsmore » in the dense regime. The contact duration model, also called TC model, is originally proposed by Luding and McNamara to solve the inelastic collapse issue existing in the Inelastic Hard Sphere (IHS) model. This model defines a cut-off time t c such that dissipation is not counted if the time between two consecutive contacts is less than t c. As shown in their study, the use of a cut-off time t c can also reduce the dissipation during multi-particle contacts. In this paper we relate the TC model with the Discrete Element Method (DEM) by choosing the cut-off time t c to be the duration of contact calculated from the linear-spring-dashpot soft-sphere model of the DEM. We examine two types of granular flows: simple shear flow and the plane shear flow, and compare the results of the classical Kinetic Theory (KT) model, the present MKT model, and the DEM model. Here, we show that the MKT model entails a significant improvement over the KT model for simple shear flows at inertial regimes. With the MKT model the calculations are close to the DEM results at solid fractions as high as 0.57. Even for the plane shear flows, where shear rate and solid fraction are inhomogeneous, the results of the MKT model agree very well with the DEM results.« less

Modified kinetic theory applied to the shear flows of granular materials

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

Duan, Yifei; Feng, Zhi -Gang; Michaelides, Efstathios E.

Here, granular materials are characterized by large collections of discrete particles, where the particle-particle interactions are significantly more important than the particle-fluid interactions. The current kinetic theory captures fairly accurately the granular flow behavior in the dilute case, when only binary interactions are significant, but is not accurate at all in the dense flow regime, where multi-particle interactions and contacts must be modeled. To improve the kinetic theory results for granular flows in the dense flow regime, we propose a Modified Kinetic Theory (MKT) model that utilizes the contact duration or cut-off time to account for the complex particle-particle interactionsmore » in the dense regime. The contact duration model, also called TC model, is originally proposed by Luding and McNamara to solve the inelastic collapse issue existing in the Inelastic Hard Sphere (IHS) model. This model defines a cut-off time t c such that dissipation is not counted if the time between two consecutive contacts is less than t c. As shown in their study, the use of a cut-off time t c can also reduce the dissipation during multi-particle contacts. In this paper we relate the TC model with the Discrete Element Method (DEM) by choosing the cut-off time t c to be the duration of contact calculated from the linear-spring-dashpot soft-sphere model of the DEM. We examine two types of granular flows: simple shear flow and the plane shear flow, and compare the results of the classical Kinetic Theory (KT) model, the present MKT model, and the DEM model. Here, we show that the MKT model entails a significant improvement over the KT model for simple shear flows at inertial regimes. With the MKT model the calculations are close to the DEM results at solid fractions as high as 0.57. Even for the plane shear flows, where shear rate and solid fraction are inhomogeneous, the results of the MKT model agree very well with the DEM results.« less

Characterization of the kinetics of Fe (II) binding by the R2 protein subunit of E. coli ribonucleotide reductase

NASA Astrophysics Data System (ADS)

Chaudhuri, Dipankar; , Joseph Martin Bollinger, Jr.

2008-07-01

The kinetics of Fe(II) binding to Escherichia coli Ribonucleotide reductase (R2) has been studied using rapid kinetics techniques including chemical quenched flow (CQF) Mössbauer spectroscopy. Based on the stopped flow absorption (SF-Abs) and CQF Mössbauer spectroscopy results, the pre-steady kinetics of binding of Fe(II) to the two sites A and B on R2 have been established with attendant conformational changes. Fe (II) binds to Site B tighter and faster and these and other results provide important information towards the di-iron cofactor assembly mechanism in R2 and could have possible implications for the development of modified and new anticancer and antiviral drugs.

Updated Chemical Kinetics and Sensitivity Analysis Code

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan

2005-01-01

An updated version of the General Chemical Kinetics and Sensitivity Analysis (LSENS) computer code has become available. A prior version of LSENS was described in "Program Helps to Determine Chemical-Reaction Mechanisms" (LEW-15758), NASA Tech Briefs, Vol. 19, No. 5 (May 1995), page 66. To recapitulate: LSENS solves complex, homogeneous, gas-phase, chemical-kinetics problems (e.g., combustion of fuels) that are represented by sets of many coupled, nonlinear, first-order ordinary differential equations. LSENS has been designed for flexibility, convenience, and computational efficiency. The present version of LSENS incorporates mathematical models for (1) a static system; (2) steady, one-dimensional inviscid flow; (3) reaction behind an incident shock wave, including boundary layer correction; (4) a perfectly stirred reactor; and (5) a perfectly stirred reactor followed by a plug-flow reactor. In addition, LSENS can compute equilibrium properties for the following assigned states: enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. For static and one-dimensional-flow problems, including those behind an incident shock wave and following a perfectly stirred reactor calculation, LSENS can compute sensitivity coefficients of dependent variables and their derivatives, with respect to the initial values of dependent variables and/or the rate-coefficient parameters of the chemical reactions.

Statistical analysis of kinetic energy entrainment in a model wind turbine array boundary layer

NASA Astrophysics Data System (ADS)

Cal, Raul Bayoan; Hamilton, Nicholas; Kang, Hyung-Suk; Meneveau, Charles

2012-11-01

For large wind farms, kinetic energy must be entrained from the flow above the wind turbines to replenish wakes and enable power extraction in the array. Various statistical features of turbulence causing vertical entrainment of mean-flow kinetic energy are studied using hot-wire velocimetry data taken in a model wind farm in a scaled wind tunnel experiment. Conditional statistics and spectral decompositions are employed to characterize the most relevant turbulent flow structures and determine their length-scales. Sweep and ejection events are shown to be the largest contributors to the vertical kinetic energy flux, although their relative contribution depends upon the location in the wake. Sweeps are shown to be dominant in the region above the wind turbine array. A spectral analysis of the data shows that large scales of the flow, about the size of the rotor diameter in length or larger, dominate the vertical entrainment. The flow is more incoherent below the array, causing decreased vertical fluxes there. The results show that improving the rate of vertical kinetic energy entrainment into wind turbine arrays is a standing challenge and would require modifying the large-scale structures of the flow. This work was funded in part by the National Science Foundation (CBET-0730922, CBET-1133800 and CBET-0953053).

Automated stopped-in-dual-loop flow analysis system for catalytic determination of vanadium in drinking water.

PubMed

Teshima, Norio; Kuno, Masami; Ueda, Minoru; Ueda, Hisashi; Ohno, Shinsuke; Sakai, Tadao

2009-07-15

An automated stopped-in-dual-loop flow analysis (SIDL-FA) system is proposed for the determination of vanadium in drinking water. The chemistry is based on the vanadium-catalyzed oxidation reaction of p-anisidine by bromate in the presence of Tiron as an activator to produce a dye (lambda(max)=510 nm). A SIDL-FA system basically consists of a selection valve, three pumps (one is for delivering of standard/sample, and others are for reagents), two six-way injection valves, a spectrophotometric detector and a data acquisition device. A 100-microL coiled loop around a heated device is fitted onto each six-way injection valve. A well-mixed solution containing reagents and standard/sample is loaded into the first loop on a six-way valve, and then the same solution is loaded into the second loop on another six-way valve. The solutions are isolated by switching these two six-way valves, so that the catalytic reaction can be promoted. The net waste can be zero in this stage, because all pumps are turned off. Then each resulting solution is dispensed to the detector with suitable time lag. A touchscreen controller is developed to automatically carry out the original SIDL-FA protocol. The proposed SIDL-FA method allows vanadium to be quantified in the range of 0.1-2 microg L(-1) and is applied to the determination of vanadium in drinking water samples.

Analysis of atmospheric flow over a surface protrusion using the turbulence kinetic energy equation with reference to aeronautical operating systems

NASA Technical Reports Server (NTRS)

Frost, W.; Harper, W. L.

1975-01-01

Flow over surface obstructions can produce significantly large wind shears such that adverse flying conditions can occur for aeronautical systems (helicopters, STOL vehicles, etc.). Atmospheric flow fields resulting from a semi-elliptical surface obstruction in an otherwise horizontally homogeneous statistically stationary flow are modelled with the boundary-layer/Boussinesq-approximation of the governing equation of fluid mechanics. The turbulence kinetic energy equation is used to determine the dissipative effects of turbulent shear on the mean flow. Iso-lines of turbulence kinetic energy and turbulence intensity are plotted in the plane of the flow and highlight regions of high turbulence intensity in the stagnation zone and sharp gradients in intensity along the transition from adverse to favourable pressure gradient. Discussion of the effects of the disturbed wind field in CTOL and STOL aircraft flight path and obstruction clearance standards is given. The results indicate that closer inspection of these presently recommended standards as influenced by wind over irregular terrains is required.

Implicit gas-kinetic unified algorithm based on multi-block docking grid for multi-body reentry flows covering all flow regimes

NASA Astrophysics Data System (ADS)

Peng, Ao-Ping; Li, Zhi-Hui; Wu, Jun-Lin; Jiang, Xin-Yu

2016-12-01

Based on the previous researches of the Gas-Kinetic Unified Algorithm (GKUA) for flows from highly rarefied free-molecule transition to continuum, a new implicit scheme of cell-centered finite volume method is presented for directly solving the unified Boltzmann model equation covering various flow regimes. In view of the difficulty in generating the single-block grid system with high quality for complex irregular bodies, a multi-block docking grid generation method is designed on the basis of data transmission between blocks, and the data structure is constructed for processing arbitrary connection relations between blocks with high efficiency and reliability. As a result, the gas-kinetic unified algorithm with the implicit scheme and multi-block docking grid has been firstly established and used to solve the reentry flow problems around the multi-bodies covering all flow regimes with the whole range of Knudsen numbers from 10 to 3.7E-6. The implicit and explicit schemes are applied to computing and analyzing the supersonic flows in near-continuum and continuum regimes around a circular cylinder with careful comparison each other. It is shown that the present algorithm and modelling possess much higher computational efficiency and faster converging properties. The flow problems including two and three side-by-side cylinders are simulated from highly rarefied to near-continuum flow regimes, and the present computed results are found in good agreement with the related DSMC simulation and theoretical analysis solutions, which verify the good accuracy and reliability of the present method. It is observed that the spacing of the multi-body is smaller, the cylindrical throat obstruction is greater with the flow field of single-body asymmetrical more obviously and the normal force coefficient bigger. While in the near-continuum transitional flow regime of near-space flying surroundings, the spacing of the multi-body increases to six times of the diameter of the single

Nuclear stopping and collective flow in CSR/LanZhou energy region

NASA Astrophysics Data System (ADS)

Luo, X.-F.; Dong, X.; Shao, M.; Li, C.; Chen, H.-F.; Wu, K.-J.; Xu, H.-S.

2011-06-01

Nuclear stopping and collective flow for two pairs of symmetric colliding nuclei: 238U+238U and 129Xe+129Xe, which are proposed to be accelerated on Cooling Storage Ring (CSR), External Target Facility (ETF), LanZhou, China, are studied by a hadronic transport model ART1.0. The incident beam energy of Uranium and Xenon can be delivered up to 520 MeV/nucleon and 900MeV/nucleon, respectively. At this CSR energy region, the hot, dense nuclear matter are thought to be obtained in the lab, which is an idea circumstance to study the nuclear equation of state (EoS). As deformation of the Uranium nuclei, it is predicted that significant large baryon density in the tip-tip U+U collision patterns and the large elliptic flow in body-body collision pattern are both avail to study the nuclear EoS.

Discrete kinetic models from funneled energy landscape simulations.

PubMed

Schafer, Nicholas P; Hoffman, Ryan M B; Burger, Anat; Craig, Patricio O; Komives, Elizabeth A; Wolynes, Peter G

2012-01-01

A general method for facilitating the interpretation of computer simulations of protein folding with minimally frustrated energy landscapes is detailed and applied to a designed ankyrin repeat protein (4ANK). In the method, groups of residues are assigned to foldons and these foldons are used to map the conformational space of the protein onto a set of discrete macrobasins. The free energies of the individual macrobasins are then calculated, informing practical kinetic analysis. Two simple assumptions about the universality of the rate for downhill transitions between macrobasins and the natural local connectivity between macrobasins lead to a scheme for predicting overall folding and unfolding rates, generating chevron plots under varying thermodynamic conditions, and inferring dominant kinetic folding pathways. To illustrate the approach, free energies of macrobasins were calculated from biased simulations of a non-additive structure-based model using two structurally motivated foldon definitions at the full and half ankyrin repeat resolutions. The calculated chevrons have features consistent with those measured in stopped flow chemical denaturation experiments. The dominant inferred folding pathway has an "inside-out", nucleation-propagation like character.

Substorm onset: Current sheet avalanche and stop layer

NASA Astrophysics Data System (ADS)

Haerendel, Gerhard

2015-03-01

A new scenario is presented for the onset of a substorm and the nature of the breakup arc. There are two main components, current sheet avalanche and stop layer. The first refers to an earthward flow of plasma and magnetic flux from the central current sheet of the tail, triggered spontaneously or by some unknown interaction with an auroral streamer or a suddenly appearing eastward flow at the end of the growth phase. The second offers a mechanism to stop the flow abruptly at the interface between magnetosphere and tail and extract momentum and energy to be partially processed locally and partially transmitted as Poynting flux toward the ionosphere. The stop layer has a width of the order of the ion inertial length. The different dynamics of the ions entering freely and the magnetized electrons create an electric polarization field which stops the ion flow and drives a Hall current by which flow momentum is transferred to the magnetic field. A simple formalism is used to describe the operation of the process and to enable quantitative conclusions. An important conclusion is that by necessity the stop layer is also highly structured in longitude. This offers a natural explanation for the coarse ray structure of the breakup arc as manifestation of elementary paths of energy and momentum transport. The currents aligned with the rays are balanced between upward and downward directions. While the avalanche is invoked for explaining the spontaneous substorm onset at the inner edge of the tail, the expansion of the breakup arc for many minutes is taken as evidence for a continued formation of new stop layers by arrival of flow bursts from the near-Earth neutral line. This is in line with earlier conclusions about the nature of the breakup arc. Small-scale structure, propagation speed, and energy flux are quantitatively consistent with observations. However, the balanced small-scale currents cannot constitute the substorm current wedge. The source of the latter must be

A Gas-Kinetic Scheme for Multimaterial Flows and Its Application in Chemical Reaction

NASA Technical Reports Server (NTRS)

Lian, Yongsheng; Xu, Kun

1999-01-01

This paper concerns the extension of the multicomponent gas-kinetic BGK-type scheme to multidimensional chemical reactive flow calculations. In the kinetic model, each component satisfies its individual gas-kinetic BGK equation and the equilibrium states of both components are coupled in space and time due to the momentum and energy exchange in the course of particle collisions. At the same time, according to the chemical reaction rule one component can be changed into another component with the release of energy, where the reactant and product could have different gamma. Many numerical test cases are included in this paper, which show the robustness and accuracy of kinetic approach in the description of multicomponent reactive flows.

A novel microfluidic mixer based on dual-hydrodynamic focusing for interrogating the kinetics of DNA-protein interaction.

PubMed

Li, Ying; Xu, Fei; Liu, Chao; Xu, Youzhi; Feng, Xiaojun; Liu, Bi-Feng

2013-08-21

Kinetic measurement of biomacromolecular interaction plays a significant role in revealing the underlying mechanisms of cellular activities. Due to the small diffusion coefficient of biomacromolecules, it is difficult to resolve the rapid kinetic process with traditional analytical methods such as stopped-flow or laminar mixers. Here, we demonstrated a unique continuous-flow laminar mixer based on microfluidic dual-hydrodynamic focusing to characterize the kinetics of DNA-protein interactions. The time window of this mixer for kinetics observation could cover from sub-milliseconds to seconds, which made it possible to capture the folding process with a wide dynamic range. Moreover, the sample consumption was remarkably reduced to <0.55 μL min⁻¹, over 1000-fold saving in comparison to those reported previously. We further interrogated the interaction kinetics of G-quadruplex and the single-stranded DNA binding protein, indicating that this novel micromixer would be a useful approach for analyzing the interaction kinetics of biomacromolecules.

Comparison of hydrodynamic and semi-kinetic treatments for plasma flow along closed field lines

NASA Technical Reports Server (NTRS)

Singh, Nagendra; Wilson, G. R.; Horwitz, J. L.

1993-01-01

Hydrodynamic and semi-kinetic treatments of plasma flow along closed geomagnetic field lines are compared. The hydrodynamic treatment is based on a simplified 16-moment set of transport equations as the equations for the heat flows are not solved; the heat flows are treated heuristically. The semi-kinetic treatment is based on a particle code. The comparison deals with the distributions of the plasma density, flow velocity, and parallel and perpendicular temperatures as obtained from the two treatments during the various stages of the flow. In the kinetic treatment, the appropriate boundary condition is the prescription of the velocity distribution functions for the particles entering the flux tubes at the ionospheric boundaries; those particles leaving the system are determined by the processes occurring in the flux tube. The prescribed distributions are half-Maxwellian with temperature T(sub 0) and density n(sub 0). In the hydrodynamic model, the prescribed boundary conditions are on density (n(sub 0)), flow velocity (V(sub 0)) and temperature (T(sub 0). It was found that results from the hydrodynamic treatment critically depend on V(sub 0); for early stages of the flow this treatment yields results in good agreement with those from the kinetic treatment, when V(sub 0) = square root of (kT(sub 0)/2 (pi)m), which is the average velocity of particles moving in a given direction for a Maxwellian distribution. During this early stage, the flows developing form the conjugate ionospheres show some distinct transitions. For the first hour or so, the flows are highly supersonic and penetrate deep into the opposite hemispheres, and both hydrodynamics and kinetic treatments yield almost similar features. It is found that during this period heatflow effects are negligibly small. When a flow penetrates deep into the opposite hemisphere, the kinetic treatment predicts reflection and setting up of counterstreaming. In contrast, the hydrodynamic treatment yields a shock in the

3D nozzle flow simulations including state-to-state kinetics calculation

NASA Astrophysics Data System (ADS)

Cutrone, L.; Tuttafesta, M.; Capitelli, M.; Schettino, A.; Pascazio, G.; Colonna, G.

2014-12-01

In supersonic and hypersonic flows, thermal and chemical non-equilibrium is one of the fundamental aspects that must be taken into account for the accurate characterization of the plasma. In this paper, we present an optimized methodology to approach plasma numerical simulation by state-to-state kinetics calculations in a fully 3D Navier-Stokes CFD solver. Numerical simulations of an expanding flow are presented aimed at comparing the behavior of state-to-state chemical kinetics models with respect to the macroscopic thermochemical non-equilibrium models that are usually used in the numerical computation of high temperature hypersonic flows. The comparison is focused both on the differences in the numerical results and on the computational effort associated with each approach.

An upwind, kinetic flux-vector splitting method for flows in chemical and thermal non-equilibrium

NASA Technical Reports Server (NTRS)

Eppard, W. M.; Grossman, B.

1993-01-01

We have developed new upwind kinetic difference schemes for flows with non-equilibrium thermodynamics and chemistry. These schemes are derived from the Boltzmann equation with the resulting Euler schemes developed as moments of the discretized Boltzmann scheme with a locally Maxwellian velocity distribution. Splitting the velocity distribution at the Boltzmann level is seen to result in a flux-split Euler scheme and is called Kinetic Flux Vector Splitting (KFVS). Extensions to flows with finite-rate chemistry and vibrational relaxation is accomplished utilizing nonequilibrium kinetic theory. Computational examples are presented comparing KFVS with the schemes of Van Leer and Roe for a quasi-one-dimensional flow through a supersonic diffuser, inviscid flow through two-dimensional inlet, and viscous flow over a cone at zero angle-of-attack. Calculations are also shown for the transonic flow over a bump in a channel and the transonic flow over an NACA 0012 airfoil. The results show that even though the KFVS scheme is a Riemann solver at the kinetic level, its behavior at the Euler level is more similar to the existing flux-vector splitting algorithms than to the flux-difference splitting scheme of Roe.

Abnormal early diastolic intraventricular flow 'kinetic energy index' assessed by vector flow mapping in patients with elevated filling pressure.

PubMed

Nogami, Yoshie; Ishizu, Tomoko; Atsumi, Akiko; Yamamoto, Masayoshi; Kawamura, Ryo; Seo, Yoshihiro; Aonuma, Kazutaka

2013-03-01

Recently developed vector flow mapping (VFM) enables evaluation of local flow dynamics without angle dependency. This study used VFM to evaluate quantitatively the index of intraventricular haemodynamic kinetic energy in patients with left ventricular (LV) diastolic dysfunction and to compare those with normal subjects. We studied 25 patients with estimated high left atrial (LA) pressure (pseudonormal: PN group) and 36 normal subjects (control group). Left ventricle was divided into basal, mid, and apical segments. Intraventricular haemodynamic energy was evaluated in the dimension of speed, and it was defined as the kinetic energy index. We calculated this index and created time-energy index curves. The time interval from electrocardiogram (ECG) R wave to peak index was measured, and time differences of the peak index between basal and other segments were defined as ΔT-mid and ΔT-apex. In both groups, early diastolic peak kinetic energy index in mid and apical segments was significantly lower than that in the basal segment. Time to peak index did not differ in apex, mid, and basal segments in the control group but was significantly longer in the apex than that in the basal segment in the PN group. ΔT-mid and ΔT-apex were significantly larger in the PN group than the control group. Multiple regression analysis showed sphericity index, E/E' to be significant independent variables determining ΔT apex. Retarded apical kinetic energy fluid dynamics were detected using VFM and were closely associated with LV spherical remodelling in patients with high LA pressure.

Interaction of dihydrofolate reductase with methotrexate: Ensemble and single-molecule kinetics

NASA Astrophysics Data System (ADS)

Rajagopalan, P. T. Ravi; Zhang, Zhiquan; McCourt, Lynn; Dwyer, Mary; Benkovic, Stephen J.; Hammes, Gordon G.

2002-10-01

The thermodynamics and kinetics of the interaction of dihydrofolate reductase (DHFR) with methotrexate have been studied by using fluorescence, stopped-flow, and single-molecule methods. DHFR was modified to permit the covalent addition of a fluorescent molecule, Alexa 488, and a biotin at the N terminus of the molecule. The fluorescent molecule was placed on a protein loop that closes over methotrexate when binding occurs, thus causing a quenching of the fluorescence. The biotin was used to attach the enzyme in an active form to a glass surface for single-molecule studies. The equilibrium dissociation constant for the binding of methotrexate to the enzyme is 9.5 nM. The stopped-flow studies revealed that methotrexate binds to two different conformations of the enzyme, and the association and dissociation rate constants were determined. The single-molecule investigation revealed a conformational change in the enzyme-methotrexate complex that was not observed in the stopped-flow studies. The ensemble averaged rate constants for this conformation change in both directions is about 2-4 s1 and is attributed to the opening and closing of the enzyme loop over the bound methotrexate. Thus the mechanism of methotrexate binding to DHFR involves multiple steps and protein conformational changes.

Additive Factors Analysis of Inhibitory Processing in the Stop-Signal Paradigm

ERIC Educational Resources Information Center

van den Wildenberg, W.P.M.; van der Molen, M.W.

2004-01-01

This article reports an additive factors analysis of choice reaction and selective stop processes manipulated in a stop-signal paradigm. Three experiments were performed in which stimulus discriminability (SD) and stimulus-response compatibility (SRC) were manipulated in a factorial fashion. In each experiment, the effects of SD and SRC were…

Reacting Flow in the Entrance to a Channel with Surface and Gas-Phase Kinetics

NASA Astrophysics Data System (ADS)

Mikolaitis, David; Griffen, Patrick

2006-11-01

In many catalytic reactors the conversion process is most intense at the very beginning of the channel where the flow is not yet fully developed; hence there will be important interactions between the developing flow field and reaction. To study this problem we have written an object-oriented code for the analysis of reacting flow in the entrance of a channel where both surface reaction and gas-phase reaction are modeled with detailed kinetics. Fluid mechanical momentum and energy equations are modeled by parabolic ``boundary layer''-type equations where streamwise gradient terms are small and the pressure is constant in the transverse direction. Transport properties are modeled with mixture-averaging and the chemical kinetic sources terms are evaluated using Cantera. Numerical integration is done with Matlab using the function pdepe. Calculations were completed using mixtures of methane and air flowing through a channel with platinum walls held at a fixed temperature. GRI-Mech 3.0 was used to describe the gas-phase chemistry and Deutchmann's methane-air-platinum model was used for the surface chemistry. Ignition in the gas phase is predicted for high enough wall temperatures. A hot spot forms away from the walls just before ignition that is fed by radicals produced at the surface.

Multiple-vehicle collision induced by a sudden stop in traffic flow

NASA Astrophysics Data System (ADS)

Sugiyama, Naoki; Nagatani, Takashi

2012-04-01

We study the dynamic process of the multiple-vehicle collision when a vehicle stops suddenly in a traffic flow. We apply the optimal-velocity model to the vehicular motion. If a vehicle does not decelerate successfully, it crashes into the vehicle ahead with a residual speed. The collision criterion is presented by vi(t)/Δxi(t)→∞ if Δxi(t)→0 where vi(t) and Δxi(t) are the speed and headway of vehicle i at time t. The number of crumpled vehicles depends on the initial velocity, the sensitivity, and the initial headway. We derive the region map (or phase diagram) for the multiple-vehicle collision.

A novel method to measure regional muscle blood flow continuously using NIRS kinetics information

PubMed Central

Nioka, Shoko; Kime, Ryotaro; Sunar, Ulas; Im, Joohee; Izzetoglu, Meltem; Zhang, Jun; Alacam, Burak; Chance, Britton

2006-01-01

Background This article introduces a novel method to continuously monitor regional muscle blood flow by using Near Infrared Spectroscopy (NIRS). We demonstrate the feasibility of the new method in two ways: (1) by applying this new method of determining blood flow to experimental NIRS data during exercise and ischemia; and, (2) by simulating muscle oxygenation and blood flow values using these newly developed equations during recovery from exercise and ischemia. Methods Deoxy (Hb) and oxyhemoglobin (HbO2), located in the blood ofthe skeletal muscle, carry two internal relationships between blood flow and oxygen consumption. One is a mass transfer principle and the other describes a relationship between oxygen consumption and Hb kinetics in a two-compartment model. To monitor blood flow continuously, we transfer these two relationships into two equations and calculate the blood flow with the differential information of HbO2 and Hb. In addition, these equations are used to simulate the relationship between blood flow and reoxygenation kinetics after cuff ischemia and a light exercise. Nine healthy subjects volunteered for the cuff ischemia, light arm exercise and arm exercise with cuff ischemia for the experimental study. Results Analysis of experimental data of both cuff ischemia and light exercise using the new equations show greater blood flow (four to six times more than resting values) during recovery, agreeing with previous findings. Further, the simulation and experimental studies of cuff ischemia and light exercise agree with each other. Conclusion We demonstrate the accuracy of this new method by showing that the blood flow obtained from the method agrees with previous data as well as with simulated data. We conclude that this novel continuous blood flow monitoring method can provide blood flow information non-invasively with NIRS. PMID:16704736

[Study of Reaction Dynamics between Bovine Serum Albumin and Folic Acid by Stopped-Flow/Fluorescence].

PubMed

Ye, San-xian; Luo, Yun-jing; Qiao, Shu-liang; Li, Li; Liu, Cai-hong; Shi, Jian-long; An, Xue-jing

2016-01-01

As a kind of coenzyme of one-carbon enzymes in vivo, folic acid belongs to B vitamins, which can interact with other vitamins and has great significance for converting among amino acids, dividing growth of cells and protein synthesis reactions. Half-life, concentration and reaction rate constant of drugs are important parameters in pharmacokinetic study. In this paper, by utilizing fluorescence spectrophotometer and stopped-flow spectrum analyzer, reaction kinetic parameters between bovine serum albumin(BSA) and folic acid in a bionic system have been investigated, which provide references for parameters of drug metabolism related to folic acid. By using Stern-Volmer equation dealing with fluorescence quenching experiments data, we concluded that under 25, 30, and 37 degrees C, the static quenching constants of folic acid to intrinsic fluorescence from bovine serum albumin were 2.455 x 10(10), 4.900 x 10(10) and 6.427 x 10(10) L x mol(-1) x s(-1) respectively; The results of kinetic reaction rate have shown that the reaction rate of BSA and folic acid are greater than 100 mol x L(-1) x s(-1) at different temperatures, pH and buffering media, illustrating that the quenching mechanism between BSA and folic acid is to form composite static quenching process. Reaction concentration of bovine serum albumin and its initial concentration were equal to the secondary reaction formula, and the correlation coefficient was 0.998 7, while the half-life (t1/2) was 0.059 s at physiological temperature. With the increase of folic acid concentration, the apparent rate constant of this reaction had a linear increasing trend, the BSA fluorescence quenching rate constant catalyzed by folic acid was 3.174 x 10(5) mol x L(-1) x s(-1). Furthermore, with different buffer, the apparent rate constant and reaction rate constant of BSA interacting with folic acid were detected to explore the influence on the reaction under physiological medium, which is of great significance to determine the

A kinetic theory treatment of heat transfer in plane Poiseuille flow with uniform pressure

NASA Technical Reports Server (NTRS)

Bahrami, Parviz A.

1992-01-01

Plane compressible Poiseuille flow with uniform pressure (Couette flow with stationary boundaries) is revisited where the Lees two-steam method with the Enskog equation of change is applied. Single particle velocity distribution functions are chosen, which preserve the essential physical features of this flow with arbitrary but uniform plate temperatures and gas pressure. Lower moments are shown to lead to expressions for the parameter functions, molecular number densities, and temperatures which are entirely in agreement with those obtained in the analysis of Lees for compressible plane Couette flow in the limit of low Mach number and vanishing mean gas velocity. Important simplifications result, which are helpful in gaining insight into the power of kinetic theory in fluid mechanics. The temperature distribution, heat flux, as well as density, are completely determined for the whole range of Knudson numbers from free molecular flow to the continuum regime, when the pressure level is specified.

First Order Kinetics Visualized by Capillary Flow and Simple Data Acquisition

ERIC Educational Resources Information Center

Festersen, Lea; Gilch, Peter; Reiffers, Anna; Mundt, Ramona

2018-01-01

First order processes are of paramount importance for chemical kinetics. In a well-established demonstration experiment, the flow of water out of a vertical glass tube through a capillary simulates a chemical first order process. Here, a digital version of this experiment for lecture hall demonstrations is presented. To this end, water flowing out…

Problems in rarefied flows and chemical kinetics

NASA Astrophysics Data System (ADS)

Zhang, Peng

the influence of the Knudsen layer, which reduces the heat loss to the disk as well as the flow stretch rate at the flame. In Part II, a theoretical analysis was performed for the head-on collision of two identical droplets in a gaseous environment, with the attendant bouncing and coalescence outcomes, for situations in which the extent of droplet deformation upon collision is comparable to the original droplet radius, corresponding to O(1--10) of the droplet Weber number. The model embodies the essential physics that describes the substantial amount of droplet deformation, the viscous loss through droplet internal motion induced by the deformation, the dynamics and rarefied nature of the gas film between the interfaces of the colliding droplets, and the potential destruction and thereby merging of these interfaces due to the van der Waals attraction force. The theoretical model was applied to investigate collisions involving hydrocarbon and water droplets at sub- and super-atmospheric pressures. In Part III, a fitting formula was first proposed to approximate the fall-off curves of the pressure- and temperature-dependent unimolecular reaction rate constants. Compared with the widely used Troe's formula, the present expression has the potential to substantially reduce the computation time in its evaluation because of the mathematical simplicity. Four testing reactions from the VariFlex program package were used to examine the accuracy of the present formula, showing improved performance as compared with previous expressions. Furthermore, the present formula shows improved computational efficiency compared to Troe's formula by savings of more than 60% computation time on its evaluation. Studies on chemical kinetics have also included a separate analysis on the decomposition kinetics of CH3NHNH2 (Monomethylhydrazine) with the ab initio transition state theory based master equation analyses. The simple NN and CN bond fissions to produce the radicals CH 3NH + NH2 or CH3

Stopping power of ions in a magnetized two-temperature plasma.

PubMed

Nersisyan, H B; Walter, M; Zwicknagel, G

2000-06-01

Using the dielectric theory for a weakly coupled plasma, we investigate the stopping power of an ion in an anisotropic two-temperature electron plasma in the presence of a magnetic field. The analysis is based on the assumption that the energy variation of the ion is much less than its kinetic energy. A general expression for the stopping power is analyzed for weak and strong magnetic fields (i.e., for the electron cyclotron frequency less than and greater than the plasma frequency), and for low and high ion velocities. It is found that the usually velocity independent friction coefficient contains an anomalous term which diverges logarithmically as the projectile velocity approaches zero. The physical origin of this anomalous term is the coupling between the cyclotron motion of the electrons and the long-wavelength, low-frequency fluctuations produced by the projectile ion.

LSENS, The NASA Lewis Kinetics and Sensitivity Analysis Code

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

2000-01-01

A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS (the NASA Lewis kinetics and sensitivity analysis code), are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include: static system; steady, one-dimensional, inviscid flow; incident-shock initiated reaction in a shock tube; and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method (LSODE, the Livermore Solver for Ordinary Differential Equations), which works efficiently for the extremes of very fast and very slow reactions, is used to solve the "stiff" ordinary differential equation systems that arise in chemical kinetics. For static reactions, the code uses the decoupled direct method to calculate sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters. Solution methods for the equilibrium and post-shock conditions and for perfectly stirred reactor problems are either adapted from or based on the procedures built into the NASA code CEA (Chemical Equilibrium and Applications).

The effects of 2 landing techniques on knee kinematics, kinetics, and performance during stop-jump and side-cutting tasks.

PubMed

Dai, Boyi; Garrett, William E; Gross, Michael T; Padua, Darin A; Queen, Robin M; Yu, Bing

2015-02-01

Anterior cruciate ligament injuries (ACL) commonly occur during jump landing and cutting tasks. Attempts to land softly and land with greater knee flexion are associated with decreased ACL loading. However, their effects on performance are unclear. Attempts to land softly will decrease peak posterior ground-reaction force (PPGRF) and knee extension moment at PPGRF compared with a natural landing during stop-jump and side-cutting tasks. Attempts to land with greater knee flexion at initial ground contact will increase knee flexion at PPGRF compared with a natural landing during both tasks. In addition, both landing techniques will increase stance time and lower extremity mechanical work as well as decrease jump height and movement speed compared with a natural landing during both tasks. Controlled laboratory study. A total of 18 male and 18 female recreational athletes participated in the study. Three-dimensional kinematic and kinetic data were collected during stop-jump and side-cutting tasks under 3 conditions: natural landing, soft landing, and landing with greater knee flexion at initial ground contact. Attempts to land softly decreased PPGRF and knee extension moment at PPGRF compared with a natural landing during stop-jump tasks. Attempts to land softly decreased PPGRF compared with a natural landing during side-cutting tasks. Attempts to land with greater knee flexion at initial ground contact increased knee flexion angle at PPGRF compared with a natural landing during both stop-jump and side-cutting tasks. Attempts to land softly and land with greater knee flexion at initial ground contact increased stance time and lower extremity mechanical work, as well as decreased jump height and movement speed during both stop-jump and side-cutting tasks. Although landing softly and landing with greater knee flexion at initial ground contact may reduce ACL loading during stop-jump and side-cutting tasks, the performance of these tasks decreased, as indicated by

Variational energy principle for compressible, baroclinic flow. 1: First and second variations of total kinetic action

NASA Technical Reports Server (NTRS)

Schmid, L. A.

1977-01-01

The case of a cold gas in the absence of external force fields is considered. Since the only energy involved is kinetic energy, the total kinetic action (i.e., the space-time integral of the kinetic energy density) should serve as the total free-energy functional in this case, and as such should be a local minimum for all possible fluctuations about stable flow. This conjecture is tested by calculating explicit, manifestly covariant expressions for the first and second variations of the total kinetic action in the context of Lagrangian kinematics. The general question of the correlation between physical stability and the convexity of any action integral that can be interpreted as the total free-energy functional of the flow is discussed and illustrated for the cases of rectillinear and rotating shearing flows.

Automatic generation of stop word lists for information retrieval and analysis

DOEpatents

Rose, Stuart J

2013-01-08

Methods and systems for automatically generating lists of stop words for information retrieval and analysis. Generation of the stop words can include providing a corpus of documents and a plurality of keywords. From the corpus of documents, a term list of all terms is constructed and both a keyword adjacency frequency and a keyword frequency are determined. If a ratio of the keyword adjacency frequency to the keyword frequency for a particular term on the term list is less than a predetermined value, then that term is excluded from the term list. The resulting term list is truncated based on predetermined criteria to form a stop word list.

NIMROD modeling of poloidal flow damping in tokamaks using kinetic closures

NASA Astrophysics Data System (ADS)

Jepson, J. R.; Hegna, C. C.; Held, E. D.

2017-10-01

Calculations of poloidal flow damping in a tokamak are undertaken using two different implementations of the ion drift kinetic equation (DKE) in the extended MHD code NIMROD. The first approach is hybrid fluid/kinetic and uses a Chapman Enskog-like (CEL) Ansatz. Closure of the evolving lower-order fluid moment equations for n, V , and T is provided by solutions to the ion CEL-DKE written in the macroscopic flow reference frame. The second implementation solves the DKE using a delta-f approach. Here, the delta-f distribution describes all of the information beyond a static, lowest-order Maxwellian. We compare the efficiency and accuracy of these two approaches for a simple initial value problem that monitors the relaxation of the poloidal flow profile in high- and low-aspect-ratio tokamak geometry. The computation results are compared against analytic predictions of time dependent closures for the parallel viscous force. Supported by DoE Grants DE-FG02-86ER53218 and DE-FG02-04ER54746.

The Lower Extremity Biomechanics of Single- and Double-Leg Stop-Jump Tasks

PubMed Central

2011-01-01

The anterior cruciate ligament (ACL) injury is a common occurrence in sports requiring stop-jump tasks. Single- and double-leg stop-jump techniques are frequently executed in sports. The higher risk of ACL injury in single-leg drop landing task compared to a double-leg drop landing task has been identified. However the injury bias between single- and double-leg landing techniques has not been investigated for stop-jump tasks. The purpose of this study was to determine the differences between single- and double-leg stop-jump tasks in knee kinetics that were influenced by the lower extremity kinematics during the landing phase. Ground reaction force, lower extremity kinematics, and knee kinetics data during the landing phase were obtained from 10 subjects performing single- and double-leg stop-jump tasks, using motion-capture system and force palates. Greater peak posterior and vertical ground reaction forces, and peak proximal tibia anterior and lateral shear forces (p < 0.05) during landing phase were observed of single-leg stop-jump. Single-leg stop-jump exhibited smaller hip and knee flexion angle, and knee flexion angular velocity at initial foot contact with the ground (p < 0.05). We found smaller peak hip and knee flexion angles (p < 0.05) during the landing phase of single-leg stop-jump. These results indicate that single-leg landing may have higher ACL injury risk than double-leg landing in stop-jump tasks that may be influenced by the lower extremity kinematics during the landing phase. Key points Non-contact ACL injuries are more likely to occur during the single-leg stop-jump task than during the double-leg stop-jump task. Single-leg stop-jump exhibited greater peak proximal tibia anterior and lateral shear forces, and peak posterior and vertical ground reaction forces during the landing phase than the double-leg stop-jump task. Single-leg stop-jump exhibited smaller hip flexion angle, knee flexion angle, and knee flexion angular velocity at initial foot

Analysis of Flow Cytometry DNA Damage Response Protein Activation Kinetics Following X-rays and High Energy Iron Nuclei Exposure

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

Universities Space Research Association; Chappell, Lori J.; Whalen, Mary K.

2010-12-15

We developed a mathematical method to analyze flow cytometry data to describe the kinetics of {gamma}H2AX and pATF2 phosphorylations ensuing various qualities of low dose radiation in normal human fibroblast cells. Previously reported flow cytometry kinetic results for these DSB repair phospho-proteins revealed that distributions of intensity were highly skewed, severely limiting the detection of differences in the very low dose range. Distributional analysis reveals significant differences between control and low dose samples when distributions are compared using the Kolmogorov-Smirnov test. Radiation quality differences are found in the distribution shapes and when a nonlinear model is used to relate dosemore » and time to the decay of the mean ratio of phosphoprotein intensities of irradiated samples to controls. We analyzed cell cycle phase and radiation quality dependent characteristic repair times and residual phospho-protein levels with these methods. Characteristic repair times for {gamma}H2AX were higher following Fe nuclei as compared to X-rays in G1 cells (4.5 {+-} 0.46 h vs 3.26 {+-} 0.76 h, respectively), and in S/G2 cells (5.51 {+-} 2.94 h vs 2.87 {+-} 0.45 h, respectively). The RBE in G1 cells for Fe nuclei relative to X-rays for {gamma}H2AX was 2.05 {+-} 0.61 and 5.02 {+-} 3.47, at 2 h and 24-h postirradiation, respectively. For pATF2, a saturation effect is observed with reduced expression at high doses, especially for Fe nuclei, with much slower characteristic repair times (>7 h) compared to X-rays. RBEs for pATF2 were 0.66 {+-} 0.13 and 1.66 {+-} 0.46 at 2 h and 24 h, respectively. Significant differences in {gamma}H2AX and pATF2 levels comparing irradiated samples to control were noted even at the lowest dose analyzed (0.05 Gy) using these methods of analysis. These results reveal that mathematical models can be applied to flow cytometry data to uncover important and subtle differences following exposure to various qualities of low dose

Calcium tracer kinetics show decreased irreversible flow to bone in glucocorticoid treated patients.

PubMed

Goans, R E; Weiss, G H; Abrams, S A; Perez, M D; Yergey, A L

1995-06-01

Osteopenia resulting from pharmacologic doses of glucocorticoids is well known. Previously, there has been no satisfactory quantitative model describing the kinetics of calcium flow in subjects on chronic steroid use. A mathematical model of calcium isotope interaction with bone is described and applied to determine an estimate of kinetic parameters characterizing these changes. Calcium tracer dilution kinetics after a bolus injection of 42Ca were measured in 14 subjects with juvenile dermatomyositis, 6 on prednisone regimens and 8 on treatment regimens without prednisone. Irreversible tracer loss from plasma bone is found to be significantly reduced (P = 0.043) in the glucocorticoid-treated patients compared with patients on nonsteroid regimens. Reversible flow to bone is noted to be similar in the two groups. These results suggest a direct effect of glucocorticoids on osteoblast function.

Rarefied gas flow simulations using high-order gas-kinetic unified algorithms for Boltzmann model equations

NASA Astrophysics Data System (ADS)

Li, Zhi-Hui; Peng, Ao-Ping; Zhang, Han-Xin; Yang, Jaw-Yen

2015-04-01

This article reviews rarefied gas flow computations based on nonlinear model Boltzmann equations using deterministic high-order gas-kinetic unified algorithms (GKUA) in phase space. The nonlinear Boltzmann model equations considered include the BGK model, the Shakhov model, the Ellipsoidal Statistical model and the Morse model. Several high-order gas-kinetic unified algorithms, which combine the discrete velocity ordinate method in velocity space and the compact high-order finite-difference schemes in physical space, are developed. The parallel strategies implemented with the accompanying algorithms are of equal importance. Accurate computations of rarefied gas flow problems using various kinetic models over wide ranges of Mach numbers 1.2-20 and Knudsen numbers 0.0001-5 are reported. The effects of different high resolution schemes on the flow resolution under the same discrete velocity ordinate method are studied. A conservative discrete velocity ordinate method to ensure the kinetic compatibility condition is also implemented. The present algorithms are tested for the one-dimensional unsteady shock-tube problems with various Knudsen numbers, the steady normal shock wave structures for different Mach numbers, the two-dimensional flows past a circular cylinder and a NACA 0012 airfoil to verify the present methodology and to simulate gas transport phenomena covering various flow regimes. Illustrations of large scale parallel computations of three-dimensional hypersonic rarefied flows over the reusable sphere-cone satellite and the re-entry spacecraft using almost the largest computer systems available in China are also reported. The present computed results are compared with the theoretical prediction from gas dynamics, related DSMC results, slip N-S solutions and experimental data, and good agreement can be found. The numerical experience indicates that although the direct model Boltzmann equation solver in phase space can be computationally expensive

Selection and stopping in voluntary action: A meta-analysis and combined fMRI study☆

PubMed Central

Rae, Charlotte L.; Hughes, Laura E.; Weaver, Chelan; Anderson, Michael C.; Rowe, James B.

2014-01-01

Voluntary action control requires selection of appropriate responses and stopping of inappropriate responses. Selection and stopping are often investigated separately, but they appear to recruit similar brain regions, including the pre-supplementary motor area (preSMA) and inferior frontal gyrus. We therefore examined the evidence for overlap of selection and stopping using two approaches: a meta-analysis of existing studies of selection and stopping, and a novel within-subject fMRI study in which action selection and a stop signal task were combined factorially. The novel fMRI study also permitted us to investigate hypotheses regarding a common mechanism for selection and stopping. The preSMA was identified by both methods as common to selection and stopping. However, stopping a selected action did not recruit preSMA more than stopping a specified action, nor did stop signal reaction times differ significantly across the two conditions. These findings suggest that the preSMA supports both action selection and stopping, but the two processes may not require access to a common inhibition mechanism. Instead, the preSMA might represent information about potential actions that is used in both action selection and stopping in order to resolve conflict between competing available responses. PMID:24128740

Stop-like modification of the dental fricative ∕ð∕: An acoustic analysis

PubMed Central

Zhao, Sherry Y.

2010-01-01

This study concentrates on one of the commonly occurring phonetic variations in English: the stop-like modification of the dental fricative ∕ð∕. The variant exhibits a drastic change from the canonical ∕ð∕; the manner of articulation is changed from one that is fricative to one that is stop-like. Furthermore, the place of articulation of stop-like ∕ð∕ has been a point of uncertainty, leading to confusion between stop-like ∕ð∕ and ∕d/. In this study, acoustic and spectral moment measures were taken from 100 stop-like ∕ð∕ and 102 ∕d/ tokens produced by 59 male and 23 female speakers in the TIMIT corpus. Data analysis indicated that stop-like ∕ð∕ is significantly different from ∕d/ in burst amplitude, burst spectrum shape, burst peak frequency, second formant at following-vowel onset, and spectral moments. Moreover, the acoustic differences from ∕d/ are consistent with those expected for a dental stop-like ∕ð∕. Automatic classification experiments involving these acoustic measures suggested that they are salient in distinguishing stop-like ∕ð∕ from ∕d/. PMID:20968372

Nonlinear saturation of the slab ITG instability and zonal flow generation with fully kinetic ions

NASA Astrophysics Data System (ADS)

Miecnikowski, Matthew T.; Sturdevant, Benjamin J.; Chen, Yang; Parker, Scott E.

2018-05-01

Fully kinetic turbulence models are of interest for their potential to validate or replace gyrokinetic models in plasma regimes where the gyrokinetic expansion parameters are marginal. Here, we demonstrate fully kinetic ion capability by simulating the growth and nonlinear saturation of the ion-temperature-gradient instability in shearless slab geometry assuming adiabatic electrons and including zonal flow dynamics. The ion trajectories are integrated using the Lorentz force, and the cyclotron motion is fully resolved. Linear growth and nonlinear saturation characteristics show excellent agreement with analogous gyrokinetic simulations across a wide range of parameters. The fully kinetic simulation accurately reproduces the nonlinearly generated zonal flow. This work demonstrates nonlinear capability, resolution of weak gradient drive, and zonal flow physics, which are critical aspects of modeling plasma turbulence with full ion dynamics.

Design and characterization of a prototype enzyme microreactor: quantification of immobilized transketolase kinetics.

PubMed

Matosevic, S; Lye, G J; Baganz, F

2010-01-01

In this work, we describe the design of an immobilized enzyme microreactor (IEMR) for use in transketolase (TK) bioconversion process characterization. The prototype microreactor is based on a 200-microm ID fused silica capillary for quantitative kinetic analysis. The concept is based on the reversible immobilization of His(6)-tagged enzymes via Ni-NTA linkage to surface derivatized silica. For the initial microreactor design, the mode of operation is a stop-flow analysis which promotes higher degrees of conversion. Kinetics for the immobilized TK-catalysed synthesis of L-erythrulose from substrates glycolaldehyde (GA) and hydroxypyruvate (HPA) were evaluated based on a Michaelis-Menten model. Results show that the TK kinetic parameters in the IEMR (V(max(app)) = 0.1 +/- 0.02 mmol min(-1), K(m(app)) = 26 +/- 4 mM) are comparable with those measured in free solution. Furthermore, the k(cat) for the microreactor of 4.1 x 10(5) s(-1) was close to the value for the bioconversion in free solution. This is attributed to the controlled orientation and monolayer surface coverage of the His(6)-immobilized TK. Furthermore, we show quantitative elution of the immobilized TK and the regeneration and reuse of the derivatized capillary over five cycles. The ability to quantify kinetic parameters of engineered enzymes at this scale has benefits for the rapid and parallel evaluation of evolved enzyme libraries for synthetic biology applications and for the generation of kinetic models to aid bioconversion process design and bioreactor selection as a more efficient alternative to previously established microwell-based systems for TK bioprocess characterization.

Effects of the in-medium nucleon-nucleon cross section on collective flow and nuclear stopping in heavy-ion collisions in the Fermi-energy domain

NASA Astrophysics Data System (ADS)

Li, Pengcheng; Wang, Yongjia; Li, Qingfeng; Guo, Chenchen; Zhang, Hongfei

2018-04-01

With the newly updated version of the ultrarelativistic quantum molecular dynamics (UrQMD) model, a systematic investigation of the effects of in-medium nucleon-nucleon (NN ) elastic cross section on the collective flow and the stopping observables in 197Au+197Au collisions at beam energies from 40 to 150 MeV/nucleon is performed. Simulations with the medium correction factors F =σNN in -medium/σNN free=0.2 ,0.3 ,0.5 and the one obtained with the FU3FP1 parametrization which depends on both the density and the momentum are compared to the FOPI and INDRA experimental data. It is found that, to best fit the experimental data of the slope of the directed flow and the elliptic flow at midrapidity as well as the nuclear stopping, the correction factors of F =0.2 and 0.5 are required for reactions at beam energies of 40 and 150 MeV/nucleon, respectively. Whereas calculations with the FU3FP1 parametrization can simultaneously reproduce these experimental data reasonably well. And, the observed increasing nuclear stopping with increasing beam energy in experimental data can also be reproduced by using the FU3FP1 parametrization, whereas the calculated stopping power in Au + Au collisions with beam energies from 40 to 150 MeV /nucleon almost remains constant when taking F equal to a fixed value.

Acquisition of initial /s/-stop and stop-/s/ sequences in Greek

PubMed Central

Syrika, Asimina; Nicolaidis, Katerina; Edwards, Jan; Beckman, Mary E.

2010-01-01

Previous work on children’s acquisition of complex sequences points to a tendency for affricates to be acquired before clusters, but there is no clear evidence of a difference in order of acquisition between clusters with /s/ that violate the Sonority Sequencing Principle (SSP), such as /s/ followed by stop in onset position, and other clusters that obey the SSP. One problem with studies that have compared the acquisition of SSP-obeying and SSP-violating clusters is that the component sounds in the two types of sequences were different. This paper examines the acquisition of initial /s/-stop and stop-/s/ sequences by sixty Greek children aged 2 through 5 years. Results showed greater accuracy for the /s/-stop relative to the stop-/s/ sequences, but no difference in accuracy between /ts/, which is usually analyzed as an affricate in Greek, and the other stop-/s/ sequences. Moreover, errors for the /s/-stop sequences and /ts/ primarily involved stop substitutions, whereas errors for /ps/ and /ks/ were more variable and often involved fricative substitutions, a pattern which may have a perceptual explanation. Finally, /ts/ showed a distinct temporal pattern relative to the stop-/s/ clusters /ps/ and /ks/, similarly to what has been reported for productions of Greek adults. PMID:22070044

Chemistry Resolved Kinetic Flow Modeling of TATB Based Explosives

NASA Astrophysics Data System (ADS)

Vitello, Peter; Fried, Lawrence; Howard, Mike; Levesque, George; Souers, Clark

2011-06-01

Detonation waves in insensitive, TATB based explosives are believed to have multi-time scale regimes. The initial burn rate of such explosives has a sub-microsecond time scale. However, significant late-time slow release in energy is believed to occur due to diffusion limited growth of carbon. In the intermediate time scale concentrations of product species likely change from being in equilibrium to being kinetic rate controlled. We use the thermo-chemical code CHEETAH linked to ALE hydrodynamics codes to model detonations. We term our model chemistry resolved kinetic flow as CHEETAH tracks the time dependent concentrations of individual species in the detonation wave and calculate EOS values based on the concentrations. A validation suite of model simulations compared to recent high fidelity metal push experiments at ambient and cold temperatures has been developed. We present here a study of multi-time scale kinetic rate effects for these experiments. Prepared by LLNL under Contract DE-AC52-07NA27344.

Kinetics-based phase change approach for VOF method applied to boiling flow

NASA Astrophysics Data System (ADS)

Cifani, Paolo; Geurts, Bernard; Kuerten, Hans

2014-11-01

Direct numerical simulations of boiling flows are performed to better understand the interaction of boiling phenomena with turbulence. The multiphase flow is simulated by solving a single set of equations for the whole flow field according to the one-fluid formulation, using a VOF interface capturing method. Interface terms, related to surface tension, interphase mass transfer and latent heat, are added at the phase boundary. The mass transfer rate across the interface is derived from kinetic theory and subsequently coupled with the continuum representation of the flow field. The numerical model was implemented in OpenFOAM and validated against 3 cases: evaporation of a spherical uniformly heated droplet, growth of a spherical bubble in a superheated liquid and two dimensional film boiling. The computational model will be used to investigate the change in turbulence intensity in a fully developed channel flow due to interaction with boiling heat and mass transfer. In particular, we will focus on the influence of the vapor bubble volume fraction on enhancing heat and mass transfer. Furthermore, we will investigate kinetic energy spectra in order to identify the dynamics associated with the wakes of vapor bubbles. Department of Applied Mathematics, 7500 AE Enschede, NL.

Effect of bus-stop spacing on mobile emissions in urban areas.

DOT National Transportation Integrated Search

2003-01-01

The operational effect of bus-stop spacing has been a critical issue. Closely spaced bus stops : disrupt the traffic flow on the bus route, particularly during peak hours because buses make frequent stops : to provide services to customers. The disru...

Wave kinetics of drift-wave turbulence and zonal flows beyond the ray approximation

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

Zhu, Hongxuan; Zhou, Yao; Ruiz, D. E.

Inhomogeneous drift-wave turbulence can be modeled as an effective plasma where drift waves act as quantumlike particles and the zonal-flow velocity serves as a collective field through which they interact. This effective plasma can be described by a Wigner-Moyal equation (WME), which generalizes the quasilinear wave-kinetic equation (WKE) to the full-wave regime, i.e., resolves the wavelength scale. Unlike waves governed by manifestly quantumlike equations, whose WMEs can be borrowed from quantum mechanics and are commonly known, drift waves have Hamiltonians very different from those of conventional quantum particles. This causes unusual phase-space dynamics that is typically not captured by themore » WKE. We demonstrate how to correctly model this dynamics with the WME instead. Specifically, we report full-wave phase-space simulations of the zonal-flow formation (zonostrophic instability), deterioration (tertiary instability), and the so-called predator-prey oscillations. We also show how the WME facilitates analysis of these phenomena, namely, (i) we show that full-wave effects critically affect the zonostrophic instability, particularly its nonlinear stage and saturation; (ii) we derive the tertiary-instability growth rate; and (iii) we demonstrate that, with full-wave effects retained, the predator-prey oscillations do not require zonal-flow collisional damping, contrary to previous studies. In conclusion, we also show how the famous Rayleigh-Kuo criterion, which has been missing in wave-kinetic theories of drift-wave turbulence, emerges from the WME.« less

Wave kinetics of drift-wave turbulence and zonal flows beyond the ray approximation

NASA Astrophysics Data System (ADS)

Zhu, Hongxuan; Zhou, Yao; Ruiz, D. E.; Dodin, I. Y.

2018-05-01

Inhomogeneous drift-wave turbulence can be modeled as an effective plasma where drift waves act as quantumlike particles and the zonal-flow velocity serves as a collective field through which they interact. This effective plasma can be described by a Wigner-Moyal equation (WME), which generalizes the quasilinear wave-kinetic equation (WKE) to the full-wave regime, i.e., resolves the wavelength scale. Unlike waves governed by manifestly quantumlike equations, whose WMEs can be borrowed from quantum mechanics and are commonly known, drift waves have Hamiltonians very different from those of conventional quantum particles. This causes unusual phase-space dynamics that is typically not captured by the WKE. We demonstrate how to correctly model this dynamics with the WME instead. Specifically, we report full-wave phase-space simulations of the zonal-flow formation (zonostrophic instability), deterioration (tertiary instability), and the so-called predator-prey oscillations. We also show how the WME facilitates analysis of these phenomena, namely, (i) we show that full-wave effects critically affect the zonostrophic instability, particularly its nonlinear stage and saturation; (ii) we derive the tertiary-instability growth rate; and (iii) we demonstrate that, with full-wave effects retained, the predator-prey oscillations do not require zonal-flow collisional damping, contrary to previous studies. We also show how the famous Rayleigh-Kuo criterion, which has been missing in wave-kinetic theories of drift-wave turbulence, emerges from the WME.

Wave kinetics of drift-wave turbulence and zonal flows beyond the ray approximation

DOE PAGES

Zhu, Hongxuan; Zhou, Yao; Ruiz, D. E.; ...

2018-05-29

Inhomogeneous drift-wave turbulence can be modeled as an effective plasma where drift waves act as quantumlike particles and the zonal-flow velocity serves as a collective field through which they interact. This effective plasma can be described by a Wigner-Moyal equation (WME), which generalizes the quasilinear wave-kinetic equation (WKE) to the full-wave regime, i.e., resolves the wavelength scale. Unlike waves governed by manifestly quantumlike equations, whose WMEs can be borrowed from quantum mechanics and are commonly known, drift waves have Hamiltonians very different from those of conventional quantum particles. This causes unusual phase-space dynamics that is typically not captured by themore » WKE. We demonstrate how to correctly model this dynamics with the WME instead. Specifically, we report full-wave phase-space simulations of the zonal-flow formation (zonostrophic instability), deterioration (tertiary instability), and the so-called predator-prey oscillations. We also show how the WME facilitates analysis of these phenomena, namely, (i) we show that full-wave effects critically affect the zonostrophic instability, particularly its nonlinear stage and saturation; (ii) we derive the tertiary-instability growth rate; and (iii) we demonstrate that, with full-wave effects retained, the predator-prey oscillations do not require zonal-flow collisional damping, contrary to previous studies. In conclusion, we also show how the famous Rayleigh-Kuo criterion, which has been missing in wave-kinetic theories of drift-wave turbulence, emerges from the WME.« less

Scan-rescan reproducibility of diastolic left ventricular kinetic energy, viscous energy loss and vorticity assessment using 4D flow MRI: analysis in healthy subjects.

PubMed

Kamphuis, Vivian P; Westenberg, Jos J M; van der Palen, Roel L F; van den Boogaard, Pieter J; van der Geest, Rob J; de Roos, Albert; Blom, Nico A; Roest, Arno A W; Elbaz, Mohammed S M

2018-01-05

The aim of the current study was to assess the scan-rescan reproducibility of left ventricular (LV) kinetic energy (KE), viscous energy loss (EL) and vorticity during diastole from four-dimensional flow magnetic resonance imaging (4D flow MRI) in healthy subjects. Twelve volunteers (age 27 ± 3 years) underwent whole-heart 4D flow MRI twice in one session. In-scan consistency was evaluated by correlation between KE and EL. EL index was computed to measure the amount of EL relative to KE over diastole. Scan-rescan analysis was performed to test reproducibility of volumetric measurements of KE, EL, EL index and vorticity in the LV over early (E) and late (A) diastolic filling. In-scan consistency between KE and EL was strong-excellent (E-filling scan1: r = 0.92, P < 0.001; scan2: ρ = 0.96, P < 0.001 and A-filling scan1: ρ = 0.87, P < 0.001; scan2: r = 0.99, P < 0.001). For the majority of subjects (10 out of 12), KE and EL measures showed good to strong reproducibility. However, with a wide range of agreement [intraclass correlation (ICC): 0.64-0.95] and coefficients of variation (CV) ≤ 25%. EL index showed strong reproducibility for all 12 subjects with a strong ICC (0.94, P < 0.001) and a CV of 9%. Scan-rescan reproducibility of volumetric vorticity showed good-excellent ICCs (0.83-0.95) with CVs ≤ 11%. In conclusion, the current study shows strong-excellent in-scan consistency and overall good agreement between scans for 4D flow MRI assessment of left ventricular kinetic energy, energy loss and vorticity over diastole. However, substantial differences between the scans were also found in some parameters in two out of twelve subjects. Strong reproducibility was found in the dimensionless EL index , which measures the amount of viscous energy loss relative to the average kinetic energy over diastole.

A gas kinetic scheme for hybrid simulation of partially rarefied flows

NASA Astrophysics Data System (ADS)

Colonia, S.; Steijl, R.; Barakos, G.

2017-06-01

Approaches to predict flow fields that display rarefaction effects incur a cost in computational time and memory considerably higher than methods commonly employed for continuum flows. For this reason, to simulate flow fields where continuum and rarefied regimes coexist, hybrid techniques have been introduced. In the present work, analytically defined gas-kinetic schemes based on the Shakhov and Rykov models for monoatomic and diatomic gas flows, respectively, are proposed and evaluated with the aim to be used in the context of hybrid simulations. This should reduce the region where more expensive methods are needed by extending the validity of the continuum formulation. Moreover, since for high-speed rare¦ed gas flows it is necessary to take into account the nonequilibrium among the internal degrees of freedom, the extension of the approach to employ diatomic gas models including rotational relaxation process is a mandatory first step towards realistic simulations. Compared to previous works of Xu and coworkers, the presented scheme is de¦ned directly on the basis of kinetic models which involve a Prandtl number correction. Moreover, the methods are defined fully analytically instead of making use of Taylor expansion for the evaluation of the required derivatives. The scheme has been tested for various test cases and Mach numbers proving to produce reliable predictions in agreement with other approaches for near-continuum flows. Finally, the performance of the scheme, in terms of memory and computational time, compared to discrete velocity methods makes it a compelling alternative in place of more complex methods for hybrid simulations of weakly rarefied flows.

Kinetics of Zn sorption-desorption using a thin disk flow method

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

Hinz, C.; Selim, H.M.

1999-02-01

In this study the authors investigated the kinetics of Zn sorption and desorption using a short column or thin disk method. The method is based on continuous flow through a thin soil layer where the effluent was collected using a fraction collector. Two soils were used: a Windsor soil and Mahan soil. Breakthrough results (BTCs) for different flow velocities indicated that Zn sorption is instantaneous and equilibrium retention is dominant when a pulse of Zn with a concentration of 2.62 [times] 10[sup [minus]5] M is applied. However, based on flow interruption, time-dependent Zn sorption-desorption processes were most pronounced when themore » applied Zn pulse concentration was two orders of magnitude lower. This confirms earlier findings of concentration-dependent kinetics from batch experiments on Windsor soil. The removal of organic matter and iron oxide, based on peroxide and peroxide/dithionite-treatments, resulted in doubling and quadrupling Zn retention, respectively, compared with the untreated Windsor soil. Differences between the untreated, peroxide-, and peroxide/dithionite-treated Windsor soils were most pronounced at low input Zn concentrations, suggesting that more specific sites became available as a result of the different treatments. At high input Zn concentrations, increases of specific sites may not be significant. For the treated soil, stronger sorption and desorption kinetic behavior was exhibited compared with the untreated soil. Diffusion into soil minerals or surface-controlled reactions may cause such behavior.« less

Influence of thermodynamically unfavorable secondary structures on DNA hybridization kinetics

PubMed Central

Hata, Hiroaki; Kitajima, Tetsuro

2018-01-01

Abstract Nucleic acid secondary structure plays an important role in nucleic acid–nucleic acid recognition/hybridization processes, and is also a vital consideration in DNA nanotechnology. Although the influence of stable secondary structures on hybridization kinetics has been characterized, unstable secondary structures, which show positive ΔG° with self-folding, can also form, and their effects have not been systematically investigated. Such thermodynamically unfavorable secondary structures should not be ignored in DNA hybridization kinetics, especially under isothermal conditions. Here, we report that positive ΔG° secondary structures can change the hybridization rate by two-orders of magnitude, despite the fact that their hybridization obeyed second-order reaction kinetics. The temperature dependence of hybridization rates showed non-Arrhenius behavior; thus, their hybridization is considered to be nucleation limited. We derived a model describing how ΔG° positive secondary structures affect hybridization kinetics in stopped-flow experiments with 47 pairs of oligonucleotides. The calculated hybridization rates, which were based on the model, quantitatively agreed with the experimental rate constant. PMID:29220504

The oxidation of phenol by ferrate(VI) and ferrate(V). A pulse radiolysis and stopped-flow study.

PubMed

Rush, J D; Cyr, J E; Zhao, Z; Bielski, B H

1995-04-01

Potassium ferrate, K2FeO4, is found to oxidize phenol in aqueous solution (5.5 < or = pH < or = 10) by a process which is second order in both reactants; -d[FeVI]/dt=k1[FeVI][phenol], k1 = 10(7)M-1s-1. Product analysis by HPLC showed a mixture of hydroxylated products, principally paraquinone, and biphenols that indicate that oxidation of phenol occurs by both one-electron and two-electron pathways. The two-electron oxidant, producing both para- and ortho-hydroxylated phenols is considered to be ferrate(V) which is itself produced by the initial one-electron reduction of ferrate(VI). The rate of ferrate(V) reaction with phenol was determined by pre-mix stopped flow pulse-radiolysis and found to be k7 = (3.8 +/- 0.4) x 10(5)M-1s-1.

Stopped-flow studies of changes in fluorescence of 8-anilino-1-naphthalene sulfonic acid caused by magnesium and salt binding to yeast enolase.

PubMed

Brewer, J M

1976-12-11

Stopped-flow studies of magnesium and salt (potassium chloride and acetate) effects on yeast enolase were carried out by following 8-anilino-1-naphthalenesulfonic acid fluorescence changes. The fluorescence changes appear to be largely caused by subunit association and dissociation, though there is evidence in some reactions for large changes in fluorescence occurring within the dead time of the stopped-flow measurements. These data are combined with measurements of initial enzyme activity after incubation in various solvents with or without magnesium to obtain subunit association and dissociation rates. From these, it is concluded that magnesium and the salts act by directly changing the affinities of the subunits for each other, apparently by producing a rapid change in protein conformation.

Stopping effects in U+U collisions with a beam energy of 520 MeV/nucleon

NASA Astrophysics Data System (ADS)

Luo, Xiao-Feng; Dong, Xin; Shao, Ming; Wu, Ke-Jun; Li, Cheng; Chen, Hong-Fang; Xu, Hu-Shan

2007-10-01

A relativistic transport model (ART1.0) is applied to simulate the stopping effects in tip-tip and body-body U+U collisions, at a beam kinetic energy of 520 MeV/nucleon. Our simulation results have demonstrated that both central collisions of the two extreme orientations can achieve full stopping and also form a bulk of hot, dense nuclear matter with a sufficiently large volume and long duration, because of the largely deformed uranium nuclei. The nucleon sideward flow in the tip-tip collisions is nearly three times larger than that in body-body ones at the normalized impact parameter b/bmax<0.5, and that the body-body central collisions have a large negative nucleon elliptic flow v2=-12% in contrast to zero in tip-tip ones. Thus the extreme circumstance and the novel experimental observables in tip-tip and body-body collisions can provide a good condition and sensitive probe for studying the nuclear EoS, respectively. The cooling storage ring (CSR) external target facility (ETF) to be built at Lanzhou, China, delivering a uranium beam up to 520 MeV/nucleon is expected to make a significant contribution to exploring the nuclear equation of state (EoS).

Evaluating tsunami hazards from debris flows

USGS Publications Warehouse

Watts, P.; Walder, J.S.; ,

2003-01-01

Debris flows that enter water bodies may have significant kinetic energy, some of which is transferred to water motion or waves that can impact shorelines and structures. The associated hazards depend on the location of the affected area relative to the point at which the debris flow enters the water. Three distinct regions (splash zone, near field, and far field) may be identified. Experiments demonstrate that characteristics of the near field water wave, which is the only coherent wave to emerge from the splash zone, depend primarily on debris flow volume, debris flow submerged time of motion, and water depth at the point where debris flow motion stops. Near field wave characteristics commonly may be used as & proxy source for computational tsunami propagation. This result is used to assess hazards associated with potential debris flows entering a reservoir in the northwestern USA. ?? 2003 Millpress,.

Requirement analysis for the one-stop logistics management of fresh agricultural products

NASA Astrophysics Data System (ADS)

Li, Jun; Gao, Hongmei; Liu, Yuchuan

2017-08-01

Issues and concerns for food safety, agro-processing, and the environmental and ecological impact of food production have been attracted many research interests. Traceability and logistics management of fresh agricultural products is faced with the technological challenges including food product label and identification, activity/process characterization, information systems for the supply chain, i.e., from farm to table. Application of one-stop logistics service focuses on the whole supply chain process integration for fresh agricultural products is studied. A collaborative research project for the supply and logistics of fresh agricultural products in Tianjin was performed. Requirement analysis for the one-stop logistics management information system is studied. The model-driven business transformation, an approach uses formal models to explicitly define the structure and behavior of a business, is applied for the review and analysis process. Specific requirements for the logistic management solutions are proposed. Development of this research is crucial for the solution of one-stop logistics management information system integration platform for fresh agricultural products.

From thermometric to spectrophotometric kinetic-catalytic methods of analysis. A review.

PubMed

Cerdà, Víctor; González, Alba; Danchana, Kaewta

2017-05-15

Kinetic-catalytic analytical methods have proved to be very easy and highly sensitive strategies for chemical analysis, that rely on simple instrumentation [1,2]. Molecular absorption spectrophotometry is commonly used as the detection technique. However, other detection systems, like electrochemical or thermometric ones, offer some interesting possibilities since they are not affected by the color or turbidity of the samples. In this review some initial experience with thermometric kinetic-catalytic methods is described, up to our current experience exploiting spectrophotometric flow techniques to automate this kind of reactions, including the use of integrated chips. Procedures for determination of inorganic and organic species in organic and inorganic matrices are presented. Copyright © 2017 Elsevier B.V. All rights reserved.

Performance Analysis of Stop-Skipping Scheduling Plans in Rail Transit under Time-Dependent Demand

PubMed Central

Cao, Zhichao; Yuan, Zhenzhou; Zhang, Silin

2016-01-01

Stop-skipping is a key method for alleviating congestion in rail transit, where schedules are sometimes difficult to implement. Several mechanisms have been proposed and analyzed in the literature, but very few performance comparisons are available. This study formulated train choice behavior estimation into the model considering passengers’ perception. If a passenger’s train path can be identified, this information would be useful for improving the stop-skipping schedule service. Multi-performance is a key characteristic of our proposed five stop-skipping schedules, but quantified analysis can be used to illustrate the different effects of well-known deterministic and stochastic forms. Problems in the novel category of forms were justified in the context of a single line rather than transit network. We analyzed four deterministic forms based on the well-known A/B stop-skipping operating strategy. A stochastic form was innovatively modeled as a binary integer programming problem. We present a performance analysis of our proposed model to demonstrate that stop-skipping can feasibly be used to improve the service of passengers and enhance the elasticity of train operations under demand variations along with an explicit parametric discussion. PMID:27420087

Performance Analysis of Stop-Skipping Scheduling Plans in Rail Transit under Time-Dependent Demand.

PubMed

Cao, Zhichao; Yuan, Zhenzhou; Zhang, Silin

2016-07-13

Stop-skipping is a key method for alleviating congestion in rail transit, where schedules are sometimes difficult to implement. Several mechanisms have been proposed and analyzed in the literature, but very few performance comparisons are available. This study formulated train choice behavior estimation into the model considering passengers' perception. If a passenger's train path can be identified, this information would be useful for improving the stop-skipping schedule service. Multi-performance is a key characteristic of our proposed five stop-skipping schedules, but quantified analysis can be used to illustrate the different effects of well-known deterministic and stochastic forms. Problems in the novel category of forms were justified in the context of a single line rather than transit network. We analyzed four deterministic forms based on the well-known A/B stop-skipping operating strategy. A stochastic form was innovatively modeled as a binary integer programming problem. We present a performance analysis of our proposed model to demonstrate that stop-skipping can feasibly be used to improve the service of passengers and enhance the elasticity of train operations under demand variations along with an explicit parametric discussion.

Nanoparticulate mackinawite formation; a stopped and continuous flow XANES and EXAFS investigation

NASA Astrophysics Data System (ADS)

Butler, I. B.; Bell, A. M.; Charnock, J. M.; Rickard, D.; Vaughan, D. J.; Oldroyd, A.

2009-12-01

The sequestration of sulfur and iron within sedimentary iron sulfides, and ultimately as pyrite, is a major sink in global biogeochemical cycles of those elements and has impacts on global carbon and oxygen cycles. The formation of the metastable black iron (II) monosulfide mackinawite is a key process because mackinawite forms in aqueous solutions where the Fe(II) and S(-II) IAP exceeds mackinawite’s Ksp. Mackinawite is the first formed iron sulfide phase, a consequence of Ostwald’s step rule and is a reactant phase during the formation of thermodynamically stable sedimentary iron sulfide minerals such as pyrite. The reaction of dissolved Fe(II) and sulfide is extremely fast and reactions in the environmentally significant near-neutral pH range tend to completion in <1 second. We have combined stopped and continuous flow techniques with X-ray absorption spectroscopy to evaluate the products of the fast precipitation kinetics of mackinawite over millisecond timescales. EXAFS spectra and data collected during flow experiments were compared with those from a well characterised freeze-dried nanoparticulate mackinawite standard and with published data. Published work has used Rietveld crystal structure refinement to determine bond distances of 2.2558 and 2.5976Å for Fe-S and Fe-Fe respectively. In our experiments Fe K edge XANES is consistent with tetrahedrally coordinated Fe in the precipitated sulfide phase. EXAFS data show that local Fe-S and Fe-Fe coordination and interatomic distances (Fe-S = 2.24Å; Fe-Fe = 2.57Å) are consistent with those determined for the standard mackinawite and published data. The coordination and spacing are developed in the precipitated phase after <10ms reaction at pH5, and considerably faster in experiments at near neutral to alkaline pH. No evidence for phases structurally intermediate between hexaqua Fe(II) and precipitated mackinawite was observed. Aqueous FeS° cluster complexes previously identified as intermediates during

Chemistry resolved kinetic flow modeling of TATB based explosives

NASA Astrophysics Data System (ADS)

Vitello, Peter; Fried, Laurence E.; William, Howard; Levesque, George; Souers, P. Clark

2012-03-01

Detonation waves in insensitive, TATB-based explosives are believed to have multiple time scale regimes. The initial burn rate of such explosives has a sub-microsecond time scale. However, significant late-time slow release in energy is believed to occur due to diffusion limited growth of carbon. In the intermediate time scale concentrations of product species likely change from being in equilibrium to being kinetic rate controlled. We use the thermo-chemical code CHEETAH linked to an ALE hydrodynamics code to model detonations. We term our model chemistry resolved kinetic flow, since CHEETAH tracks the time dependent concentrations of individual species in the detonation wave and calculates EOS values based on the concentrations. We present here two variants of our new rate model and comparison with hot, ambient, and cold experimental data for PBX 9502.

The Kinetic Reaction Mechanism of the Vibrio cholerae Sodium-dependent NADH Dehydrogenase*♦

PubMed Central

Tuz, Karina; Mezic, Katherine G.; Xu, Tianhao; Barquera, Blanca; Juárez, Oscar

2015-01-01

The sodium-dependent NADH dehydrogenase (Na+-NQR) is the main ion transporter in Vibrio cholerae. Its activity is linked to the operation of the respiratory chain and is essential for the development of the pathogenic phenotype. Previous studies have described different aspects of the enzyme, including the electron transfer pathways, sodium pumping structures, cofactor and subunit composition, among others. However, the mechanism of the enzyme remains to be completely elucidated. In this work, we have studied the kinetic mechanism of Na+-NQR with the use of steady state kinetics and stopped flow analysis. Na+-NQR follows a hexa-uni ping-pong mechanism, in which NADH acts as the first substrate, reacts with the enzyme, and the oxidized NAD leaves the catalytic site. In this conformation, the enzyme is able to capture two sodium ions and transport them to the external side of the membrane. In the last step, ubiquinone is bound and reduced, and ubiquinol is released. Our data also demonstrate that the catalytic cycle involves two redox states, the three- and five-electron reduced forms. A model that gathers all available information is proposed to explain the kinetic mechanism of Na+-NQR. This model provides a background to understand the current structural and functional information. PMID:26004776

Scales and kinetics of granular flows.

PubMed

Goldhirsch, I.

1999-09-01

When a granular material experiences strong forcing, as may be the case, e.g., for coal or gravel flowing down a chute or snow (or rocks) avalanching down a mountain slope, the individual grains interact by nearly instantaneous collisions, much like in the classical model of a gas. The dissipative nature of the particle collisions renders this analogy incomplete and is the source of a number of phenomena which are peculiar to "granular gases," such as clustering and collapse. In addition, the inelasticity of the collisions is the reason that granular gases, unlike atomic ones, lack temporal and spatial scale separation, a fact manifested by macroscopic mean free paths, scale dependent stresses, "macroscopic measurability" of "microscopic fluctuations" and observability of the effects of the Burnett and super-Burnett "corrections." The latter features may also exist in atomic fluids but they are observable there only under extreme conditions. Clustering, collapse and a kinetic theory for rapid flows of dilute granular systems, including a derivation of boundary conditions, are described alongside the mesoscopic properties of these systems with emphasis on the effects, theoretical conclusions and restrictions imposed by the lack of scale separation. (c) 1999 American Institute of Physics.

Adsorption-desorption of oxytetracycline on marine sediments: Kinetics and influencing factors.

PubMed

Li, Jia; Zhang, Hua

2016-12-01

To reveal the kinetics and mechanisms of antibiotic adsorption/desorption processes, batch and stirred flow chamber (SFC) experiments were carried out with oxytetracycline (OTC) on two marine sediments. The OTC adsorption capacities of the marine sediments were relatively weak and related to their organic carbon (OC) and contents of fine particles. Sorption isotherms of OTC on marine sediment can be well described by both the Langmuir and Freundlich models. Langmuir adsorption maxima (q max ) and Freundlich distribution coefficients (K f ) increased with the decrease of salinity and pH, which indicated the importance of variable charged sites on sediment surfaces. A second order kinetic model successfully described adsorption and desorption kinetics of OTC and well reproduced the concentration change during stop-flow. The adsorption kinetic rates (k a ) for OTC under different experimental conditions ranged from 2.00 × 10 -4 to 1.97 × 10 -3  L (mg min) -1 . Results of SFC experiments indicated that diffusive mass transfer was the dominant mechanism of the time-dependent adsorption of OTC and its release from marine sediment was mildly hysteretic. The high desorption percentage (43-75% for LZB and 58-75% for BHB) implied that binding strength of OTC on two marine sediments was weak. In conclusion, marine sediment characteristics and environmental factors such as salinity, pH, and flow rate are critical factors determine extent of OTC sorption on marine sediment and need to be incorporated in modeling fate and transport of OTC in marine environment. Copyright © 2016 Elsevier Ltd. All rights reserved.

Sample Handling and Chemical Kinetics in an Acoustically Levitated Drop Microreactor

PubMed Central

2009-01-01

Accurate measurement of enzyme kinetics is an essential part of understanding the mechanisms of biochemical reactions. The typical means of studying such systems use stirred cuvettes, stopped-flow apparatus, microfluidic systems, or other small sample containers. These methods may prove to be problematic if reactants or products adsorb to or react with the container’s surface. As an alternative approach, we have developed an acoustically-levitated drop reactor eventually intended to study enzyme-catalyzed reaction kinetics related to free radical and oxidative stress chemistry. Microliter-scale droplet generation, reactant introduction, maintenance, and fluid removal are all important aspects in conducting reactions in a levitated drop. A three capillary bundle system has been developed to address these needs. We report kinetic measurements for both luminol chemiluminescence and the reaction of pyruvate with nicotinamide adenine dinucleotide, catalyzed by lactate dehydrogenase, to demonstrate the feasibility of using a levitated drop in conjunction with the developed capillary sample handling system as a microreactor. PMID:19769373

Complete kinetic mechanism for recycling of the bacterial ribosome

PubMed Central

Borg, Anneli; Pavlov, Michael

2016-01-01

How EF-G and RRF act together to split a post-termination ribosomal complex into its subunits has remained obscure. Here, using stopped-flow experiments with Rayleigh light scattering detection and quench-flow experiments with radio-detection of GTP hydrolysis, we have clarified the kinetic mechanism of ribosome recycling and obtained precise estimates of its kinetic parameters. Ribosome splitting requires that EF-G binds to an already RRF-containing ribosome. EF-G binding to RRF-free ribosomes induces futile rounds of GTP hydrolysis and inhibits ribosome splitting, implying that while RRF is purely an activator of recycling, EF-G acts as both activator and competitive inhibitor of RRF in recycling of the post-termination ribosome. The ribosome splitting rate and the number of GTPs consumed per splitting event depend strongly on the free concentrations of EF-G and RRF. The maximal recycling rate, here estimated as 25 sec−1, is approached at very high concentrations of EF-G and RRF with RRF in high excess over EF-G. The present in vitro results, suggesting an in vivo ribosome recycling rate of ∼5 sec−1, are discussed in the perspective of rapidly growing bacterial cells. PMID:26527791

Cancer-adipose tissue interaction and fluid flow synergistically modulate cell kinetics, HER2 expression, and trastuzumab efficacy in gastric cancer.

PubMed

Akutagawa, Takashi; Aoki, Shigehisa; Yamamoto-Rikitake, Mihoko; Iwakiri, Ryuichi; Fujimoto, Kazuma; Toda, Shuji

2018-04-25

Early local tumor invasion in gastric cancer results in likely encounters between cancer cells and submucosal and subserosal adipose tissue, but these interactions remain to be clarified. Microenvironmental mechanical forces, such as fluid flow, are known to modulate normal cell kinetics, but the effects of fluid flow on gastric cancer cells are poorly understood. We analyzed the cell kinetics and chemosensitivity in gastric cancer using a simple in vitro model that simultaneously replicated the cancer-adipocyte interaction and physical microenvironment. Gastric cancer cells (MKN7 and MKN74) were seeded on rat adipose tissue fragment-embedded discs or collagen discs alone. To generate fluid flow, samples were placed on a rotatory shaker in a CO 2 incubator. Proliferation, apoptosis, invasion, and motility-related molecules were analyzed by morphometry and immunostaining. Proteins were evaluated by western blot analysis. Chemosensitivity was investigated by trastuzumab treatment. Adipose tissue and fluid flow had a positive synergistic effect on the proliferative potential and invasive capacity of gastric cancer cells, and adipose tissue inhibited apoptosis in these cells. Adipose tissue upregulated ERK1/2 signaling in gastric cancer cells, but downregulated p38 signaling. Notably, adipose tissue and fluid flow promoted membranous and cytoplasmic HER2 expression and modulated chemosensitivity to trastuzumab in gastric cancer cells. We have demonstrated that cancer-adipocyte interaction and physical microenvironment mutually modulate gastric cancer cell kinetics. Further elucidation of the microenvironmental regulation in gastric cancer will be very important for the development of strategies involving molecular targeted therapy.

Inhibitory motor control based on complex stopping goals relies on the same brain network as simple stopping

PubMed Central

Wessel, Jan R.; Aron, Adam R.

2014-01-01

Much research has modeled action-stopping using the stop-signal task (SST), in which an impending response has to be stopped when an explicit stop-signal occurs. A limitation of the SST is that real-world action-stopping rarely involves explicit stop-signals. Instead, the stopping-system engages when environmental features match more complex stopping goals. For example, when stepping into the street, one monitors path, velocity, size, and types of objects; and only stops if there is a vehicle approaching. Here, we developed a task in which participants compared the visual features of a multidimensional go-stimulus to a complex stopping-template, and stopped their go-response if all features matched the template. We used independent component analysis of EEG data to show that the same motor inhibition brain network that explains action-stopping in the SST also implements motor inhibition in the complex-stopping task. Furthermore, we found that partial feature overlap between go-stimulus and stopping-template lead to motor slowing, which also corresponded with greater stopping-network activity. This shows that the same brain system for action-stopping to explicit stop-signals is recruited to slow or stop behavior when stimuli match a complex stopping goal. The results imply a generalizability of the brain’s network for simple action-stopping to more ecologically valid scenarios. PMID:25270603

Unified gas-kinetic scheme with multigrid convergence for rarefied flow study

NASA Astrophysics Data System (ADS)

Zhu, Yajun; Zhong, Chengwen; Xu, Kun

2017-09-01

The unified gas kinetic scheme (UGKS) is based on direct modeling of gas dynamics on the mesh size and time step scales. With the modeling of particle transport and collision in a time-dependent flux function in a finite volume framework, the UGKS can connect the flow physics smoothly from the kinetic particle transport to the hydrodynamic wave propagation. In comparison with the direct simulation Monte Carlo (DSMC) method, the current equation-based UGKS can implement implicit techniques in the updates of macroscopic conservative variables and microscopic distribution functions. The implicit UGKS significantly increases the convergence speed for steady flow computations, especially in the highly rarefied and near continuum regimes. In order to further improve the computational efficiency, for the first time, a geometric multigrid technique is introduced into the implicit UGKS, where the prediction step for the equilibrium state and the evolution step for the distribution function are both treated with multigrid acceleration. More specifically, a full approximate nonlinear system is employed in the prediction step for fast evaluation of the equilibrium state, and a correction linear equation is solved in the evolution step for the update of the gas distribution function. As a result, convergent speed has been greatly improved in all flow regimes from rarefied to the continuum ones. The multigrid implicit UGKS (MIUGKS) is used in the non-equilibrium flow study, which includes microflow, such as lid-driven cavity flow and the flow passing through a finite-length flat plate, and high speed one, such as supersonic flow over a square cylinder. The MIUGKS shows 5-9 times efficiency increase over the previous implicit scheme. For the low speed microflow, the efficiency of MIUGKS is several orders of magnitude higher than the DSMC. Even for the hypersonic flow at Mach number 5 and Knudsen number 0.1, the MIUGKS is still more than 100 times faster than the DSMC method for

Comparative Kinetic Analysis of Closed-Ended and Open-Ended Porous Sensors

NASA Astrophysics Data System (ADS)

Zhao, Yiliang; Gaur, Girija; Mernaugh, Raymond L.; Laibinis, Paul E.; Weiss, Sharon M.

2016-09-01

Efficient mass transport through porous networks is essential for achieving rapid response times in sensing applications utilizing porous materials. In this work, we show that open-ended porous membranes can overcome diffusion challenges experienced by closed-ended porous materials in a microfluidic environment. A theoretical model including both transport and reaction kinetics is employed to study the influence of flow velocity, bulk analyte concentration, analyte diffusivity, and adsorption rate on the performance of open-ended and closed-ended porous sensors integrated with flow cells. The analysis shows that open-ended pores enable analyte flow through the pores and greatly reduce the response time and analyte consumption for detecting large molecules with slow diffusivities compared with closed-ended pores for which analytes largely flow over the pores. Experimental confirmation of the results was carried out with open- and closed-ended porous silicon (PSi) microcavities fabricated in flow-through and flow-over sensor configurations, respectively. The adsorption behavior of small analytes onto the inner surfaces of closed-ended and open-ended PSi membrane microcavities was similar. However, for large analytes, PSi membranes in a flow-through scheme showed significant improvement in response times due to more efficient convective transport of analytes. The experimental results and theoretical analysis provide quantitative estimates of the benefits offered by open-ended porous membranes for different analyte systems.

Analysis of fatal crashes due to signal and stop sign violations

DOT National Transportation Integrated Search

2004-09-01

The 1999 and 2000 Fatality Analysis Reporting System databases were analyzed to gain a better understanding of fatal crashes involving light vehicles that violated traffic signals or stop signs. A total of 9,951 vehicles were involved in fatal crashe...

Chemistry Resolved Kinetic Flow Modeling of TATB Based Explosives

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

Vitello, P A; Fried, L E; Howard, W M

2011-07-21

Detonation waves in insensitive, TATB based explosives are believed to have multi-time scale regimes. The initial burn rate of such explosives has a sub-microsecond time scale. However, significant late-time slow release in energy is believed to occur due to diffusion limited growth of carbon. In the intermediate time scale concentrations of product species likely change from being in equilibrium to being kinetic rate controlled. They use the thermo-chemical code CHEETAH linked to an ALE hydrodynamics code to model detonations. They term their model chemistry resolved kinetic flow as CHEETAH tracks the time dependent concentrations of individual species in the detonationmore » wave and calculates EOS values based on the concentrations. A HE-validation suite of model simulations compared to experiments at ambient, hot, and cold temperatures has been developed. They present here a new rate model and comparison with experimental data.« less

On the thermodynamic and kinetic investigations of a [c2]daisy chain polymer

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

Hmadeh, Mohamad; Fang, Lei; Trabolsi, Ali

2010-01-01

We report a variety of [c2]daisy chain molecules which undergo quantitative, efficient, and fully reversible molecular movements upon the addition of base/acid in organic solvents. Such externally triggered molecular movements can induce the contraction and extension of the [c2]daisy chain molecule as a whole. A linear polymer of such a bistable [c2]daisy chain exerts similar types of movements and can be looked upon as a candidate for the development of artificial muscles. The spectrophotometric investigations of both the monomeric and polymeric bistable [c2]daisy chains, as well as the corresponding model compounds, were performed in MeCN at room temperature, in ordermore » to obtain the thermodynamic parameters for these mechanically interlocked molecules. Based on their spectrophotometric and thermodynamic characteristics, kinetic analysis of the acid/base-induced contraction and extension of the [c2]daisy chain monomer and polymer were conducted by employing a stopped-flow technique. These kinetic data suggest that the rates of contraction and extension for these [c2]daisy chain molecules are determined by the thermodynamic stabilities of the corresponding kinetic intermediates. Faster switching rates for both the contraction and extension processes of the polymeric [c2]daisy chain were observed when compared to those of its monomeric counterpart. These kinetic and thermodynamic investigations on [c2]daisy chain-based muscle-like compounds provide important information for those seeking an understanding of the mechanisms of actuation in mechanically interlocked macromolecules.« less

A Pre-Steady State Kinetic Analysis of the αY60W mutant of trans-3-Chloroacrylic Acid Dehalogenase: Implications for the Mechanism of the Wild-type Enzyme†

PubMed Central

Huddleston, Jamison P.; Schroeder, Gottfried K.; Johnson, Kenneth A.; Whitman, Christian P.

2012-01-01

The bacterial degradation of the nematicide 1,3-dichloropropene, an isomeric mixture, requires the action of trans- and cis-3-chloracrylic acid dehalogenase (CaaD and cis-CaaD, respectively). Both enzymes are tautomerase superfamily members and share a core catalytic mechanism for the hydrolytic dehalogenation of the respective isomer of 3-haloacrylate. The observation that cis-CaaD requires two additional residues raises the question of how CaaD carries out a comparable reaction with fewer catalytic residues. As part of an effort to determine the basis for the apparently simpler CaaD-catalyzed reaction, the kinetic mechanism was determined by stopped-flow and chemical quench techniques using a fluorescent mutant form of the enzyme, αY60W-CaaD, and trans-3-bromoacrylate as the substrate. The data from these experiments as well as bromide inhibition studies are best accommodated by a six-step model that provides individual rate constants for substrate binding, chemistry, and a proposed conformational change occurring after chemistry followed by release of malonate semialdehyde and bromide. The conformational change and product release rates are comparable and together they limit the rate of turnover. The kinetic analysis and modeling studies validate the αY60W-CaaD mutant as an accurate reporter of active site events during the course of the enzyme-catalyzed reaction. The kinetic mechanism for the αY60W-CaaD-catalyzed reaction is comparable to that obtained for the cis-CaaD-catalyzed reaction. The kinetic model and the validated αY60W-CaaD mutant set the stage for an analysis of active site mutants to explore the contributions of individual catalytic residues and the basis for the simplicity of the reaction. PMID:23110338

2D Kinetic Particle in Cell Simulations of a Shear-Flow Stabilized Z-Pinch

NASA Astrophysics Data System (ADS)

Tummel, Kurt; Higginson, Drew; Schmidt, Andrea; Link, Anthony; McLean, Harry; Shumlak, Uri; Nelson, Brian; Golingo, Raymond; Claveau, Elliot; Lawrence Livermore National Lab Team; University of Washington Team

2016-10-01

The Z-pinch is a relatively simple and attractive potential fusion reactor design, but attempts to develop such a reactor have consistently struggled to overcome Z-pinch instabilities. The ``sausage'' and ``kink'' modes are among the most robust and prevalent Z-pinch instabilities, but theory and simulations suggest that axial flow-shear, dvz / dr ≠ 0 , can suppress these modes. Experiments have confirmed that Z-pinch plasmas with embedded axial flow-shear display a significantly enhanced resilience to the sausage and kink modes at a demonstration current of 50kAmps. A new experiment is under way to test the concept at higher current, and efforts to model these plasmas are being expanded. The performance and stability of these devices will depend on features like the plasma viscosity, anomalous resistivity, and finite Larmor radius effects, which are most accurately characterized in kinetic models. To predict these features, kinetic simulations using the particle in cell code LSP are now in development, and initial benchmarking and 2D stability analyses of the sausage mode are presented here. These results represent the first kinetic modeling of the flow-shear stabilized Z-pinch. This work is funded by the USDOE/ARPAe Alpha Program. Prepared by LLNL under Contract DE-AC52-07NA27344.

Empirical model for the volume-change behavior of debris flows

USGS Publications Warehouse

Cannon, S.H.; ,

1993-01-01

The potential travel down hillsides; movement stops where the volume-change behavior of flows as they travel down hillsides ; movement stops where the volume of actively flowing debris becomes negligible. The average change in volume over distance for 26 recent debris flows in the Honolulu area was assumed to be a function of the slope over which the debris flow traveled, the degree of flow confinement by the channel, and an assigned value for the type of vegetation through which the debris flow traveled. Analysis of the data yielded a relation that can be incorporated into digital elevation models to characterize debris-flow travel on Oahu.

General chemical kinetics computer program for static and flow reactions, with application to combustion and shock-tube kinetics

NASA Technical Reports Server (NTRS)

Bittker, D. A.; Scullin, V. J.

1972-01-01

A general chemical kinetics program is described for complex, homogeneous ideal-gas reactions in any chemical system. Its main features are flexibility and convenience in treating many different reaction conditions. The program solves numerically the differential equations describing complex reaction in either a static system or one-dimensional inviscid flow. Applications include ignition and combustion, shock wave reactions, and general reactions in a flowing or static system. An implicit numerical solution method is used which works efficiently for the extreme conditions of a very slow or a very fast reaction. The theory is described, and the computer program and users' manual are included.

A Century of Enzyme Kinetic Analysis, 1913 to 2013

PubMed Central

Johnson, Kenneth A.

2013-01-01

This review traces the history and logical progression of methods for quantitative analysis of enzyme kinetics from the 1913 Michaelis and Menten paper to the application of modern computational methods today. Following a brief review of methods for fitting steady state kinetic data, modern methods are highlighted for fitting full progress curve kinetics based upon numerical integration of rate equations, including a re-analysis of the original Michaelis-Menten full time course kinetic data. Finally, several illustrations of modern transient state kinetic methods of analysis are shown which enable the elucidation of reactions occurring at the active sites of enzymes in order to relate structure and function. PMID:23850893

Discrete unified gas kinetic scheme for all Knudsen number flows. III. Binary gas mixtures of Maxwell molecules

NASA Astrophysics Data System (ADS)

Zhang, Yue; Zhu, Lianhua; Wang, Ruijie; Guo, Zhaoli

2018-05-01

Recently a discrete unified gas kinetic scheme (DUGKS) in a finite-volume formulation based on the Boltzmann model equation has been developed for gas flows in all flow regimes. The original DUGKS is designed for flows of single-species gases. In this work, we extend the DUGKS to flows of binary gas mixtures of Maxwell molecules based on the Andries-Aoki-Perthame kinetic model [P. Andries et al., J. Stat. Phys. 106, 993 (2002), 10.1023/A:1014033703134. A particular feature of the method is that the flux at each cell interface is evaluated based on the characteristic solution of the kinetic equation itself; thus the numerical dissipation is low in comparison with that using direct reconstruction. Furthermore, the implicit treatment of the collision term enables the time step to be free from the restriction of the relaxation time. Unlike the DUGKS for single-species flows, a nonlinear system must be solved to determine the interaction parameters appearing in the equilibrium distribution function, which can be obtained analytically for Maxwell molecules. Several tests are performed to validate the scheme, including the shock structure problem under different Mach numbers and molar concentrations, the channel flow driven by a small gradient of pressure, temperature, or concentration, the plane Couette flow, and the shear driven cavity flow under different mass ratios and molar concentrations. The results are compared with those from other reliable numerical methods. The results show that the proposed scheme is an effective and reliable method for binary gas mixtures in all flow regimes.

Role of RhAG and AQP1 in NH3 and CO2 gas transport in red cell ghosts: a stopped-flow analysis.

PubMed

Ripoche, P; Goossens, D; Devuyst, O; Gane, P; Colin, Y; Verkman, A S; Cartron, J-P

2006-01-01

To clarify the potential role Rh/RhAG and AQP1 proteins in erythrocyte gas transport, NH3 and CO2 transport was measured in erythrocyte ghost membrane vesicles from rare human variants (Rh(null), CO(null),) and knockout mice (homozygous AQP1-/-, Rh-/- and Rhag-/-) exhibiting well-characterized protein defects. Transport was measured from intracellular pH (pHi) changes in a stopped-flow fluorimeter. NH3 transport was measured in chloride-free conditions with ghosts exposed to 20 mM inwardly directed gradients of gluconate salts of ammonium, hydrazine and methylammonium at 15 degrees C. Alkalinization rates of control samples were 6.5+/-0.3, 4.03+/-0.17, 0.95+/-0.08 s(-1) for each solute, respectively, but were significantly reduced for Rh(null) and CO(null) samples that are deficient in RhAG and AQP1 proteins, respectively. Alkalinization rates of Rh(null) ghosts were about 60%, 83% and 94% lower than that in control ghosts, respectively, for each solute. In CO(null) ghosts, the lack of AQP1 resulted in about 30% reduction of the alkalinization rates as compared to controls, but the transport selectivity of RhAG for the three solutes was preserved. Similar observations were made with ghosts from KO mice Rhag-/- and AQP1-/-. These results confirm the major contribution of RhAG/Rhag in the NH3 conductance of erythrocytes and suggest that the reduction of transport rates in the absence of AQP1 would be better explained by a direct or indirect effect on RhAG/Rhag-mediated transport. When ghosts were preloaded with carbonic anhydrase and exposed to a 25 mM CO2/HCO3- gradient at 6 degrees C, an extremely rapid kinetics of acidification corresponding to CO2 influx was observed. The rate constants were not significantly different between controls and human variants (125+/-6 s(-1)), or between wild-type and KO mice, suggesting no major role of RhAG or AQP1 in CO2 transport, at least in our experimental conditions.

Energy flow analysis during the tennis serve: comparison between injured and noninjured tennis players.

PubMed

Martin, Caroline; Bideau, Benoit; Bideau, Nicolas; Nicolas, Guillaume; Delamarche, Paul; Kulpa, Richard

2014-11-01

Energy flow has been hypothesized to be one of the most critical biomechanical concepts related to tennis performance and overuse injuries. However, the relationships among energy flow during the tennis serve, ball velocity, and overuse injuries have not been assessed. To investigate the relationships among the quality and magnitude of energy flow, the ball velocity, and the peaks of upper limb joint kinetics and to compare the energy flow during the serve between injured and noninjured tennis players. Case-control study; Level of evidence, 3. The serves of expert tennis players were recorded with an optoelectronic motion capture system. The forces and torques of the upper limb joints were calculated from the motion captures by use of inverse dynamics. The amount of mechanical energy generated, absorbed, and transferred was determined by use of a joint power analysis. Then the players were followed during 2 seasons to identify upper limb overuse injuries with a questionnaire. Finally, players were classified into 2 groups according to the questionnaire results: injured or noninjured. Ball velocity increased and upper limb joint kinetics decreased with the quality of energy flow from the trunk to the hand + racket segment. Injured players showed a lower quality of energy flow through the upper limb kinetic chain, a lower ball velocity, and higher rates of energy absorbed by the shoulder and elbow compared with noninjured players. The findings of this study imply that improper energy flow during the tennis serve can decrease ball velocity, increase upper limb joint kinetics, and thus increase overuse injuries of the upper limb joints. © 2014 The Author(s).

The Next Stop of One-Stop

ERIC Educational Resources Information Center

Bouman, Penny; Gomber, Gerri; Higgs, Ronnie; Westman, Craig

2006-01-01

This article focuses on the migration of the best practices of a one-stop setup to a communication center allowing for a one-stop shop experience via phone. Specifically, the article describes how enrollment managers at Ferris State University chose elements of their one-stop student service center to migrate into the Enrollment Services…

LIF measurements and chemical kinetic analysis of methylidyne formation in high-pressure counter-flow partially premixed and non-premixed flames

NASA Astrophysics Data System (ADS)

Naik, S. V.; Laurendeau, N. M.

2004-11-01

We report quantitative, spatially resolved, linear laser-induced fluorescence (LIF) measurements of methylidyne concentration ([CH]) in laminar, methane air, counter-flow partially premixed and non-premixed flames using excitation near 431.5 nm in the A X (0,0) band. For partially premixed flames, fuel-side equivalence ratios (ϕB) of 1.45, 1.6 and 2.0 are studied at pressures of 1, 3, 6, 9 and 12 atm. For non-premixed flames, the fuel-side mixture consists of 25% CH4 and 75% N2; measurements are obtained at pressures of 1, 2, 3, 4, 5, 6, 9 and 12 atm. The quantitative CH measurements are compared with predictions from an opposed-flow flame code utilizing two GRI chemical kinetic mechanisms (versions 2.11 and 3.0). LIF measurements of [CH] are corrected for variations in the quenching rate coefficient by using major species concentrations and temperatures generated by the code along with suitable quenching cross sections for CH available from the literature. A pathway analysis provides relative contributions from important elementary reactions to the total amount of CH produced at various pressures. Key reactions controlling peak CH concentrations are also identified by using a sensitivity analysis. For the partially premixed flames, measured CH profiles are reproduced reasonably well by GRI 3.0, although some quantitative disagreement exists at all pressures. Two CH radical peaks are observed for ϕB=1.45 and ϕB=1.6 at pressures above 3 atm. Peak CH concentrations for the non-premixed flames are significantly underpredicted by GRI 3.0. The latter agrees with previously reported NO concentrations, which are also underpredicted in these same high-pressure counter-flow diffusion flames.

STOP Analysis and Optimization of a Very-Low-Distortion Space Instrument: HST WFC3 Case Study

NASA Technical Reports Server (NTRS)

Kunt, Cengiz; Broduer, Steve (Technical Monitor)

2001-01-01

New generation optical instruments with very demanding stability requirements are being proposed and developed for space applications. STOP (Structural-Thermal-Optical Performance) analysis and optimization is crucial in meeting the very tight distortion budgets of these instruments. This presentation outlines STOP analysis and optimization approach in the context of WFC3 (Wide-Field Camera 3), which is a radial instrument designed to replace the Wide-Field Planetary Camera 2 (WFPC2) of the Hubble Space Telescope (HST). WFC3 houses two separate channels, UVIS and IR, and will have greater throughput and sensitivity than WFPC2. WFC3 line-of-sight alignment budget for the UVIS and IR channels are as small as 10 and 20 milli-arcsec, respectively. Its optical bench is the most critical subsystem effecting the optical stability of WFC3 hence our effort concentrates on the design and analysis of the bench and its interfaces. Structural analysis has accompanied the mechanical design of the bench since the initial concept study. A high fidelity structural Finite Element Model (FEM) of the bench has been developed and used for minimizing its thermally induced distortions as well as sizing it to meet the stiffness and strength requirements of a Shuttle launch. The bench is a composite honeycomb panel box structure with a very low planar Coefficient of Thermal Expansion (CTE) of approximately 0.1 ppm/C. Optic components are mounted to super-INVAR inserts bonded into the panels. The bench is kinematically supported on three HST latches via interface struts, which are tailored to exhibit negative CTE to cancel out the thermal motions of the latches. The interface struts also incorporate flexure elements to minimize the mechanical distortions coming into the bench from its enclosure. Bench FEM is coupled with the enclosure FEM to quantify these effects. Short term or on-orbit STOP analysis includes distortion due to the temperature variations of the bench, the struts, and the

Transient Kinetics Define a Complete Kinetic Model for Protein Arginine Methyltransferase 1*

PubMed Central

Hu, Hao; Luo, Cheng; Zheng, Y. George

2016-01-01

Protein arginine methyltransferases (PRMTs) are the enzymes responsible for posttranslational methylation of protein arginine residues in eukaryotic cells, particularly within the histone tails. A detailed mechanistic model of PRMT-catalyzed methylation is currently lacking, but it is essential for understanding the functions of PRMTs in various cellular pathways and for efficient design of PRMT inhibitors as potential treatments for a range of human diseases. In this work, we used stopped-flow fluorescence in combination with global kinetic simulation to dissect the transient kinetics of PRMT1, the predominant type I arginine methyltransferase. Several important mechanistic insights were revealed. The cofactor and the peptide substrate bound to PRMT1 in a random manner and then followed a kinetically preferred pathway to generate the catalytic enzyme-cofactor-substrate ternary complex. Product release proceeded in an ordered fashion, with peptide dissociation followed by release of the byproduct S-adenosylhomocysteine. Importantly, the dissociation rate of the monomethylated intermediate from the ternary complex was much faster than the methyl transfer. Such a result provided direct evidence for distributive arginine dimethylation, which means the monomethylated substrate has to be released to solution and rebind with PRMT1 before it undergoes further methylation. In addition, cofactor binding involved a conformational transition, likely an open-to-closed conversion of the active site pocket. Further, the histone H4 peptide bound to the two active sites of the PRMT1 homodimer with differential affinities, suggesting a negative cooperativity mechanism of substrate binding. These findings provide a new mechanistic understanding of how PRMTs interact with their substrates and transfer methyl groups. PMID:27834681

The effect of water temperature and flow on respiration in barnacles: patterns of mass transfer versus kinetic limitation.

PubMed

Nishizaki, Michael T; Carrington, Emily

2014-06-15

In aquatic systems, physiological processes such as respiration, photosynthesis and calcification are potentially limited by the exchange of dissolved materials between organisms and their environment. The nature and extent of physiological limitation is, therefore, likely to be dependent on environmental conditions. Here, we assessed the metabolic sensitivity of barnacles under a range of water temperatures and velocities, two factors that influence their distribution. Respiration rates increased in response to changes in temperature and flow, with an interaction where flow had less influence on respiration at low temperatures, and a much larger effect at high temperatures. Model analysis suggested that respiration is mass transfer limited under conditions of low velocity (<7.5 cm (-1)) and high temperature (20-25°C). In contrast, limitation by uptake reaction kinetics, when the biotic capacity of barnacles to absorb and process oxygen is slower than its physical delivery by mass transport, prevailed at high flows (40-150 cm s(-1)) and low temperatures (5-15°C). Moreover, there are intermediate flow-temperature conditions where both mass transfer and kinetic limitation are important. Behavioral monitoring revealed that barnacles fully extend their cirral appendages at low flows and display abbreviated 'testing' behaviors at high flows, suggesting some form of mechanical limitation. In low flow-high temperature treatments, however, barnacles displayed distinct 'pumping' behaviors that may serve to increase ventilation. Our results suggest that in slow-moving waters, respiration may become mass transfer limited as temperatures rise, whereas faster flows may serve to ameliorate the effects of elevated temperatures. Moreover, these results underscore the necessity for approaches that evaluate the combined effects of multiple environmental factors when examining physiological and behavioral performance. © 2014. Published by The Company of Biologists Ltd.

Model-based analysis of coupled equilibrium-kinetic processes: indirect kinetic studies of thermodynamic parameters using the dynamic data.

PubMed

Emami, Fereshteh; Maeder, Marcel; Abdollahi, Hamid

2015-05-07

Thermodynamic studies of equilibrium chemical reactions linked with kinetic procedures are mostly impossible by traditional approaches. In this work, the new concept of generalized kinetic study of thermodynamic parameters is introduced for dynamic data. The examples of equilibria intertwined with kinetic chemical mechanisms include molecular charge transfer complex formation reactions, pH-dependent degradation of chemical compounds and tautomerization kinetics in micellar solutions. Model-based global analysis with the possibility of calculating and embedding the equilibrium and kinetic parameters into the fitting algorithm has allowed the complete analysis of the complex reaction mechanisms. After the fitting process, the optimal equilibrium and kinetic parameters together with an estimate of their standard deviations have been obtained. This work opens up a promising new avenue for obtaining equilibrium constants through the kinetic data analysis for the kinetic reactions that involve equilibrium processes.

Hybrid Parallelization of Adaptive MHD-Kinetic Module in Multi-Scale Fluid-Kinetic Simulation Suite

DOE PAGES

Borovikov, Sergey; Heerikhuisen, Jacob; Pogorelov, Nikolai

2013-04-01

The Multi-Scale Fluid-Kinetic Simulation Suite has a computational tool set for solving partially ionized flows. In this paper we focus on recent developments of the kinetic module which solves the Boltzmann equation using the Monte-Carlo method. The module has been recently redesigned to utilize intra-node hybrid parallelization. We describe in detail the redesign process, implementation issues, and modifications made to the code. Finally, we conduct a performance analysis.

A century of enzyme kinetic analysis, 1913 to 2013.

PubMed

Johnson, Kenneth A

2013-09-02

This review traces the history and logical progression of methods for quantitative analysis of enzyme kinetics from the 1913 Michaelis and Menten paper to the application of modern computational methods today. Following a brief review of methods for fitting steady state kinetic data, modern methods are highlighted for fitting full progress curve kinetics based upon numerical integration of rate equations, including a re-analysis of the original Michaelis-Menten full time course kinetic data. Finally, several illustrations of modern transient state kinetic methods of analysis are shown which enable the elucidation of reactions occurring at the active sites of enzymes in order to relate structure and function. Copyright © 2013 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

Scattering and stopping of hadrons in nuclear matter

NASA Technical Reports Server (NTRS)

Strugalski, Z.

1985-01-01

It was observed, in the 180 litre xenon bubble chamber, that when hadrons with kinetic energy higher than the pion production threshold fall on a layer of nuclear matter - on an atomic nucleus in other words - in many cases they can pass through it without causing particles production but they are deflected through some deflection angles; if the energy is lower than a few GeV and the nuclear matter layer is thick enough, the hadrons can be stopped in it. The amount of the deflection at a given incident hadron energy varies with the way the hadron strikes the atomic nucleus; the probability of the occurrence of stopping depends on the incident hadron identity and energy, and on the way the hadron passed through the nucleus, as well.

Kinetically reduced local Navier-Stokes equations for simulation of incompressible viscous flows.

PubMed

Borok, S; Ansumali, S; Karlin, I V

2007-12-01

Recently, another approach to study incompressible fluid flow was suggested [S. Ansumali, I. Karlin, and H. Ottinger, Phys. Rev. Lett. 94, 080602 (2005)]-the kinetically reduced local Navier-Stokes (KRLNS) equations. We consider a simplified two-dimensional KRLNS system and compare it with Chorin's artificial compressibility method. A comparison of the two methods for steady state computation of the flow in a lid-driven cavity at various Reynolds numbers shows that the results from both methods are in good agreement with each other. However, in the transient flow, it is demonstrated that the KRLNS equations correctly describe the time evolution of the velocity and of the pressure, unlike the artificial compressibility method.

On the collaborative design and simulation of space camera: stop structural/thermal/optical) analysis

NASA Astrophysics Data System (ADS)

Duan, Pengfei; Lei, Wenping

2017-11-01

A number of disciplines (mechanics, structures, thermal, and optics) are needed to design and build Space Camera. Separate design models are normally constructed by each discipline CAD/CAE tools. Design and analysis is conducted largely in parallel subject to requirements that have been levied on each discipline, and technical interaction between the different disciplines is limited and infrequent. As a result a unified view of the Space Camera design across discipline boundaries is not directly possible in the approach above, and generating one would require a large manual, and error-prone process. A collaborative environment that is built on abstract model and performance template allows engineering data and CAD/CAE results to be shared across above discipline boundaries within a common interface, so that it can help to attain speedy multivariate design and directly evaluate optical performance under environment loadings. A small interdisciplinary engineering team from Beijing Institute of Space Mechanics and Electricity has recently conducted a Structural/Thermal/Optical (STOP) analysis of a space camera with this collaborative environment. STOP analysis evaluates the changes in image quality that arise from the structural deformations when the thermal environment of the camera changes throughout its orbit. STOP analyses were conducted for four different test conditions applied during final thermal vacuum (TVAC) testing of the payload on the ground. The STOP Simulation Process begins with importing an integrated CAD model of the camera geometry into the collaborative environment, within which 1. Independent thermal and structural meshes are generated. 2. The thermal mesh and relevant engineering data for material properties and thermal boundary conditions are then used to compute temperature distributions at nodal points in both the thermal and structures mesh through Thermal Desktop, a COTS thermal design and analysis code. 3. Thermally induced structural

An immersed boundary-simplified sphere function-based gas kinetic scheme for simulation of 3D incompressible flows

NASA Astrophysics Data System (ADS)

Yang, L. M.; Shu, C.; Yang, W. M.; Wang, Y.; Wu, J.

2017-08-01

In this work, an immersed boundary-simplified sphere function-based gas kinetic scheme (SGKS) is presented for the simulation of 3D incompressible flows with curved and moving boundaries. At first, the SGKS [Yang et al., "A three-dimensional explicit sphere function-based gas-kinetic flux solver for simulation of inviscid compressible flows," J. Comput. Phys. 295, 322 (2015) and Yang et al., "Development of discrete gas kinetic scheme for simulation of 3D viscous incompressible and compressible flows," J. Comput. Phys. 319, 129 (2016)], which is often applied for the simulation of compressible flows, is simplified to improve the computational efficiency for the simulation of incompressible flows. In the original SGKS, the integral domain along the spherical surface for computing conservative variables and numerical fluxes is usually not symmetric at the cell interface. This leads the expression of numerical fluxes at the cell interface to be relatively complicated. For incompressible flows, the sphere at the cell interface can be approximately considered to be symmetric as shown in this work. Besides that, the energy equation is usually not needed for the simulation of incompressible isothermal flows. With all these simplifications, the simple and explicit formulations for the conservative variables and numerical fluxes at the cell interface can be obtained. Second, to effectively implement the no-slip boundary condition for fluid flow problems with complex geometry as well as moving boundary, the implicit boundary condition-enforced immersed boundary method [Wu and Shu, "Implicit velocity correction-based immersed boundary-lattice Boltzmann method and its applications," J. Comput. Phys. 228, 1963 (2009)] is introduced into the simplified SGKS. That is, the flow field is solved by the simplified SGKS without considering the presence of an immersed body and the no-slip boundary condition is implemented by the immersed boundary method. The accuracy and efficiency of

Kinetic and structural studies, origins of selectivity, and interfacial charge transfer in the artificial photosynthesis of CO

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

Smieja, Jonathan M.; Benson, Eric E.; Kumar, Bhupendra

The effective design of an artificial photosynthetic system entails the optimization of several important interactions. Herein we report stopped-flow UV-Vis spectroscopy, X-ray crystallography, DFT, and electrochemical kinetic studies of the Re(bipy-tBu)(CO)3(L) catalyst system. A remarkable selectivity for CO2 over H+ was observed by stopped-flow UV-Vis spectroscopy of [Re(bipy-tBu)(CO)3]-. The pseudo-first order rate constant for the reaction with 10 mM CO2 in THF is 35 s-1. This is ca. 15-20 times faster than the reactions with water or methanol at the same concentration in THF. X-ray crystallography and DFT studies of the doubly-reduced anionic species suggest that the HOMO has mixedmore » metal-ligand character rather than being purely dz 2, which is thought to aid catalytic selectivity by favoring binding of CO2 over H+. Electrocatalytic studies performed with the addition of Brönsted acids reveal a primary H/D kinetic isotope effect, indicating that transfer of protons to Re-CO2 is involved in the rate limiting step. Lastly, the effects of electrode surface modification on interfacial electron transfer between a semiconductor and catalyst were investigated and found to affect the observed catalytic rates up to seven-fold, indicating that the properties of the electrode surface should not be overlooked when developing a homogeneous artificial photosynthetic system. This research was supported at the University of Washington, Seattle by the Camille and Henry Dreyfus Postdoctoral Program in Environmental Chemistry (for a fellowship to A. J. M. M.), and, for funds to purchase the stopped-flow instrument, the U.S. National Institutes of Health 13 (Grant GM-50422 to JMM), and the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences.« less

Kinetic studies of amino acid-based surfactant binding to DNA.

PubMed

Santhiya, Deenan; Dias, Rita S; Dutta, Sounak; Das, Prasanta Kumar; Miguel, Maria G; Lindman, Björn; Maiti, Souvik

2012-05-24

In this work, the binding kinetics of amino acid-based surfactants, presenting different linkers and head groups, with calf thymus (CT)-DNA was studied using stopped-flow fluorescence spectroscopy. The kinetic studies were carried out as a function of Na(+) concentration and surfactant-to-DNA charge ratio. The surfactant binding on DNA took place in two consecutive steps, for which the corresponding first and second relative rate constants (k(1) and k(2)) were determined. The fast step was attributed to the surfactant binding to DNA and micelle formation in its vicinity, the slower step to DNA condensation and possible rearrangement of the surfactant aggregates. In general, both relative rate constants increase with surfactant concentration and decrease with the ionic strength of the medium. The architecture of the surfactant was found to have a significant impact on the kinetics of the DNA-surfactant complexation. Surfactants with amide linkers showed larger relative rate constants than those with ester linkers. The variation of the relative rate constants with the head groups of the surfactants, alanine and proline, was found to be less obvious, being partially dependent on the surfactant concentration.

A continuous-flow capillary mixing method to monitor reactions on the microsecond time scale.

PubMed Central

Shastry, M C; Luck, S D; Roder, H

1998-01-01

A continuous-flow capillary mixing apparatus, based on the original design of Regenfuss et al. (Regenfuss, P., R. M. Clegg, M. J. Fulwyler, F. J. Barrantes, and T. M. Jovin. 1985. Rev. Sci. Instrum. 56:283-290), has been developed with significant advances in mixer design, detection method and data analysis. To overcome the problems associated with the free-flowing jet used for observation in the original design (instability, optical artifacts due to scattering, poor definition of the geometry), the solution emerging from the capillary is injected directly into a flow-cell joined to the tip of the outer capillary via a ground-glass joint. The reaction kinetics are followed by measuring fluorescence versus distance downstream from the mixer, using an Hg(Xe) arc lamp for excitation and a digital camera with a UV-sensitized CCD detector for detection. Test reactions involving fluorescent dyes indicate that mixing is completed within 15 micros of its initiation and that the dead time of the measurement is 45 +/- 5 micros, which represents a >30-fold improvement in time resolution over conventional stopped-flow instruments. The high sensitivity and linearity of the CCD camera have been instrumental in obtaining artifact-free kinetic data over the time window from approximately 45 micros to a few milliseconds with signal-to-noise levels comparable to those of conventional methods. The scope of the method is discussed and illustrated with an example of a protein folding reaction. PMID:9591695

Multi-GPU unsteady 2D flow simulation coupled with a state-to-state chemical kinetics

NASA Astrophysics Data System (ADS)

Tuttafesta, Michele; Pascazio, Giuseppe; Colonna, Gianpiero

2016-10-01

In this work we are presenting a GPU version of a CFD code for high enthalpy reacting flow, using the state-to-state approach. In supersonic and hypersonic flows, thermal and chemical non-equilibrium is one of the fundamental aspects that must be taken into account for the accurate characterization of the plasma and state-to-state kinetics is the most accurate approach used for this kind of problems. This model consists in writing a continuity equation for the population of each vibrational level of the molecules in the mixture, determining at the same time the species densities and the distribution of the population in internal levels. An explicit scheme is employed here to integrate the governing equations, so as to exploit the GPU structure and obtain an efficient algorithm. The best performances are obtained for reacting flows in state-to-state approach, reaching speedups of the order of 100, thanks to the use of an operator splitting scheme for the kinetics equations.

Differential Responses of Post-Exercise Recovery of Leg Blood Flow and Oxygen Uptake Kinetics in HFpEF versus HFrEF.

PubMed

Thompson, Richard B; Pagano, Joseph J; Mathewson, Kory W; Paterson, Ian; Dyck, Jason R; Kitzman, Dalane W; Haykowsky, Mark J

2016-01-01

The goals of the current study were to compare leg blood flow, oxygen extraction and oxygen uptake (VO2) after constant load sub-maximal unilateral knee extension (ULKE) exercise in patients with heart failure with reduced ejection fraction (HFrEF) compared to those with preserved ejection fraction (HFpEF). Previously, it has been shown that prolonged whole body VO2 recovery kinetics are directly related to disease severity and all-cause mortality in HFrEF patients. To date, no study has simultaneously measured muscle-specific blood flow and oxygen extraction post exercise recovery kinetics in HFrEF or HFpEF patients; therefore it is unknown if muscle VO2 recovery kinetics, and more specifically, the recovery kinetics of blood flow and oxygen extraction at the level of the muscle, differ between HF phenotypes. Ten older (68±10yrs) HFrEF (n = 5) and HFpEF (n = 5) patients performed sub-maximal (85% of maximal weight lifted during an incremental test) ULKE exercise for 4 minutes. Femoral venous blood flow and venous O2 saturation were measured continuously from the onset of end-exercise, using a novel MRI method, to determine off-kinetics (mean response times, MRT) for leg VO2 and its determinants. HFpEF and HFrEF patients had similar end-exercise leg blood flow (1.1±0.6 vs. 1.2±0.6 L/min, p>0.05), venous saturation (42±12 vs. 41±11%, p>0.05) and VO2 (0.13±0.08 vs. 0.11±0.05 L/min, p>0.05); however HFrEF had significantly delayed recovery MRT for flow (292±135sec. vs 105±63sec., p = 0.004) and VO2 (95±37sec. vs. 47±15sec., p = 0.005) compared to HFpEF. Impaired muscle VO2 recovery kinetics following ULKE exercise differentiated HFrEF from HFpEF patients and suggests distinct underlying pathology and potential therapeutic approaches in these populations.

Massively Parallel Real-Time TDDFT Simulations of Electronic Stopping Processes

NASA Astrophysics Data System (ADS)

Yost, Dillon; Lee, Cheng-Wei; Draeger, Erik; Correa, Alfredo; Schleife, Andre; Kanai, Yosuke

Electronic stopping describes transfer of kinetic energy from fast-moving charged particles to electrons, producing massive electronic excitations in condensed matter. Understanding this phenomenon for ion irradiation has implications in modern technologies, ranging from nuclear reactors, to semiconductor devices for aerospace missions, to proton-based cancer therapy. Recent advances in high-performance computing allow us to achieve an accurate parameter-free description of these phenomena through numerical simulations. Here we discuss results from our recently-developed large-scale real-time TDDFT implementation for electronic stopping processes in important example materials such as metals, semiconductors, liquid water, and DNA. We will illustrate important insight into the physics underlying electronic stopping and we discuss current limitations of our approach both regarding physical and numerical approximations. This work is supported by the DOE through the INCITE awards and by the NSF. Part of this work was performed under the auspices of U.S. DOE by LLNL under Contract DE-AC52-07NA27344.

Flow chemistry and polymer-supported pseudoenantiomeric acylating agents enable parallel kinetic resolution of chiral saturated N-heterocycles

NASA Astrophysics Data System (ADS)

Kreituss, Imants; Bode, Jeffrey W.

2017-05-01

Kinetic resolution is a common method to obtain enantioenriched material from a racemic mixture. This process will deliver enantiopure unreacted material when the selectivity factor of the process, s, is greater than 1; however, the scalemic reaction product is often discarded. Parallel kinetic resolution, on the other hand, provides access to two enantioenriched products from a single racemic starting material, but suffers from a variety of practical challenges regarding experimental design that limit its applications. Here, we describe the development of a flow-based system that enables practical parallel kinetic resolution of saturated N-heterocycles. This process provides access to both enantiomers of the starting material in good yield and high enantiopurity; similar results with classical kinetic resolution would require selectivity factors in the range of s = 100. To achieve this, two immobilized quasienantiomeric acylating agents were designed for the asymmetric acylation of racemic saturated N-heterocycles. Using the flow-based system we could efficiently separate, recover and reuse the polymer-supported reagents. The amide products could be readily separated and hydrolysed to the corresponding amines without detectable epimerization.

Continuing or Temporarily Stopping Prestroke Antihypertensive Medication in Acute Stroke: An Individual Patient Data Meta-Analysis.

PubMed

Woodhouse, Lisa J; Manning, Lisa; Potter, John F; Berge, Eivind; Sprigg, Nikola; Wardlaw, Joanna; Lees, Kennedy R; Bath, Philip M; Robinson, Thompson G

2017-05-01

Over 50% of patients are already taking blood pressure-lowering therapy on hospital admission for acute stroke. An individual patient data meta-analysis from randomized controlled trials was undertaken to determine the effect of continuation versus temporarily stopping preexisting antihypertensive medication in acute stroke. Key databases were searched for trials against the following inclusion criteria: randomized design; stroke onset ≤48 hours; investigating the effect of continuation versus stopping prestroke antihypertensive medication; and follow-up of ≥2 weeks. Two randomized controlled trials were identified and included in this meta-analysis of individual patient data from 2860 patients with ≤48 hours of acute stroke. Risk of bias in each study was low. In adjusted logistic regression and multiple regression analyses (using random effects), we found no significant association between continuation of prestroke antihypertensive therapy (versus stopping) and risk of death or dependency at final follow-up: odds ratio 0.96 (95% confidence interval, 0.80-1.14). No significant associations were found between continuation (versus stopping) of therapy and secondary outcomes at final follow-up. Analyses for death and dependency in prespecified subgroups revealed no significant associations with continuation versus temporarily stopping therapy, with the exception of patients randomized ≤12 hours, in whom a difference favoring stopping treatment met statistical significance. We found no significant benefit with continuation of antihypertensive treatment in the acute stroke period. Therefore, there is no urgency to administer preexisting antihypertensive therapy in the first few hours or days after stroke, unless indicated for other comorbid conditions. © 2017 American Heart Association, Inc.

Who stops selling? A systematic analysis of ex-tobacco retailers.

PubMed

Feletto, Eleonora; Burton, Suzan; Williams, Kelly; Fry, Rae; Sutton, Clare; Bagus, Lachlan; Egger, Sam

2016-03-09

There is evidence that wide distribution of cigarettes contributes to smoking, and multiple commentators have called for a review of tobacco retailing. This study analyses retailers who stop selling cigarettes, why they do so, and discusses the implications for tobacco control. An audit of tobacco retailers in the Australian state of NSW was used to identify retailers who had stopped selling tobacco, and they were then compared with current retailers to determine how many, and what types of outlets stop selling tobacco. Attempts were made to contact and interview all former tobacco retailers identified in three audited regions. In-depth interviews were conducted with 13 ex-tobacco retailers, or 31% of the subset of ex-tobacco retailers. Low-volume outlet types were over-represented as a proportion of retailers exiting the market, and some had resumed selling within 18 months of the audit. Low profits were often cited as a contributor to stopping; however, in all but one case, the decision to stop selling was also influenced by a significant change in business circumstances-either legislative or other business changes. Few retailers stop selling tobacco while continuing in the same business, and those who stop disproportionately represent retailer types with low sales volume. The results suggest that legislative changes provide a window where retailers could be prompted to exit the market. 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/

Yield of reversible colloidal gels during flow start-up: release from kinetic arrest.

PubMed

Johnson, Lilian C; Landrum, Benjamin J; Zia, Roseanna N

2018-06-05

Yield of colloidal gels during start-up of shear flow is characterized by an overshoot in shear stress that accompanies changes in network structure. Prior studies of yield of reversible colloidal gels undergoing strong flow model the overshoot as the point at which network rupture permits fluidization. However, yield under weak flow, which is of interest in many biological and industrial fluids shows no such disintegration. The mechanics of reversible gels are influenced by bond strength and durability, where ongoing rupture and re-formation impart aging that deepens kinetic arrest [Zia et al., J. Rheol., 2014, 58, 1121], suggesting that yield be viewed as release from kinetic arrest. To explore this idea, we study reversible colloidal gels during start-up of shear flow via dynamic simulation, connecting rheological yield to detailed measurements of structure, bond dynamics, and potential energy. We find that pre-yield stress grows temporally with the changing roles of microscopic transport processes: early time behavior is set by Brownian diffusion; later, advective displacements permit relative particle motion that stretches bonds and stores energy. Stress accumulates in stretched, oriented bonds until yield, which is a tipping point to energy release, and is passed with a fully intact network, where the loss of very few bonds enables relaxation of many, easing glassy arrest. This is immediately followed by a reversal to growth in potential energy during bulk plastic deformation and condensation into larger particle domains, supporting the view that yield is an activated release from kinetic arrest. The continued condensation of dense domains and shrinkage of network surfaces, along with a decrease in the potential energy, permit the gel to evolve toward more complete phase separation, supporting our view that yield of weakly sheared gels is a 'non-equilibrium phase transition'. Our findings may be particularly useful for industrial or other coatings, where weak

On Riemann solvers and kinetic relations for isothermal two-phase flows with surface tension

NASA Astrophysics Data System (ADS)

Rohde, Christian; Zeiler, Christoph

2018-06-01

We consider a sharp interface approach for the inviscid isothermal dynamics of compressible two-phase flow that accounts for phase transition and surface tension effects. Kinetic relations are frequently used to fix the mass exchange and entropy dissipation rate across the interface. The complete unidirectional dynamics can then be understood by solving generalized two-phase Riemann problems. We present new well-posedness theorems for the Riemann problem and corresponding computable Riemann solvers that cover quite general equations of state, metastable input data and curvature effects. The new Riemann solver is used to validate different kinetic relations on physically relevant problems including a comparison with experimental data. Riemann solvers are building blocks for many numerical schemes that are used to track interfaces in two-phase flow. It is shown that the new Riemann solver enables reliable and efficient computations for physical situations that could not be treated before.

Gyrokinetic and kinetic particle-in-cell simulations of guide-field reconnection. I. Macroscopic effects of the electron flows

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

Muñoz, P. A., E-mail: munozp@mps.mpg.de; Kilian, P.; Büchner, J.

In this work, we compare gyrokinetic (GK) with fully kinetic Particle-in-Cell (PIC) simulations of magnetic reconnection in the limit of strong guide field. In particular, we analyze the limits of applicability of the GK plasma model compared to a fully kinetic description of force free current sheets for finite guide fields (b{sub g}). Here, we report the first part of an extended comparison, focusing on the macroscopic effects of the electron flows. For a low beta plasma (β{sub i} = 0.01), it is shown that both plasma models develop magnetic reconnection with similar features in the secondary magnetic islands if a sufficientlymore » high guide field (b{sub g} ≳ 30) is imposed in the kinetic PIC simulations. Outside of these regions, in the separatrices close to the X points, the convergence between both plasma descriptions is less restrictive (b{sub g} ≳ 5). Kinetic PIC simulations using guide fields b{sub g} ≲ 30 reveal secondary magnetic islands with a core magnetic field and less energetic flows inside of them in comparison to the GK or kinetic PIC runs with stronger guide fields. We find that these processes are mostly due to an initial shear flow absent in the GK initialization and negligible in the kinetic PIC high guide field regime, in addition to fast outflows on the order of the ion thermal speed that violate the GK ordering. Since secondary magnetic islands appear after the reconnection peak time, a kinetic PIC/GK comparison is more accurate in the linear phase of magnetic reconnection. For a high beta plasma (β{sub i} = 1.0) where reconnection rates and fluctuations levels are reduced, similar processes happen in the secondary magnetic islands in the fully kinetic description, but requiring much lower guide fields (b{sub g} ≲ 3)« less

Vertical flow constructed wetlands: kinetics of nutrient and organic matter removal.

PubMed

Pérez, M M; Hernández, J M; Bossens, J; Jiménez, T; Rosa, E; Tack, F

2014-01-01

The kinetics of organic matter and nutrient removal in a pilot vertical subsurface wetland with red ferralitic soil as substrate were evaluated. The wetland (20 m(2)) was planted with Cyperus alternifolius. The domestic wastewater that was treated in the wetland had undergone a primary treatment consisting of a septic moat and a buffer tank. From the sixth week of operation, the performance of the wetland stabilized, and a significant reduction in pollutant concentration of the effluent wastewater was obtained. Also a significant increase of dissolved oxygen (5 mg/l) was obtained. The organic matter removal efficiency was greater than 85% and the nutrient removal efficiency was greater than 75% in the vertical subsurface wetland. Nitrogen and biochemical oxygen demand (BOD) removal could be described by a first-order model. The kinetic constants were 3.64 and 3.27 d(-1) for BOD and for total nitrogen, respectively. Data on the removal of phosphorus were adapted to a second-order model. The kinetic constant was 0.96 (mg/l)(-1) d(-1). The results demonstrated the potential of vertical flow constructed wetlands to clean treated domestic wastewater before discharge into the environment.

Stopping dynamics of ions passing through correlated honeycomb clusters

NASA Astrophysics Data System (ADS)

Balzer, Karsten; Schlünzen, Niclas; Bonitz, Michael

2016-12-01

A combined nonequilibrium Green functions-Ehrenfest dynamics approach is developed that allows for a time-dependent study of the energy loss of a charged particle penetrating a strongly correlated system at zero and finite temperatures. Numerical results are presented for finite inhomogeneous two-dimensional Fermi-Hubbard models, where the many-electron dynamics in the target are treated fully quantum mechanically and the motion of the projectile is treated classically. The simulations are based on the solution of the two-time Dyson (Keldysh-Kadanoff-Baym) equations using the second-order Born, third-order, and T -matrix approximations of the self-energy. As application, we consider protons and helium nuclei with a kinetic energy between 1 and 500 keV/u passing through planar fragments of the two-dimensional honeycomb lattice and, in particular, examine the influence of electron-electron correlations on the energy exchange between projectile and electron system. We investigate the time dependence of the projectile's kinetic energy (stopping power), the electron density, the double occupancy, and the photoemission spectrum. Finally, we show that, for a suitable choice of the Hubbard model parameters, the results for the stopping power are in fair agreement with ab initio simulations for particle irradiation of single-layer graphene.

A cellular automata model for traffic flow based on kinetics theory, vehicles capabilities and driver reactions

NASA Astrophysics Data System (ADS)

Guzmán, H. A.; Lárraga, M. E.; Alvarez-Icaza, L.; Carvajal, J.

2018-02-01

In this paper, a reliable cellular automata model oriented to faithfully reproduce deceleration and acceleration according to realistic reactions of drivers, when vehicles with different deceleration capabilities are considered is presented. The model focuses on describing complex traffic phenomena by coding in its rules the basic mechanisms of drivers behavior, vehicles capabilities and kinetics, while preserving simplicity. In particular, vehiclés kinetics is based on uniform accelerated motion, rather than in impulsive accelerated motion as in most existing CA models. Thus, the proposed model calculates in an analytic way three safe preserving distances to determine the best action a follower vehicle can take under a worst case scenario. Besides, the prediction analysis guarantees that under the proper assumptions, collision between vehicles may not happen at any future time. Simulations results indicate that all interactions of heterogeneous vehicles (i.e., car-truck, truck-car, car-car and truck-truck) are properly reproduced by the model. In addition, the model overcomes one of the major limitations of CA models for traffic modeling: the inability to perform smooth approach to slower or stopped vehicles. Moreover, the model is also capable of reproducing most empirical findings including the backward speed of the downstream front of the traffic jam, and different congested traffic patterns induced by a system with open boundary conditions with an on-ramp. Like most CA models, integer values are used to make the model run faster, which makes the proposed model suitable for real time traffic simulation of large networks.

Stop-catalyzed baryogenesis beyond the MSSM

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

Katz, Andrey; Perelstein, Maxim; Ramsey-Musolf, Michael J.

2015-11-19

Nonminimal supersymmetric models that predict a tree-level Higgs mass above the minimal supersymmetric standard model (MSSM) bound are well motivated by naturalness considerations. Indirect constraints on the stop sector parameters of such models are significantly relaxed compared to the MSSM; in particular, both stops can have weak-scale masses. We revisit the stop-catalyzed electroweak baryogenesis (EWB) scenario in this context. We find that the LHC measurements of the Higgs boson production and decay rates already rule out the possibility of stop-catalyzed EWB. Here, we also introduce a gauge-invariant analysis framework that may generalize to other scenarios in which interactions outside themore » gauge sector drive the electroweak phase transition.« less

Acquisition of initial /s/-stop and stop-/s/sequences in Greek.

PubMed

Syrika, Asimina; Nicolaidis, Katerina; Edwards, Jan; Beckman, Mary E

2011-09-01

Previous work on children's acquisition of complex sequences points to a tendency for affricates to be acquired before clusters, but there is no clear evidence of a difference in order of acquisition between clusters with /s/ that violate the Sonority Sequencing Principle (SSP), such as /s/ followed by stop in onset position, and other clusters that obey the SSP. One problem with studies that have compared the acquisition of SSP-obeying and SSP-violating clusters is that the component sounds in the two types of sequences were different.This paper examines the acquisition of initial /s/-stop and stop-/s/ sequences by sixty Greek children aged 2 through 5 years. Results showed greater accuracy for the /s/-stop relative to the stop-/s/ sequences, but no difference in accuracy between /ts/, which is usually analyzed as an affricate in Greek, and the other stop-/s/ sequences. Moreover, errors for the /s/-stop sequences and /ts/ primarily involved stop substitutions, whereas errors for /ps/ and /ks/ were more variable and often involved fricative substitutions, a pattern which may have a perceptual explanation. Finally, /ts/ showed a distinct temporal pattern relative to the stop-/s/ clusters /ps/ and /ks/, similar to what has been reported for productions of Greek adults.

Flow-Induced New Channels of Energy Exchange in Multi-Scale Plasma Dynamics - Revisiting Perturbative Hybrid Kinetic-MHD Theory.

PubMed

Shiraishi, Junya; Miyato, Naoaki; Matsunaga, Go

2016-05-10

It is found that new channels of energy exchange between macro- and microscopic dynamics exist in plasmas. They are induced by macroscopic plasma flow. This finding is based on the kinetic-magnetohydrodynamic (MHD) theory, which analyses interaction between macroscopic (MHD-scale) motion and microscopic (particle-scale) dynamics. The kinetic-MHD theory is extended to include effects of macroscopic plasma flow self-consistently. The extension is realised by generalising an energy exchange term due to wave-particle resonance, denoted by δ WK. The first extension is generalisation of the particle's Lagrangian, and the second one stems from modification to the particle distribution function due to flow. These extensions lead to a generalised expression of δ WK, which affects the MHD stability of plasmas.

LSENS - GENERAL CHEMICAL KINETICS AND SENSITIVITY ANALYSIS CODE

NASA Technical Reports Server (NTRS)

Bittker, D. A.

1994-01-01

which provides the relationships between the predictions of a kinetics model and the input parameters of the problem. LSENS provides for efficient and accurate chemical kinetics computations and includes sensitivity analysis for a variety of problems, including nonisothermal conditions. LSENS replaces the previous NASA general chemical kinetics codes GCKP and GCKP84. LSENS is designed for flexibility, convenience and computational efficiency. A variety of chemical reaction models can be considered. The models include static system, steady one-dimensional inviscid flow, reaction behind an incident shock wave including boundary layer correction, and the perfectly stirred (highly backmixed) reactor. In addition, computations of equilibrium properties can be performed for the following assigned states, enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. For static problems LSENS computes sensitivity coefficients with respect to the initial values of the dependent variables and/or the three rates coefficient parameters of each chemical reaction. To integrate the ODEs describing chemical kinetics problems, LSENS uses the packaged code LSODE, the Livermore Solver for Ordinary Differential Equations, because it has been shown to be the most efficient and accurate code for solving such problems. The sensitivity analysis computations use the decoupled direct method, as implemented by Dunker and modified by Radhakrishnan. This method has shown greater efficiency and stability with equal or better accuracy than other methods of sensitivity analysis. LSENS is written in FORTRAN 77 with the exception of the NAMELIST extensions used for input. While this makes the code fairly machine independent, execution times on IBM PC compatibles would be unacceptable to most users. LSENS has been successfully implemented on a Sun4 running SunOS and a DEC VAX running VMS. With minor modifications, it should also be easily implemented on other

The transport kinetics and selectivity of HpUreI, the urea channel from Helicobacter pylori†

PubMed Central

Gray, Lawrence R; Gu, Sean X; Quick, Matthias; Khademi, Shahram

2017-01-01

Helicobacter pylori’s unique ability to colonize and survive in the acidic environment of the stomach is critically dependent on uptake of urea through the urea channel, HpUreI. Hence, HpUreI may represent a promising target for the development of specific drugs against this human pathogen. To obtain insight into the structure/function relationship of this channel, we have developed conditions for the high-yield expression and purification of stable recombinant HpUreI that allowed its detailed kinetic characterization in solubilized form and reconstituted into liposomes. Detergent-solubilized HpUreI forms homo-trimer, as determined by chemical cross-linking. Urea dissociation kinetics of purified HpUreI were determined by means of the scintillation proximity assay (SPA), whereas urea efflux was measured in HpUreI-containing proteoliposomes using stopped-flow spectrometry to determine the kinetics and selectivity of the urea channel. The kinetic analyses revealed that urea conduction in HpUreI is pH sensitive and saturable with a half-saturation concentration (or K0.5) of ~163 mM. Binding of urea by HpUreI was increased at lower pH; however, the apparent affinity of urea binding (~150 mM) was not significantly pH dependent. The solute selectivity analysis indicated that HpUreI is highly selective for urea and hydroxyurea. Removing either amino group of urea molecules diminishes their permeability through HpUreI. Similar to urea conduction, water diffusion through HpUreI is pH-dependent with low water permeability at neutral pH. PMID:21877689

Is the kinetic equation for turbulent gas-particle flows ill posed?

PubMed

Reeks, M; Swailes, D C; Bragg, A D

2018-02-01

This paper is about the kinetic equation for gas-particle flows, in particular its well-posedness and realizability and its relationship to the generalized Langevin model (GLM) probability density function (PDF) equation. Previous analyses, e.g. [J.-P. Minier and C. Profeta, Phys. Rev. E 92, 053020 (2015)PLEEE81539-375510.1103/PhysRevE.92.053020], have concluded that this kinetic equation is ill posed, that in particular it has the properties of a backward heat equation, and as a consequence, its solution will in the course of time exhibit finite-time singularities. We show that this conclusion is fundamentally flawed because it ignores the coupling between the phase space variables in the kinetic equation and the time and particle inertia dependence of the phase space diffusion tensor. This contributes an extra positive diffusion that always outweighs the negative diffusion associated with the dispersion along one of the principal axes of the phase space diffusion tensor. This is confirmed by a numerical evaluation of analytic solutions of these positive and negative contributions to the particle diffusion coefficient along this principal axis. We also examine other erroneous claims and assumptions made in previous studies that demonstrate the apparent superiority of the GLM PDF approach over the kinetic approach. In so doing, we have drawn attention to the limitations of the GLM approach, which these studies have ignored or not properly considered, to give a more balanced appraisal of the benefits of both PDF approaches.

The Effects of Prompting and Feedback on Drivers' Stopping at Stop Signs

PubMed Central

Austin, John; Hackett, Stacey; Gravina, Nicole; Lebbon, Angela

2006-01-01

Complete stops at a high-traffic intersection on the campus of a public university were increased with a prompting and consequence intervention. Data were collected at two opposing stop signs (Stop A and Stop B); however, the intervention was implemented only at Stop A. During the intervention, a volunteer stood next to Stop A holding a poster that read, “Please Stop—I Care,” with “Thank You For Stopping” on the reverse side. The poster was held by the volunteer so that drivers approaching Stop A could read the sign. Drivers approaching Stop B could see the volunteer but could not read the sign. When vehicles approaching Stop A made a complete stop, the volunteer flashed the “thank you” side of the poster to the driver. The strategy was evaluated using a multielement design. The intervention increased stops completed at Stop A from a baseline average of 13% to an intervention average of 52%. Stop B also showed improved stopping, from a baseline average of 6% to an intervention average of 28%. Data showed no relation between complete stops made and the drivers' use of turn signals and safety belts. PMID:16602391

Simultaneous Evaluation of Different Types of Kinetic Traces of a Complex System: Kinetics and Mechanism of the Tetrathionate-Bromine Reaction

NASA Astrophysics Data System (ADS)

Varga, Dénes; Horváth, Attila K.

2009-08-01

The bromine-tetrathionate reaction has been studied in the presence of phosphoric acid/dihydrogen phosphate buffer at T = 25 ± 0.1 °C and at I = 0.5 M ionic strength with both stopped-flow technique and a conventional diode array spectrophotometer. The stoichiometry of the reaction was found to be S4O62- + 7Br2 + 10H2O → 4SO42- + 14Br- + 20H+ in bromine excess, but no unambiguous stoichiometry can be established in tetrathionate excess because elementary sulfur as well as hydrogen sulfide are also present in appreciable amounts besides the major product sulfate. It has also been shown that the reaction has two well-separable kinetic phases in an excess of tetrathionate. Rapid disappearance of bromine was observed in the early stage of the reaction followed by a much slower spectral change in the UV region that can be attributed to the disappearance of an absorbing species having much stronger light absorption than that of tetrathionate in the given wavelength range. Two different types of kinetic curves measured by two different instruments have been evaluated simultaneously that led us to suggest and discuss a 10-step model.

Kinetics and mechanism of oxidation of super-reduced cobalamin and cobinamide species by thiosulfate, sulfite and dithionite.

PubMed

Dereven'kov, Ilia A; Salnikov, Denis S; Makarov, Sergei V; Boss, Gerry R; Koifman, Oskar I

2013-11-21

We studied the kinetics of reactions of cob(I)alamin and cob(I)inamide with thiosulfate, sulfite, and dithionite by UV-Visible (UV-Vis) and stopped-flow spectroscopy. We found that the two Co(I) species were oxidized by these sulfur-containing compounds to Co(II) forms: oxidation by excess thiosulfate leads to penta-coordinate complexes and oxidation by excess sulfite or dithionite leads to hexa-coordinate Co(II)-SO2(-) complexes. The net scheme involves transfer of three electrons in the case of oxidation by thiosulfate and one electron for oxidation by sulfite and dithionite. On the basis of kinetic data, the nature of the reactive oxidants was suggested, i.e., HS2O3(-) (for oxidation by thiosulfate), S2O5(2-), HSO3(-), and aquated SO2 (for oxidation by sulfite), and S2O4(2-) and SO2(-) (for oxidation by dithionite). No difference was observed in kinetics with cob(i)alamin or cob(i)inamide as reductants.

Kinetic evidence for folding and unfolding intermediates in staphylococcal nuclease.

PubMed

Walkenhorst, W F; Green, S M; Roder, H

1997-05-13

The complex kinetic behavior commonly observed in protein folding studies suggests that a heterogeneous population of molecules exists in solution and that a number of discrete steps are involved in the conversion of unfolded molecules to the fully native form. A central issue in protein folding is whether any of these kinetic events represent conformational steps important for efficient folding rather than side reactions caused by slow steps such as proline isomerization or misfolding of the polypeptide chain. In order to address this question, we used stopped-flow fluorescence techniques to characterize the kinetic mechanism of folding and unfolding for a Pro- variant of SNase in which all six proline residues were replaced by glycines or alanines. Compared to the wild-type protein, which exhibits a series of proline-dependent slow folding phases, the folding kinetics of Pro- SNase were much simpler, which made quantitative kinetic analysis possible. Despite the absence of prolines or other complicating factors, the folding kinetics still contain several phases and exhibit a complex denaturant dependence. The GuHCl dependence of the major observable folding phase and a distinct lag in the appearance of the native state provide clear evidence for an early folding intermediate. The fluorescence of Trp140 in the alpha-helical domain is insensitive to the formation of this early intermediate, which is consistent with a partially folded state with a stable beta-domain and a largely disordered alpha-helical region. A second intermediate is required to model the kinetics of unfolding for the Pro- variant, which shows evidence for a denaturant-induced change in the rate-limiting unfolding step. With the inclusion of these two intermediates, we are able to completely model the major phase(s) in both folding and unfolding across a wide range of denaturant concentrations using a sequential four-state folding mechanism. In order to model the minor slow phase observed for the

A unified gas-kinetic scheme for continuum and rarefied flows IV: Full Boltzmann and model equations

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

Liu, Chang, E-mail: cliuaa@ust.hk; Xu, Kun, E-mail: makxu@ust.hk; Sun, Quanhua, E-mail: qsun@imech.ac.cn

Fluid dynamic equations are valid in their respective modeling scales, such as the particle mean free path scale of the Boltzmann equation and the hydrodynamic scale of the Navier–Stokes (NS) equations. With a variation of the modeling scales, theoretically there should have a continuous spectrum of fluid dynamic equations. Even though the Boltzmann equation is claimed to be valid in all scales, many Boltzmann solvers, including direct simulation Monte Carlo method, require the cell resolution to the order of particle mean free path scale. Therefore, they are still single scale methods. In order to study multiscale flow evolution efficiently, themore » dynamics in the computational fluid has to be changed with the scales. A direct modeling of flow physics with a changeable scale may become an appropriate approach. The unified gas-kinetic scheme (UGKS) is a direct modeling method in the mesh size scale, and its underlying flow physics depends on the resolution of the cell size relative to the particle mean free path. The cell size of UGKS is not limited by the particle mean free path. With the variation of the ratio between the numerical cell size and local particle mean free path, the UGKS recovers the flow dynamics from the particle transport and collision in the kinetic scale to the wave propagation in the hydrodynamic scale. The previous UGKS is mostly constructed from the evolution solution of kinetic model equations. Even though the UGKS is very accurate and effective in the low transition and continuum flow regimes with the time step being much larger than the particle mean free time, it still has space to develop more accurate flow solver in the region, where the time step is comparable with the local particle mean free time. In such a scale, there is dynamic difference from the full Boltzmann collision term and the model equations. This work is about the further development of the UGKS with the implementation of the full Boltzmann collision term in the

Structural-Thermal-Optical-Performance (STOP) Model Development and Analysis of a Field-widened Michelson Interferometer

NASA Technical Reports Server (NTRS)

Scola, Salvatore J.; Osmundsen, James F.; Murchison, Luke S.; Davis, Warren T.; Fody, Joshua M.; Boyer, Charles M.; Cook, Anthony L.; Hostetler, Chris A.; Seaman, Shane T.; Miller, Ian J.;

STOP-IT: Windows executable software for the stop-signal paradigm.

PubMed

Verbruggen, Frederick; Logan, Gordon D; Stevens, Michaël A

2008-05-01

The stop-signal paradigm is a useful tool for the investigation of response inhibition. In this paradigm, subjects are instructed to respond as fast as possible to a stimulus unless a stop signal is presented after a variable delay. However, programming the stop-signal task is typically considered to be difficult. To overcome this issue, we present software called STOP-IT, for running the stop-signal task, as well as an additional analyzing program called ANALYZE-IT. The main advantage of both programs is that they are a precompiled executable, and for basic use there is no need for additional programming. STOP-IT and ANALYZE-IT are completely based on free software, are distributed under the GNU General Public License, and are available at the personal Web sites of the first two authors or at expsy.ugent.be/tscope/stop.html.

BRIEF COMMUNICATION: On the drift kinetic equation driven by plasma flows

NASA Astrophysics Data System (ADS)

Shaing, K. C.

2010-07-01

A drift kinetic equation that is driven by plasma flows has previously been derived by Shaing and Spong 1990 (Phys. Fluids B 2 1190). The terms that are driven by particle speed that is parallel to the magnetic field B have been neglected. Here, such terms are discussed to examine their importance to the equation and to show that these terms do not contribute to the calculations of plasma viscosity in large aspect ratio toroidal plasmas, e.g. tokamaks and stellarators.

A high-order gas-kinetic Navier-Stokes flow solver

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

Li Qibing, E-mail: lqb@tsinghua.edu.c; Xu Kun, E-mail: makxu@ust.h; Fu Song, E-mail: fs-dem@tsinghua.edu.c

2010-09-20

The foundation for the development of modern compressible flow solver is based on the Riemann solution of the inviscid Euler equations. The high-order schemes are basically related to high-order spatial interpolation or reconstruction. In order to overcome the low-order wave interaction mechanism due to the Riemann solution, the temporal accuracy of the scheme can be improved through the Runge-Kutta method, where the dynamic deficiencies in the first-order Riemann solution is alleviated through the sub-step spatial reconstruction in the Runge-Kutta process. The close coupling between the spatial and temporal evolution in the original nonlinear governing equations seems weakened due to itsmore » spatial and temporal decoupling. Many recently developed high-order methods require a Navier-Stokes flux function under piece-wise discontinuous high-order initial reconstruction. However, the piece-wise discontinuous initial data and the hyperbolic-parabolic nature of the Navier-Stokes equations seem inconsistent mathematically, such as the divergence of the viscous and heat conducting terms due to initial discontinuity. In this paper, based on the Boltzmann equation, we are going to present a time-dependent flux function from a high-order discontinuous reconstruction. The theoretical basis for such an approach is due to the fact that the Boltzmann equation has no specific requirement on the smoothness of the initial data and the kinetic equation has the mechanism to construct a dissipative wave structure starting from an initially discontinuous flow condition on a time scale being larger than the particle collision time. The current high-order flux evaluation method is an extension of the second-order gas-kinetic BGK scheme for the Navier-Stokes equations (BGK-NS). The novelty for the easy extension from a second-order to a higher order is due to the simple particle transport and collision mechanism on the microscopic level. This paper will present a hierarchy to

An atmospheric pressure flow reactor: Gas phase kinetics and mechanism in tropospheric conditions without wall effects

NASA Technical Reports Server (NTRS)

Koontz, Steven L.; Davis, Dennis D.; Hansen, Merrill

1988-01-01

A new type of gas phase flow reactor, designed to permit the study of gas phase reactions near 1 atm of pressure, is described. A general solution to the flow/diffusion/reaction equations describing reactor performance under pseudo-first-order kinetic conditions is presented along with a discussion of critical reactor parameters and reactor limitations. The results of numerical simulations of the reactions of ozone with monomethylhydrazine and hydrazine are discussed, and performance data from a prototype flow reactor are presented.

Chemical Dosing and First-Order Kinetics

ERIC Educational Resources Information Center

Hladky, Paul W.

2011-01-01

College students encounter a variety of first-order phenomena in their mathematics and science courses. Introductory chemistry textbooks that discuss first-order processes, usually in conjunction with chemical kinetics or radioactive decay, stop at single, discrete dose events. Although single-dose situations are important, multiple-dose events,…

Kinetic Mechanism of the Dechlorinating Flavin-dependent Monooxygenase HadA*

PubMed Central

Pimviriyakul, Panu; Thotsaporn, Kittisak; Sucharitakul, Jeerus; Chaiyen, Pimchai

2017-01-01

The accumulation of chlorophenols (CPs) in the environment, due to their wide use as agrochemicals, has become a serious environmental problem. These organic halides can be degraded by aerobic microorganisms, where the initial steps of various biodegradation pathways include an oxidative dechlorinating process in which chloride is replaced by a hydroxyl substituent. Harnessing these dechlorinating processes could provide an opportunity for environmental remediation, but detailed catalytic mechanisms for these enzymes are not yet known. To close this gap, we now report transient kinetics and product analysis of the dechlorinating flavin-dependent monooxygenase, HadA, from the aerobic organism Ralstonia pickettii DTP0602, identifying several mechanistic properties that differ from other enzymes in the same class. We first overexpressed and purified HadA to homogeneity. Analyses of the products from single and multiple turnover reactions demonstrated that HadA prefers 4-CP and 2-CP over CPs with multiple substituents. Stopped-flow and rapid-quench flow experiments of HadA with 4-CP show the involvement of specific intermediates (C4a-hydroperoxy-FAD and C4a-hydroxy-FAD) in the reaction, define rate constants and the order of substrate binding, and demonstrate that the hydroxylation step occurs prior to chloride elimination. The data also identify the non-productive and productive paths of the HadA reactions and demonstrate that product formation is the rate-limiting step. This is the first elucidation of the kinetic mechanism of a two-component flavin-dependent monooxygenase that can catalyze oxidative dechlorination of various CPs, and as such it will serve as the basis for future investigation of enzyme variants that will be useful for applications in detoxifying chemicals hazardous to human health. PMID:28159841

Numerical Analysis of the Cavity Flow subjected to Passive Controls Techniques

NASA Astrophysics Data System (ADS)

Melih Guleren, Kursad; Turk, Seyfettin; Mirza Demircan, Osman; Demir, Oguzhan

2018-03-01

Open-source flow solvers are getting more and more popular for the analysis of challenging flow problems in aeronautical and mechanical engineering applications. They are offered under the GNU General Public License and can be run, examined, shared and modified according to user’s requirements. SU2 and OpenFOAM are the two most popular open-source solvers in Computational Fluid Dynamics (CFD) community. In the present study, some passive control methods on the high-speed cavity flows are numerically simulated using these open-source flow solvers along with one commercial flow solver called ANSYS/Fluent. The results are compared with the available experimental data. The solver SU2 are seen to predict satisfactory the mean streamline velocity but not turbulent kinetic energy and overall averaged sound pressure level (OASPL). Whereas OpenFOAM predicts all these parameters nearly as the same levels of ANSYS/Fluent.

The Effects of Prompting and Feedback on Drivers' Stopping at Stop Signs

ERIC Educational Resources Information Center

Austin, John; Hackett, Stacey; Gravina, Nicole; Lebbon, Angela

2006-01-01

Complete stops at a high-traffic intersection on the campus of a public university were increased with a prompting and consequence intervention. Data were collected at two opposing stop signs (Stop A and Stop B); however, the intervention was implemented only at Stop A. During the intervention, a volunteer stood next to Stop A holding a poster…

A kinetic study of the enhancement of solution chemiluminescence of glyoxylic acid oxidation by manganese species.

PubMed

Otamonga, Jean-Paul; Abdel-Mageed, Amal; Agater, Irena B; Jewsbury, Roger A

2015-08-01

In order to study the mechanism of the enhancement of solution chemiluminescence, the kinetics of the decay of the oxidant and the chemiluminescence emission were followed for oxidations by permanganate, manganese dioxide sol and Mn(3+) (aq) of glyoxylic acid, using stopped-flow spectrophotometry. Results are reported for the glyoxylic acid oxidized under pseudo first-order conditions and in an acidic medium at 25 °C. For permanganate under these conditions, the decay is sigmoidal, consistent with autocatalysis, and for manganese dioxide sol and Mn(3+) it is pseudo first order. The effects of the presence of aqueous formaldehyde and Mn(2+) were observed and a fit to a simple mechanism is discussed. It is concluded that chemiluminescent enhancement in these systems is best explained by reaction kinetics. Copyright © 2014 John Wiley & Sons, Ltd.

Kinetic enhancement via passive deposition of carbon-based nanomaterials in vanadium redox flow batteries

NASA Astrophysics Data System (ADS)

Aaron, Doug; Yeom, Sinchul; Kihm, Kenneth D.; Ashraf Gandomi, Yasser; Ertugrul, Tugrul; Mench, Matthew M.

2017-10-01

Addition of carbon-based nanomaterials to operating flow batteries accomplishes vanadium redox flow battery performance improvement. Initial efforts focus on addition of both pristine graphene and vacuum-filtered reduced graphene oxide (rGO) film on carbon paper supporting electrodes. While the former is unable to withstand convective flow through the porous electrode, the latter shows measurable kinetic improvement, particularly when laid on the polymer electrolyte membrane (PEM) side of the electrode; in contrast to the kinetic performance gain, a deleterious impact on mass transport is observed. Based on this tradeoff, further improvement is realized using perforated rGO films placed on the PEM side of the electrodes. Poor mass transport in the dense rGO film prompts identification of a more uniform, passive deposition method. A suspension of rGO flakes or Vulcan carbon black (XC-72R), both boasting two orders-of-magnitude greater specific surface area than that of common carbon electrodes, is added to the electrolyte reservoirs and allowed to passively deposit on the carbon paper or carbon felt supporting electrodes. For common carbon felt electrodes, addition of rGO flakes or XC-72R enables a tripling of current density at the same 80% voltage efficiency.

Kinetic analysis of IMP split dose method for two consecutive measurement of cerebral blood flow

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

Nishizawa, S.; Yonekura, Y.; Tanaka, F.

1994-05-01

The split dose method for two consecutive measurements of cerebral blood flow (CBF) with I-123 IMP seems to offer a great merit to the SPECT study of the brain. However, because of complexity of the dynamics of IMP, it is not clear if microsphere (MS) model permits a estimation of CBF for the 2nd dose. We applied kinetic (KN) analysis based on 2 compartment model to the dynamic SPECT scan data, and compared the results with those obtained by MS model. Dynamic SPECT (1-min scans for 50 min) was performed using 3-head SPECT camera in 5 patients to test themore » reproducibility of measured CBF and in 9 patients to test the vascular response to acetazolamide (ACZ). Two doses of IMP (111 MBq each) were injected at the time of, and 25 min after, the scan initiation. ACZ (1g) was administered at 13 min. Arterial blood samples were drawn manually during the scan and an octanol extracted input function was obtained. Dynamic scan data for 22 min was used for CBF by KN analysis (K1), and 4-min scan data at 5 min for CBF by MS model (Km), for each dose. For 2nd CBF by MS model, simple subtraction of brain activity due to the I st dose was done using 4-min scan data just prior to the 2nd dose. Reproducibility of measured CBF by KN analysis was excellent (r=0.949, 1st K1=39.2{plus_minus}5.6 and 2nd K1=38.5{plus_minus}6.6 ml/l00g/min: mean{plus_minus}SD). Vascular response to ACZ was good (1st K1=42.4{plus_minus}7.8 to 2nd K1=67.9{plus_minus}10.0) in areas without ischemia, but poor (1st K1=41.1{plus_minus}8.5 to 2nd K1=46.1{plus_minus}11.1) in ischemic areas. Compared to KN analysis, MS model underestimated 3.5% for the 1st CBF measurement and 12.8% for the 2nd. However, excellent correlation was observed not only between 1st K1 and Km (r=0.993, slope=0.920) but between 2nd K1 and Km (r=0.994, slope=0.814), and the results permitted a reasonable correction for Km.« less

Flow-Induced New Channels of Energy Exchange in Multi-Scale Plasma Dynamics – Revisiting Perturbative Hybrid Kinetic-MHD Theory

PubMed Central

Shiraishi, Junya; Miyato, Naoaki; Matsunaga, Go

2016-01-01

It is found that new channels of energy exchange between macro- and microscopic dynamics exist in plasmas. They are induced by macroscopic plasma flow. This finding is based on the kinetic-magnetohydrodynamic (MHD) theory, which analyses interaction between macroscopic (MHD-scale) motion and microscopic (particle-scale) dynamics. The kinetic-MHD theory is extended to include effects of macroscopic plasma flow self-consistently. The extension is realised by generalising an energy exchange term due to wave-particle resonance, denoted by δ WK. The first extension is generalisation of the particle’s Lagrangian, and the second one stems from modification to the particle distribution function due to flow. These extensions lead to a generalised expression of δ WK, which affects the MHD stability of plasmas. PMID:27160346

STATIC AND KINETIC SITE-SPECIFIC PROTEIN-DNA PHOTOCROSSLINKING: ANALYSIS OF BACTERIAL TRANSCRIPTION INITIATION COMPLEXES

PubMed Central

Naryshkin, Nikolai; Druzhinin, Sergei; Revyakin, Andrei; Kim, Younggyu; Mekler, Vladimir; Ebright, Richard H.

2009-01-01

Static site-specific protein-DNA photocrosslinking permits identification of protein-DNA interactions within multiprotein-DNA complexes. Kinetic site-specific protein-DNA photocrosslinking--involving rapid-quench-flow mixing and pulsed-laser irradiation--permits elucidation of pathways and kinetics of formation of protein-DNA interactions within multiprotein-DNA complexes. We present detailed protocols for application of static and kinetic site-specific protein-DNA photocrosslinking to bacterial transcription initiation complexes. PMID:19378179

Stopped-in-loop flow analysis system for successive determination of trace vanadium and iron in drinking water using their catalytic reactions.

PubMed

Ayala Quezada, Alejandro; Ohara, Keisuke; Ratanawimarnwong, Nuanlaor; Nacapricha, Duangjai; Murakami, Hiroya; Teshima, Norio; Sakai, Tadao

2015-11-01

An automated stopped-in-loop flow analysis (SILFA) system is proposed for the successive catalytic determination of vanadium and iron. The determination of vanadium was based on the p-anisidine oxidation by potassium bromate in the presence of Tiron as an activator to form a reddish dye, which has an absorption maximum at 510 nm. The selectivity of the vanadium determination was greatly improved by adding diphosphate as a masking agent of iron. For the iron determination, an iron-catalyzed oxidative reaction of p-anisidine by hydrogen peroxide with 1,10-phenanthroline as an activator to produce a reddish dye (510 nm) was employed. The SILFA system consisted of two peristaltic pumps, two six-port injection valves, a four-port selection valve, a heater device, a spectrophotometric detector and a data acquisition device. One six-port injection valve was used for the isolation of a mixed solution of standard/sample and reagent to promote each catalytic reaction, and another six-port injection valve was used for switching the reagent for vanadium or iron to achieve selective determination of each analyte. The above mentioned four-port selection valve was used to select standard solutions or sample. These three valves and the two peristaltic pumps were controlled by a built-in programmable logic controller in a touchscreen controller. The obtained results showed that the proposed SILFA monitoring system constituted an effective approach for the selective determination of vanadium and iron. The limits of detection, 0.052 and 0.55 µg L(-1), were obtained for vanadium and iron, respectively. The proposed system was successfully applied to drinking water samples without any preconcentration procedures. Copyright © 2015 Elsevier B.V. All rights reserved.

Flocculation kinetics and aggregate structure of kaolinite mixtures in laminar tube flow.

PubMed

Vaezi G, Farid; Sanders, R Sean; Masliyah, Jacob H

2011-03-01

Flocculation is commonly used in various solid-liquid separation processes in chemical and mineral industries to separate desired products or to treat waste streams. This paper presents an experimental technique to study flocculation processes in laminar tube flow. This approach allows for more realistic estimation of the shear rate to which an aggregate is exposed, as compared to more complicated shear fields (e.g. stirred tanks). A direct sampling method is used to minimize the effect of sampling on the aggregate structure. A combination of aggregate settling velocity and image analysis was used to quantify the structure of the aggregate. Aggregate size, density, and fractal dimension were found to be the most important aggregate structural parameters. The two methods used to determine aggregate fractal dimension were in good agreement. The effects of advective flow through an aggregate's porous structure and transition-regime drag coefficient on the evaluation of aggregate density were considered. The technique was applied to investigate the flocculation kinetics and the evolution of the aggregate structure of kaolin particles with an anionic flocculant under conditions similar to those of oil sands fine tailings. Aggregates were formed using a well controlled two-stage aggregation process. Detailed statistical analysis was performed to investigate the establishment of dynamic equilibrium condition in terms of aggregate size and density evolution. An equilibrium steady state condition was obtained within 90 s of the start of flocculation; after which no further change in aggregate structure was observed. Although longer flocculation times inside the shear field could conceivably cause aggregate structure conformation, statistical analysis indicated that this did not occur for the studied conditions. The results show that the technique and experimental conditions employed here produce aggregates having a well-defined, reproducible structure. Copyright © 2011

Kinetic aspects of the coil-stretch transition of polymer chains in dilute solution under extensional flow

NASA Astrophysics Data System (ADS)

Hernández Cifre, J. G.; García de la Torre, J.

2001-11-01

When linear polymer chains in dilute solution are subject to extensional flow, each chain in the sample experiences the coil-stretch transition at a different time. Using Brownian dynamics simulation, we have studied the distribution of transition times in terms of the extensional rate and the length of the chains. If instead of time one characterizes the effect of the flow by the accumulated strain, then the distribution and its moments seem to take general forms, independent of molecular weight and flow rate, containing some numerical, universal constants that have been evaluated from the dynamical simulation. The kinetics of the transition, expressed by the time-dependence of the fraction of remaining coils, has also been simulated, and the results for the kinetic rate constant has been rationalized in a manner similar to that used for the transition time. The molecular individualism, characterized in this work by the distribution of transition times, is related to the excess of the applied extensional rate over its critical value, which will determine the transition time and other features of the coil-stretch transition.

Reduced and Validated Kinetic Mechanisms for Hydrogen-CO-sir Combustion in Gas Turbines

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

Yiguang Ju; Frederick Dryer

2009-02-07

Rigorous experimental, theoretical, and numerical investigation of various issues relevant to the development of reduced, validated kinetic mechanisms for synthetic gas combustion in gas turbines was carried out - including the construction of new radiation models for combusting flows, improvement of flame speed measurement techniques, measurements and chemical kinetic analysis of H{sub 2}/CO/CO{sub 2}/O{sub 2}/diluent mixtures, revision of the H{sub 2}/O{sub 2} kinetic model to improve flame speed prediction capabilities, and development of a multi-time scale algorithm to improve computational efficiency in reacting flow simulations.

Ethyl acetate as an acyl donor in the continuous flow kinetic resolution of (±)-1-phenylethylamine catalyzed by lipases.

PubMed

de Miranda, Amanda S; Miranda, Leandro S M; de Souza, Rodrigo O M A

2013-05-28

The synthesis of chiral amines is still a challenge for organic synthesis since optically pure amines are of great importance for the pharmaceutical and agrochemical industries. Among all the methodologies developed until now, chemoenzymatic dynamic kinetic resolution has proven to be useful for the preparation of enantioenriched primary chiral amines. In our continuous efforts toward the development of a continuous flow process, herein we report our results on the continuous flow kinetic resolution of (±)-1-phenylethylamine leading to the desired products with high enantiomeric ratios (>200) and short residence times (40 minutes) using ethyl acetate as the acyl donor.

Determination of the DNA-binding characteristics of ethidium bromide, proflavine, and cisplatin by flow injection analysis: usefulness in studies on antitumor drugs.

PubMed

Alonso, A; Almendral, M J; Curto, Y; Criado, J J; Rodríguez, E; Manzano, J L

2006-08-15

Flow injection analysis was used to study the reactions occurring between DNA and certain compounds that bind to its double helix, deforming this and even breaking it, such that some of them (e.g., cisplatin) are endowed with antitumoral activity. Use of this technique in the merging zones and stopped-flow modes afforded data on the binding parameters and the kinetic characteristics of the process. The first compound studied was ethidium bromide (EtdBr), used as a fluorescent marker because its fluorescence is enhanced when it binds to DNA. The DNA-EtdBr binding parameters, the apparent intrinsic binding constant (0.31+/-0.02 microM(-1)), and the maximum number of binding sites per nucleotide (0.327+/-0.009) were determined. The modification introduced in these parameters by the presence of proflavine (Prf), a classic competitive inhibitor of the binding of EtdBr to the DNA double helix, was also studied, determining the value of the intrinsic binding constant of Prf (K(Prf) = 0.119+/-9x10(-3) microM(-1)). Finally, we determined the binding parameters between DNA and EtdBr in the presence of the antitumor agent cisplatin, a noncompetitive inhibitor of such binding. This provided information about the binding mechanism as well as the duration and activity of the binding of the compound in its pharmacological use.

Energy Cascade Analysis: from Subscale Eddies to Mean Flow

NASA Astrophysics Data System (ADS)

Cheikh, Mohamad Ibrahim; Wonnell, Louis; Chen, James

2017-11-01

Understanding the energy transfer between eddies and mean flow can provide insights into the energy cascade process. Much work has been done to investigate the energy cascade at the level of the smallest eddies using different numerical techniques derived from the Navier-Stokes equations. These methodologies, however, prove to be computationally inefficient when producing energy spectra for a wide range of length scales. In this regard, Morphing Continuum Theory (MCT) resolves the length-scales issues by assuming the fluid continuum to be composed of inner structures that play the role of subscale eddies. The current study show- cases the capabilities of MCT in capturing the dynamics of energy cascade at the level of subscale eddies, through a supersonic turbulent flow of Mach 2.93 over an 8× compression ramp. Analysis of the results using statistical averaging procedure shows the existence of a statistical coupling of the internal and translational kinetic energy fluctuations with the corresponding rotational kinetic energy of the subscale eddies, indicating a multiscale transfer of energy. The results show that MCT gives a new characterization of the energy cascade within compressible turbulence without the use of excessive computational resources. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-17-1-0154.

Steady flow of smooth, inelastic particles on a bumpy inclined plane: Hard and soft particle simulations

NASA Astrophysics Data System (ADS)

Tripathi, Anurag; Khakhar, D. V.

2010-04-01

We study smooth, slightly inelastic particles flowing under gravity on a bumpy inclined plane using event-driven and discrete-element simulations. Shallow layers (ten particle diameters) are used to enable simulation using the event-driven method within reasonable computational times. Steady flows are obtained in a narrow range of angles (13°-14.5°) ; lower angles result in stopping of the flow and higher angles in continuous acceleration. The flow is relatively dense with the solid volume fraction, ν≈0.5 , and significant layering of particles is observed. We derive expressions for the stress, heat flux, and dissipation for the hard and soft particle models from first principles. The computed mean velocity, temperature, stress, dissipation, and heat flux profiles of hard particles are compared to soft particle results for different values of stiffness constant (k) . The value of stiffness constant for which results for hard and soft particles are identical is found to be k≥2×106mg/d , where m is the mass of a particle, g is the acceleration due to gravity, and d is the particle diameter. We compare the simulation results to constitutive relations obtained from the kinetic theory of Jenkins and Richman [J. T. Jenkins and M. W. Richman, Arch. Ration. Mech. Anal. 87, 355 (1985)] for pressure, dissipation, viscosity, and thermal conductivity. We find that all the quantities are very well predicted by kinetic theory for volume fractions ν<0.5 . At higher densities, obtained for thicker layers ( H=15d and H=20d ), the kinetic theory does not give accurate prediction. Deviations of the kinetic theory predictions from simulation results are relatively small for dissipation and heat flux and most significant deviations are observed for shear viscosity and pressure. The results indicate the range of applicability of soft particle simulations and kinetic theory for dense flows.

Analysis of Internet information on the controversial X-Stop device.

PubMed

Anderson, Joshua T; Sullivan, T Barrett; Ahn, Uri M; Ahn, Nicholas U

2014-10-01

The Internet is frequently used by patients to aid in medical decision making. Multiple studies display the Internet's ineffectiveness in presenting high-quality information regarding surgical procedures and devices. With recent reports of unacceptably high complication rates and poor outcomes with the X-Stop device, it is important that online information is comprehensive and accurate. This study is the first to examine Internet information on the controversial X-Stop. To determine how accurately public information over the Internet portrays the existing primary literature on the X-Stop, how extensively the X-Stop is characterized online, and how patient decision making could foreseeably be affected. This cross-sectional study analyzed publicly available Internet information, including videos on the web site YouTube regarding the X-Stop device. No patients were involved in this study. No specific outcome measures were used. Search engines Google, Yahoo, and Bing were used to identify 105 web sites providing information on the X-Stop. Videos on the web site YouTube were included. Web sites were categorized based on the authorship. Each site was analyzed for the provision of appropriate patient inclusion and exclusion criteria, surgical and nonsurgical treatment alternatives, purported benefits, common complications, peer-reviewed literature citations, and descriptions/diagrams of the procedure. Data were evaluated for each authorship subgroup and the entire group of sites. Forty-three percent of sites were authored by a private medical group, 4% by an academic medical group, 16% by an insurance company, 9% by a biomedical industry, 10% by news sources, and 19% by other. Thirty-one percent of web sites and 11% of sites authored by private medical groups contained references to peer-reviewed literature. Fifty-six percent of web sites reported patient inclusion criteria, whereas 33% reported exclusion criteria. Benefits and complications were reported within 91% and

Modeling level-of-safety for bus stops in China.

PubMed

Ye, Zhirui; Wang, Chao; Yu, Yongbo; Shi, Xiaomeng; Wang, Wei

2016-08-17

Safety performance at bus stops is generally evaluated by using historical traffic crash data or traffic conflict data. However, in China, it is quite difficult to obtain such data mainly due to the lack of traffic data management and organizational issues. In light of this, the primary objective of this study is to develop a quantitative approach to evaluate bus stop safety performance. The concept of level-of-safety for bus stops is introduced and corresponding models are proposed to quantify safety levels, which consider conflict points, traffic factors, geometric characteristics, traffic signs and markings, pavement conditions, and lighting conditions. Principal component analysis and k-means clustering methods were used to model and quantify safety levels for bus stops. A case study was conducted to show the applicability of the proposed model with data collected from 46 samples for the 7 most common types of bus stops in China, using 32 of the samples for modeling and 14 samples for illustration. Based on the case study, 6 levels of safety for bus stops were defined. Finally, a linear regression analysis between safety levels and the number of traffic conflicts showed that they had a strong relationship (R(2) value of 0.908). The results indicated that the method was well validated and could be practically used for the analysis and evaluation of bus stop safety in China. The proposed model was relatively easy to implement without the requirement of traffic crash data and/or traffic conflict data. In addition, with the proposed method, it was feasible to evaluate countermeasures to improve bus stop safety (e.g., exclusive bus lanes).

High pressure stopped-flow apparatus for the rapid mixing and subsequent study of two fluids under high hydrostatic pressures

NASA Astrophysics Data System (ADS)

Karan, Daniel M.; Macey, Robert I.

1980-08-01

A stopped-flow apparatus is described for the rapid mixing and subsequent study of two dissimilar fluids under pressures up to 1200 bar. The device consists of two identical pressure chambers which contain the two fluids, a third pressure chamber which contains gas to maintain the pressure in the system, an optical port for photometric observation, and various connections. The device has been used to measure reaction times on the order of a hundred milliseconds to tens of seconds, using a maximum of 2 ml of each reagent per experimental determination. The dead time is found to be 5-25 ms with minium average flow velocities of 2.0 m/s. The construction and operation of the device are described and examples of water transport data in red blood cells and the bromophenolblue indicated chemical reaction of NaHCO3 and HCl under pressure are presented.

Second stop and sbottom searches with a stealth stop

NASA Astrophysics Data System (ADS)

Cheng, Hsin-Chia; Li, Lingfeng; Qin, Qin

2016-11-01

The top squarks (stops) may be the most wanted particles after the Higgs boson discovery. The searches for the lightest stop have put strong constraints on its mass. However, there is still a search gap in the low mass region if the spectrum of the stop and the lightest neutralino is compressed. In that case, it may be easier to look for the second stop since naturalness requires both stops to be close to the weak scale. The current experimental searches for the second stop are based on the simplified model approach with the decay modes {overset{˜ }{t}}_2to {overset{˜ }{t}}_1Z and {overset{˜ }{t}}_2to {overset{˜ }{t}}_1h . However, in a realistic supersymmetric spectrum there is always a sbottom lighter than the second stop, hence the decay patterns are usually more complicated than the simplified model assumptions. In particular, there are often large branching ratios of the decays {overset{˜ }{t}}_2to {overset{˜ }{b}}_1W and {overset{˜ }{b}}_1to {overset{˜ }{t}}_1W as long as they are open. The decay chains can be even more complex if there are intermediate states of additional charginos and neutralinos in the decays. By studying several MSSM benchmark models at the 14 TeV LHC, we point out the importance of the multi- W final states in the second stop and the sbottom searches, such as the same-sign dilepton and multilepton signals, aside from the traditional search modes. The observed same-sign dilepton excesses at LHC Run 1 and Run 2 may be explained by some of our benchmark models. We also suggest that the vector boson tagging and a new kinematic variable may help to suppress the backgrounds and increase the signal significance for some search channels. Due to the complex decay patterns and lack of the dominant decay channels, the best reaches likely require a combination of various search channels at the LHC for the second stop and the lightest sbottom.

Fibrillization kinetics of insulin solution in an interfacial shearing flow

NASA Astrophysics Data System (ADS)

Balaraj, Vignesh; McBride, Samantha; Hirsa, Amir; Lopez, Juan

2015-11-01

Although the association of fibril plaques with neurodegenerative diseases like Alzheimer's and Parkinson's is well established, in-depth understanding of the roles played by various physical factors in seeding and growth of fibrils is far from well known. Of the numerous factors affecting this complex phenomenon, the effect of fluid flow and shear at interfaces is paramount as it is ubiquitous and the most varying factor in vivo. Many amyloidogenic proteins have been found to denature upon contact at hydrophobic interfaces due to the self-assembling nature of protein in its monomeric state. Here, fibrillization kinetics of insulin solution is studied in an interfacial shearing flow. The transient surface rheological response of the insulin solution to the flow and its effect on the bulk fibrillization process has been quantified. Minute differences in hydrophobic characteristics between two variants of insulin- Human recombinant and Bovine insulin are found to result in very different responses. Results presented will be in the form of fibrillization assays, images of fibril plaques formed, and changes in surface rheological properties of the insulin solution. The interfacial velocity field, measured from images (via Brewster Angle Microscopy), is compared with computations. Supported by NNX13AQ22G, National Aeronautics and Space Administration.

Improvement and analysis of the hydrogen-cerium redox flow cell

NASA Astrophysics Data System (ADS)

Tucker, Michael C.; Weiss, Alexandra; Weber, Adam Z.

2016-09-01

The H2-Ce redox flow cell is optimized using commercially-available cell materials. Cell performance is found to be sensitive to the upper charge cutoff voltage, membrane boiling pretreatment, methanesulfonic-acid concentration, (+) electrode surface area and flow pattern, and operating temperature. Performance is relatively insensitive to membrane thickness, Cerium concentration, and all features of the (-) electrode including hydrogen flow. Cell performance appears to be limited by mass transport and kinetics in the cerium (+) electrode. Maximum discharge power of 895 mW cm-2 was observed at 60 °C; an energy efficiency of 90% was achieved at 50 °C. The H2-Ce cell is promising for energy storage assuming one can optimize Ce reaction kinetics and electrolyte.

Flow chemistry vs. flow analysis.

PubMed

Trojanowicz, Marek

2016-01-01

The flow mode of conducting chemical syntheses facilitates chemical processes through the use of on-line analytical monitoring of occurring reactions, the application of solid-supported reagents to minimize downstream processing and computerized control systems to perform multi-step sequences. They are exactly the same attributes as those of flow analysis, which has solid place in modern analytical chemistry in several last decades. The following review paper, based on 131 references to original papers as well as pre-selected reviews, presents basic aspects, selected instrumental achievements and developmental directions of a rapidly growing field of continuous flow chemical synthesis. Interestingly, many of them might be potentially employed in the development of new methods in flow analysis too. In this paper, examples of application of flow analytical measurements for on-line monitoring of flow syntheses have been indicated and perspectives for a wider application of real-time analytical measurements have been discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

Intelligent Flow Control Valve

NASA Technical Reports Server (NTRS)

Kelley, Anthony R (Inventor)

2015-01-01

The present invention is an intelligent flow control valve which may be inserted into the flow coming out of a pipe and activated to provide a method to stop, measure, and meter flow coming from the open or possibly broken pipe. The intelligent flow control valve may be used to stop the flow while repairs are made. Once repairs have been made, the valve may be removed or used as a control valve to meter the amount of flow from inside the pipe. With the addition of instrumentation, the valve may also be used as a variable area flow meter and flow controller programmed based upon flowing conditions. With robotic additions, the valve may be configured to crawl into a desired pipe location, anchor itself, and activate flow control or metering remotely.

Effects of three postexercice recovery treatments on femoral artery blood flow kinetics.

PubMed

Ménétrier, A; Mourot, L; Degano, B; Bouhaddi, M; Walther, G; Regnard, J; Tordi, N

2015-04-01

This study aimed to compare the kinetics of muscle leg blood flow during three recovery treatments following a prolonged exercise: contrast water therapy (CWT), compression stockings (CS) or passive recovery (PR). Fifteen men came to the laboratory three times to perform a 45-min exercise followed 5 min after by a standardized 12-min recovery treatment in upright position, alternating between two vats every 2 min: CWT (cold: ~12 °C to warm: 36 °C), CS (~20 mmHg) or PR. The order of treatments was randomized. Blood flow was measured using Doppler ultrasound during the recovery treatments (i.e., min 3, 5, 7 and 9) in the superficial femoral artery distally to the common bifurcation (~3 cm) (above the water and stocking). Blood flow was significantly higher during CWT (P<0.01; +22.91%) and CS (P<0.05; +15.26%) than during PR. Although no statistical difference between CWT and CS was observed, effect sizes were larger during CWT (large) than during CS (moderate). No changes in blood flow occurred in the femoral artery between hot and cold transitions of CWT. During immediate recovery of a high intensity exercise, CWT and CS trigger higher femoral artery blood flow than PR. Moreover, effect sizes were greater during CWT than during CS.

Technical note: Influence of surface roughness and local turbulence on coated-wall flow tube experiments for gas uptake and kinetic studies

NASA Astrophysics Data System (ADS)

Li, Guo; Su, Hang; Kuhn, Uwe; Meusel, Hannah; Ammann, Markus; Shao, Min; Pöschl, Ulrich; Cheng, Yafang

2018-02-01

Coated-wall flow tube reactors are frequently used to investigate gas uptake and heterogeneous or multiphase reaction kinetics under laminar flow conditions. Coating surface roughness may potentially distort the laminar flow pattern, induce turbulence and introduce uncertainties in the calculated uptake coefficient based on molecular diffusion assumptions (e.g., Brown/Cooney-Kim-Davis (CKD)/Knopf-Pöschl-Shiraiwa (KPS) methods), which has not been fully resolved in earlier studies. Here, we investigate the influence of surface roughness and local turbulence on coated-wall flow tube experiments for gas uptake and kinetic studies. According to laminar boundary theory and considering the specific flow conditions in a coated-wall flow tube, we derive and propose a critical height δc to evaluate turbulence effects in the design and analysis of coated-wall flow tube experiments. If a geometric coating thickness δg is larger than δc, the roughness elements of the coating may cause local turbulence and result in overestimation of the real uptake coefficient (γ). We further develop modified CKD/KPS methods (i.e., CKD-LT/KPS-LT) to account for roughness-induced local turbulence effects. By combination of the original methods and their modified versions, the maximum error range of γCKD (derived with the CKD method) or γKPS (derived with the KPS method) can be quantified and finally γ can be constrained. When turbulence is generated, γCKD or γKPS can bear large difference compared to γ. Their difference becomes smaller for gas reactants with lower uptake (i.e., smaller γ) and/or for a smaller ratio of the geometric coating thickness to the flow tube radius (δg / R0). On the other hand, the critical height δc can also be adjusted by optimizing flow tube configurations and operating conditions (i.e., tube diameter, length, and flow velocity), to ensure not only unaffected laminar flow patterns but also other specific requirements for an individual flow tube

Intracompartmental pressure as a predictor of intratesticular blood flow: a rat model.

PubMed

Watson, Matthew J; Bartkowski, Donald P; Nelson, Nathan C

2015-06-01

We identified an intratesticular pressure at which vascular flow would cease in a testicular compartment syndrome model, defining a critical vascular stop flow pressure. A total of 52 male Sprague Dawley® rats were used for the study. The testicle of each rat was delivered from the scrotum and size measurements were taken. An intracompartment pressure monitor needle was inserted into the testis to record basal intratesticular pressure. The monitor needle remained in the testicle for the duration of the procedure. Vascular flow within the testis was measured using a variable frequency linear ultrasound transducer with color flow and pulse wave Doppler modalities. Saline was infused through the compartment monitor in 5 mm Hg increments via a pressure infusion pump. Following each 5 mm Hg increase intratesticular vascular blood flow and velocities were recorded using color flow and pulse wave, respectively. Data collection proceeded until color flow images indicated a complete absence of flow within the testis. Using a paired t-test (p <0.0001), mean color flow stop flow pressure was 52.17 mm Hg (95% CI 49.57-54.77) and pulse wave stop flow pressure was 36.34 mm Hg (95% CI 33.90-38.77). Regression analysis of pulse wave vs color flow showed a slope of 0.6960 ± 0.09112, a y-intercept of 0.02427 ± 4.824 and an x-intercept of -0.03486. This is the first known study to characterize a stop flow pressure within the testicular parenchyma resulting from an increased intracompartmental pressure. Due to probe sensitivity limitations, color flow appears to provide the most precise mean pressure of occlusion of 52.17 mm Hg. Copyright © 2015 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.

Advances in the analysis and prediction of turbulent viscoelastic flows

NASA Astrophysics Data System (ADS)

Gatski, T. B.; Thais, L.; Mompean, G.

2014-08-01

It has been well-known for over six decades that the addition of minute amounts of long polymer chains to organic solvents, or water, can lead to significant turbulent drag reduction. This discovery has had many practical applications such as in pipeline fluid transport, oil well operations, vehicle design and submersible vehicle projectiles, and more recently arteriosclerosis treatment. However, it has only been the last twenty-five years that the full utilization of direct numerical simulation of such turbulent viscoelastic flows has been achieved. The unique characteristics of viscoelastic fluid flow are dictated by the nonlinear differential relationship between the flow strain rate field and the extra-stress induced by the additive polymer. A primary motivation for the analysis of these turbulent fluid flows is the understanding of the effect on the dynamic transfer of energy in the turbulent flow due to the presence of the extra-stress field induced by the presence of the viscoelastic polymer chain. Such analyses now utilize direct numerical simulation data of fully developed channel flow for the FENE-P (Finite Extendable Nonlinear Elastic - Peterlin) fluid model. Such multi-scale dynamics suggests an analysis of the transfer of energy between the various component motions that include the turbulent kinetic energy, and the mean polymeric and elastic potential energies. It is shown that the primary effect of the interaction between the turbulent and polymeric fields is to transfer energy from the turbulence to the polymer.

Investigation of nuclear stopping observable in heavy ion collisions

NASA Astrophysics Data System (ADS)

Deepshikha; Kumar, Suneel

2018-07-01

Detailed analysis has been made on nuclear stopping using various observable. Transport model, isospin dependent quantum molecular dynamics model (IQMD) has been used to study stopping over the whole mass range at incident energies between 10 MeV/nucleon and 1000 MeV/nucleon. Our study proves that ratio of width of transverse to longitudinal rapidity distribution i.e., < varxz > is the most suitable parameter to study nuclear stopping. Also, it has been observed that light mass fragments (LMF's) emitted from participant region can be used as barometer to study nuclear stopping.

Effect of External Pressure and Catheter Gauge on Flow Rate, Kinetic Energy, and Endothelial Injury During Intravenous Fluid Administration in a Rabbit Model.

PubMed

Hu, Mei-Hua; Chan, Wei-Hung; Chen, Yao-Chang; Cherng, Chen-Hwan; Lin, Chih-Kung; Tsai, Chien-Sung; Chou, Yu-Ching; Huang, Go-Shine

2016-01-01

The effects of intravenous (IV) catheter gauge and pressurization of IV fluid (IVF) bags on fluid flow rate have been studied. However, the pressure needed to achieve a flow rate equivalent to that of a 16 gauge (G) catheter through smaller G catheters and the potential for endothelial damage from the increased kinetic energy produced by higher pressurization are unclear. Constant pressure on an IVF bag was maintained by an automatic adjustable pneumatic pressure regulator of our own design. Fluids running through 16 G, 18 G, 20 G, and 22 G catheters were assessed while using IV bag pressurization to achieve the flow rate equivalent to that of a 16 G catheter. We assessed flow rates, kinetic energy, and flow injury to rabbit inferior vena cava endothelium. By applying sufficient external constant pressure to an IVF bag, all fluids could be run through smaller (G) catheters at the flow rate in a 16 G catheter. However, the kinetic energy increased significantly as the catheter G increased. Damage to the venous endothelium was negligible or minimal/patchy cell loss. We designed a new rapid infusion system, which provides a constant pressure that compresses the fluid volume until it is free from visible residual fluid. When large-bore venous access cannot be obtained, multiple smaller catheters, external pressure, or both should be considered. However, caution should be exercised when fluid pressurized to reach a flow rate equivalent to that in a 16 G catheter is run through a smaller G catheter because of the profound increase in kinetic energy that can lead to venous endothelium injury.

Electro-hydrodynamics and kinetic modelling of polluted air flow activated by multi-tip-to-plane corona discharge

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

Meziane, M.; Eichwald, O.; Ducasse, O.

The present paper is devoted to the 2D simulation of an Atmospheric Corona Discharge Reactor (ACDR) involving 10 pins powered by a DC high voltage and positioned 7 mm above a grounded metallic plane. The corona reactor is periodically crossed by thin mono filamentary streamers with a natural repetition frequency of some tens of kHz. The simulation involves the electro-dynamic, chemical kinetic, and neutral gas hydrodynamic phenomena that influence the kinetics of the chemical species transformation. Each discharge stage (including the primary and the secondary streamers development and the resulting thermal shock) lasts about one hundred nanoseconds while the post-dischargemore » stages occurring between two successive discharge phases last one hundred microseconds. The ACDR is crossed by a lateral air flow including 400 ppm of NO. During the considered time scale of 10 ms, one hundred discharge/post-discharge cycles are simulated. The simulation involves the radical formation and thermal exchange between the discharges and the background gas. The results show how the successive discharges activate the flow gas and how the induced turbulence phenomena affect the redistribution of the thermal energy and the chemical kinetics inside the ACDR.« less

The challenge of rapid diagnosis in oncology: Diagnostic accuracy and cost analysis of a large-scale one-stop breast clinic.

PubMed

Delaloge, Suzette; Bonastre, Julia; Borget, Isabelle; Garbay, Jean-Rémi; Fontenay, Rachel; Boinon, Diane; Saghatchian, Mahasti; Mathieu, Marie-Christine; Mazouni, Chafika; Rivera, Sofia; Uzan, Catherine; André, Fabrice; Dromain, Clarisse; Boyer, Bruno; Pistilli, Barbara; Azoulay, Sandy; Rimareix, Françoise; Bayou, El-Hadi; Sarfati, Benjamin; Caron, Hélène; Ghouadni, Amal; Leymarie, Nicolas; Canale, Sandra; Mons, Muriel; Arfi-Rouche, Julia; Arnedos, Monica; Suciu, Voichita; Vielh, Philippe; Balleyguier, Corinne

2016-10-01

Rapid diagnosis is a key issue in modern oncology, for which one-stop breast clinics are a model. We aimed to assess the diagnosis accuracy and procedure costs of a large-scale one-stop breast clinic. A total of 10,602 individuals with suspect breast lesions attended the Gustave Roussy's regional one-stop breast clinic between 2004 and 2012. The multidisciplinary clinic uses multimodal imaging together with ultrasonography-guided fine needle aspiration for masses and ultrasonography-guided and stereotactic biopsies as needed. Diagnostic accuracy was assessed by comparing one-stop diagnosis to the consolidated diagnosis obtained after surgery or biopsy or long-term monitoring. The medical cost per patient of the care pathway was assessed from patient-level data collected prospectively. Sixty-nine percent of the patients had masses, while 31% had micro-calcifications or other non-mass lesions. In 75% of the cases (87% of masses), an exact diagnosis could be given on the same day. In the base-case analysis (i.e. considering only benign and malignant lesions at one-stop and at consolidated diagnoses), the sensitivity of the one-stop clinic was 98.4%, specificity 99.8%, positive and negative predictive values 99.7% and 99.0%. In the sensitivity analysis (reclassification of suspect, atypical and undetermined lesions), diagnostic sensitivity varied from 90.3% to 98.5% and specificity varied from 94.3% to 99.8%. The mean medical cost per patient of one-stop diagnostic procedure was €420. One-stop breast clinic can provide timely and cost-efficient delivery of highly accurate diagnoses and serve as models of care for multiple settings, including rapid screening-linked diagnosis. Copyright © 2016 Elsevier Ltd. All rights reserved.

Improvement and analysis of the hydrogen-cerium redox flow cell

DOE PAGES

Tucker, Michael C.; Weiss, Alexandra; Weber, Adam Z.

2016-08-03

In this paper, the H 2-Ce redox flow cell is optimized using commercially-available cell materials. Cell performance is found to be sensitive to the upper charge cutoff voltage, membrane boiling pretreatment, methanesulfonic-acid concentration, (+) electrode surface area and flow pattern, and operating temperature. Performance is relatively insensitive to membrane thickness, Cerium concentration, and all features of the (-) electrode including hydrogen flow. Cell performance appears to be limited by mass transport and kinetics in the cerium (+) electrode. Maximum discharge power of 895 mW cm -2 was observed at 60 °C; an energy efficiency of 90% was achieved at 50more » °C. Finally, the H 2-Ce cell is promising for energy storage assuming one can optimize Ce reaction kinetics and electrolyte.« less

Monitoring lipase/esterase activity by stopped flow in a sequential injection analysis system using p-nitrophenyl butyrate.

PubMed

Pliego, Jorge; Mateos, Juan Carlos; Rodriguez, Jorge; Valero, Francisco; Baeza, Mireia; Femat, Ricardo; Camacho, Rosa; Sandoval, Georgina; Herrera-López, Enrique J

2015-01-27

Lipases and esterases are biocatalysts used at the laboratory and industrial level. To obtain the maximum yield in a bioprocess, it is important to measure key variables, such as enzymatic activity. The conventional method for monitoring hydrolytic activity is to take out a sample from the bioreactor to be analyzed off-line at the laboratory. The disadvantage of this approach is the long time required to recover the information from the process, hindering the possibility to develop control systems. New strategies to monitor lipase/esterase activity are necessary. In this context and in the first approach, we proposed a lab-made sequential injection analysis system to analyze off-line samples from shake flasks. Lipase/esterase activity was determined using p-nitrophenyl butyrate as the substrate. The sequential injection analysis allowed us to measure the hydrolytic activity from a sample without dilution in a linear range from 0.05-1.60 U/mL, with the capability to reach sample dilutions up to 1000 times, a sampling frequency of five samples/h, with a kinetic reaction of 5 min and a relative standard deviation of 8.75%. The results are promising to monitor lipase/esterase activity in real time, in which optimization and control strategies can be designed.

Monitoring Lipase/Esterase Activity by Stopped Flow in a Sequential Injection Analysis System Using p-Nitrophenyl Butyrate

PubMed Central

Pliego, Jorge; Mateos, Juan Carlos; Rodriguez, Jorge; Valero, Francisco; Baeza, Mireia; Femat, Ricardo; Camacho, Rosa; Sandoval, Georgina; Herrera-López, Enrique J.

2015-01-01

Lipases and esterases are biocatalysts used at the laboratory and industrial level. To obtain the maximum yield in a bioprocess, it is important to measure key variables, such as enzymatic activity. The conventional method for monitoring hydrolytic activity is to take out a sample from the bioreactor to be analyzed off-line at the laboratory. The disadvantage of this approach is the long time required to recover the information from the process, hindering the possibility to develop control systems. New strategies to monitor lipase/esterase activity are necessary. In this context and in the first approach, we proposed a lab-made sequential injection analysis system to analyze off-line samples from shake flasks. Lipase/esterase activity was determined using p-nitrophenyl butyrate as the substrate. The sequential injection analysis allowed us to measure the hydrolytic activity from a sample without dilution in a linear range from 0.05–1.60 U/mL, with the capability to reach sample dilutions up to 1000 times, a sampling frequency of five samples/h, with a kinetic reaction of 5 min and a relative standard deviation of 8.75%. The results are promising to monitor lipase/esterase activity in real time, in which optimization and control strategies can be designed. PMID:25633600

Oxygen kinetics and debt during recovery from expiratory flow-limited exercise in healthy humans

PubMed Central

Zakynthinos, S.; Georgiadou, O.; Golemati, S.; Pedotti, A.; Macklem, P. T.; Roussos, C.; Aliverti, A.

2006-01-01

In healthy subjects expiratory flow limitation (EFL) during exercise can lower O2 delivery to the working muscles. We hypothesized that if this affects exercise performance it should influence O2 kinetics at the end of exercise when the O2 debt is repaid. We performed an incremental exercise test on six healthy males with a Starling resistor in the expiratory line limiting expiratory flow to ∼ 1 l s−1 to determine maximal EFL exercise workload (Wmax). In two more square-wave exercise runs subjects exercised with and without EFL at Wmax for 6 min, while measuring arterial O2 saturation (% SaO2), end-tidal pressure of CO2 (PETCO2) and breath-by-breath O2 consumption \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${({\\dot{V}}\\hbox{O}_{2})}$$\\end{document} taking into account changes in O2 stored in the lungs. Over the last minute of EFL exercise, mean PETCO2 (54.7 ± 9.9 mmHg) was significantly higher (P < 0.05) compared to control (41.4 ± 3.9 mmHg). At the end of EFL exercise %SaO2 fell significantly by 4 ± 3%. When exercise stopped, EFL was removed, and we continued to measure \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${{\\dot{V}}\\hbox{O}_{2}.}$$\\end{document} During recovery, there was an immediate step increase in \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${{\\dot{V}}\\hbox{O}_{2},}$$\\end{document} so that repayment of EFL O2 debt started at a higher

An approximate analysis of the diffusing flow in a self-controlled heat pipe.

NASA Technical Reports Server (NTRS)

Somogyi, D.; Yen, H. H.

1973-01-01

Constant-density two-dimensional axisymmetric equations are presented for the diffusing flow of a class of self-controlled heat pipes. The analysis is restricted to the vapor space. Condensation of the vapor is related to its mass fraction at the wall by the gas kinetic formula. The Karman-Pohlhausen integral method is applied to obtain approximate solutions. Solutions are presented for a water heat pipe with neon control gas.

Kinetic and equilibrium aspects of adsorption and desorption of class II hydrophobins HFBI and HFBII at silicon oxynitride/water and air/water interfaces.

PubMed

Krivosheeva, Olga; Dėdinaitė, Andra; Linder, Markus B; Tilton, Robert D; Claesson, Per M

2013-02-26

Hydrophobins are relatively small globular proteins produced by filamentous fungi. They display unusual high surface activity and are implied as mediators of attachment to surfaces, which has resulted in high scientific and technological interest. In this work we focus on kinetic and equilibrium aspects of adsorption and desorption properties of two representatives of class II hydrophobins, namely HFBI and HFBII, at a negatively charged hydrophilic solid/water interface and at the air/water interface. The layers formed at the air/liquid interface were examined in a Langmuir trough, whereas layers formed at the solid/liquid interface were studied using dual polarization interferometry (DPI) under different flow conditions. For comparison, another globular protein, lysozyme, was also investigated. It was found that both the adsorbed amount and the adsorption kinetics were different for HFBI and HFBII, and the adsorption behavior of both hydrophobins on the negatively charged surface displayed some unusual features. For instance, even though the adsorption rate for HFBI was slowed down with increasing adsorbed amount as expected from packing constraints at the interface, the adsorption kinetics curves for HFBII displayed a region indicating adsorption cooperativity. Further, it was found that hydrophobin layers formed under flow partly desorbed when the flow was stopped, and the desorption rate for HFBII was enhanced in the presence of hydrophobins in solution.

Assembly of Colloidal Aggregates by Electrohydrodynamic Flow: Kinetic Experiments and Scaling Analysis

NASA Technical Reports Server (NTRS)

Ristenpart, W. D.; Aksay, I. A.; Saville, D. A.

2004-01-01

Electric fields generate transverse flows near electrodes that sweep colloidal particles into densely packed assemblies. We interpret this behavior in terms of electrohydrodynamic motion stemming from distortions of the field by the particles that alter the body force distribution in the electrode charge polarization layer. A scaling analysis shows how the action of the applied electric field generates fluid motion that carries particles toward one another. The resulting fluid velocity is proportional to the square of the applied field and decreases inversely with frequency. Experimental measurements of the particle aggregation rate accord with the electrohydrodynamic theory over a wide range of voltages and frequencies.

Analysis of a kinetic multi-segment foot model part II: kinetics and clinical implications.

PubMed

Bruening, Dustin A; Cooney, Kevin M; Buczek, Frank L

2012-04-01

Kinematic multi-segment foot models have seen increased use in clinical and research settings, but the addition of kinetics has been limited and hampered by measurement limitations and modeling assumptions. In this second of two companion papers, we complete the presentation and analysis of a three segment kinetic foot model by incorporating kinetic parameters and calculating joint moments and powers. The model was tested on 17 pediatric subjects (ages 7-18 years) during normal gait. Ground reaction forces were measured using two adjacent force platforms, requiring targeted walking and the creation of two sub-models to analyze ankle, midtarsal, and 1st metatarsophalangeal joints. Targeted walking resulted in only minimal kinematic and kinetic differences compared with walking at self selected speeds. Joint moments and powers were calculated and ensemble averages are presented as a normative database for comparison purposes. Ankle joint powers are shown to be overestimated when using a traditional single-segment foot model, as substantial angular velocities are attributed to the mid-tarsal joint. Power transfer is apparent between the 1st metatarsophalangeal and mid-tarsal joints in terminal stance/pre-swing. While the measurement approach presented here is limited to clinical populations with only minimal impairments, some elements of the model can also be incorporated into routine clinical gait analysis. Copyright © 2011 Elsevier B.V. All rights reserved.

Analysis of thermo-chemical nonequilibrium models for carbon dioxide flows

NASA Technical Reports Server (NTRS)

Rock, Stacey G.; Candler, Graham V.; Hornung, Hans G.

1992-01-01

The aerothermodynamics of thermochemical nonequilibrium carbon dioxide flows is studied. The chemical kinetics models of McKenzie and Park are implemented in separate three-dimensional computational fluid dynamics codes. The codes incorporate a five-species gas model characterized by a translational-rotational and a vibrational temperature. Solutions are obtained for flow over finite length elliptical and circular cylinders. The computed flowfields are then employed to calculate Mach-Zehnder interferograms for comparison with experimental data. The accuracy of the chemical kinetics models is determined through this comparison. Also, the methodology of the three-dimensional thermochemical nonequilibrium code is verified by the reproduction of the experiments.

Development of kinetic analysis technique for PACS management and a screening examination in dynamic radiography

NASA Astrophysics Data System (ADS)

Tsuchiya, Yuichiro; Kodera, Yoshie

2005-04-01

The purpose of this study was to develop of kinetic analysis method for PACS management and computer-aided diagnosis. We obtained dynamic chest radiographs (512x512, 8bit, 4fps, and 1344x1344, 12bit, 3fps) of five healthy volunteers during respiration using an I.I. system twice, and one healthy volunteer using dynamic FPD system. Optical flows of images were obtained using customized block matching technique, and were divided into a direction, and transformed into the RGB color. Density was determined by the sum pixel length of movement during respiration phase. The made new static image was defined as the "kinetic map". The evaluation of patient's collation was performed with a template matching to the three colors. The same person's each correlation value and similar-coefficient which is defined in this study were statistically significant high (P<0.01). We used the artificial neural network (ANN) for the judgment of the same person. Five volunteers were divided into two groups, three volunteers and two volunteers became a training signal and unknown signal. Correlation value and similar-coefficient was used for the input signal, and ANN was designed so that the same person's probability might be outputted. The average of the specificity of the unknown signal obtained 98.2%. The kinetic map including the imitation tumor was used for the simulation. The tumor was detected by temporal subtraction of kinetic map, and then the superior sensitivity was obtained. Our analysis method was useful in risk management and computer-aided diagnosis.

Combustor kinetic energy efficiency analysis of the hypersonic research engine data

NASA Astrophysics Data System (ADS)

Hoose, K. V.

1993-11-01

A one-dimensional method for measuring combustor performance is needed to facilitate design and development scramjet engines. A one-dimensional kinetic energy efficiency method is used for measuring inlet and nozzle performance. The objective of this investigation was to assess the use of kinetic energy efficiency as an indicator for scramjet combustor performance. A combustor kinetic energy efficiency analysis was performed on the Hypersonic Research Engine (HRE) data. The HRE data was chosen for this analysis due to its thorough documentation and availability. The combustor, inlet, and nozzle kinetic energy efficiency values were utilized to determine an overall engine kinetic energy efficiency. Finally, a kinetic energy effectiveness method was developed to eliminate thermochemical losses from the combustion of fuel and air. All calculated values exhibit consistency over the flight speed range. Effects from fuel injection, altitude, angle of attack, subsonic-supersonic combustion transition, and inlet spike position are shown and discussed. The results of analyzing the HRE data indicate that the kinetic energy efficiency method is effective as a measure of scramjet combustor performance.

Permeability and kinetic coefficients for mesoscale BCF surface step dynamics: Discrete two-dimensional deposition-diffusion equation analysis

DOE PAGES

Zhao, Renjie; Evans, James W.; Oliveira, Tiago J.

2016-04-08

Here, a discrete version of deposition-diffusion equations appropriate for description of step flow on a vicinal surface is analyzed for a two-dimensional grid of adsorption sites representing the stepped surface and explicitly incorporating kinks along the step edges. Model energetics and kinetics appropriately account for binding of adatoms at steps and kinks, distinct terrace and edge diffusion rates, and possible additional barriers for attachment to steps. Analysis of adatom attachment fluxes as well as limiting values of adatom densities at step edges for nonuniform deposition scenarios allows determination of both permeability and kinetic coefficients. Behavior of these quantities is assessedmore » as a function of key system parameters including kink density, step attachment barriers, and the step edge diffusion rate.« less

Permeability and kinetic coefficients for mesoscale BCF surface step dynamics: Discrete two-dimensional deposition-diffusion equation analysis

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

Zhao, Renjie; Evans, James W.; Oliveira, Tiago J.

Here, a discrete version of deposition-diffusion equations appropriate for description of step flow on a vicinal surface is analyzed for a two-dimensional grid of adsorption sites representing the stepped surface and explicitly incorporating kinks along the step edges. Model energetics and kinetics appropriately account for binding of adatoms at steps and kinks, distinct terrace and edge diffusion rates, and possible additional barriers for attachment to steps. Analysis of adatom attachment fluxes as well as limiting values of adatom densities at step edges for nonuniform deposition scenarios allows determination of both permeability and kinetic coefficients. Behavior of these quantities is assessedmore » as a function of key system parameters including kink density, step attachment barriers, and the step edge diffusion rate.« less

Method and apparatus for rapid stopping and starting of a thermoacoustic engine

DOEpatents

Swift, Gregory W.; Backhaus, Scott N.; Gardner, David L.

2003-11-11

A thermoacoustic engine-driven system with a hot heat exchanger, a regenerator or stack, and an ambient heat exchanger includes a side branch load for rapid stopping and starting, the side branch load being attached to a location in the thermoacoustic system having a nonzero oscillating pressure and comprising a valve, a flow resistor, and a tank connected in series. The system is rapidly stopped simply by opening the valve and rapidly started by closing the valve.

Comparative analysis of the folding dynamics and kinetics of an engineered knotted protein and its variants derived from HP0242 of Helicobacter pylori

NASA Astrophysics Data System (ADS)

Wang, Liang-Wei; Liu, Yu-Nan; Lyu, Ping-Chiang; Jackson, Sophie E.; Hsu, Shang-Te Danny

2015-09-01

Understanding the mechanism by which a polypeptide chain thread itself spontaneously to attain a knotted conformation has been a major challenge in the field of protein folding. HP0242 is a homodimeric protein from Helicobacter pylori with intertwined helices to form a unique pseudo-knotted folding topology. A tandem HP0242 repeat has been constructed to become the first engineered trefoil-knotted protein. Its small size renders it a model system for computational analyses to examine its folding and knotting pathways. Here we report a multi-parametric study on the folding stability and kinetics of a library of HP0242 variants, including the trefoil-knotted tandem HP0242 repeat, using far-UV circular dichroism and fluorescence spectroscopy. Equilibrium chemical denaturation of HP0242 variants shows the presence of highly populated dimeric and structurally heterogeneous folding intermediates. Such equilibrium folding intermediates retain significant amount of helical structures except those at the N- and C-terminal regions in the native structure. Stopped-flow fluorescence measurements of HP0242 variants show that spontaneous refolding into knotted structures can be achieved within seconds, which is several orders of magnitude faster than previously observed for other knotted proteins. Nevertheless, the complex chevron plots indicate that HP0242 variants are prone to misfold into kinetic traps, leading to severely rolled-over refolding arms. The experimental observations are in general agreement with the previously reported molecular dynamics simulations. Based on our results, kinetic folding pathways are proposed to qualitatively describe the complex folding processes of HP0242 variants.

LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 3: Illustrative test problems

NASA Technical Reports Server (NTRS)

Bittker, David A.; Radhakrishnan, Krishnan

1994-01-01

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 3 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 3 explains the kinetics and kinetics-plus-sensitivity analysis problems supplied with LSENS and presents sample results. These problems illustrate the various capabilities of, and reaction models that can be solved by, the code and may provide a convenient starting point for the user to construct the problem data file required to execute LSENS. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

Target-responsive DNA hydrogel mediated "stop-flow" microfluidic paper-based analytic device for rapid, portable and visual detection of multiple targets.

PubMed

Wei, Xiaofeng; Tian, Tian; Jia, Shasha; Zhu, Zhi; Ma, Yanli; Sun, Jianjun; Lin, Zhenyu; Yang, Chaoyong James

2015-04-21

A versatile point-of-care assay platform was developed for simultaneous detection of multiple targets based on a microfluidic paper-based analytic device (μPAD) using a target-responsive hydrogel to mediate fluidic flow and signal readout. An aptamer-cross-linked hydrogel was used as a target-responsive flow regulator in the μPAD. In the absence of a target, the hydrogel is formed in the flow channel, stopping the flow in the μPAD and preventing the colored indicator from traveling to the final observation spot, thus yielding a "signal off" readout. In contrast, in the presence of a target, no hydrogel is formed because of the preferential interaction of target and aptamer. This allows free fluidic flow in the μPAD, carrying the indicator to the observation spot and producing a "signal on" readout. The device is inexpensive to fabricate, easy to use, and disposable after detection. Testing results can be obtained within 6 min by the naked eye via a simple loading operation without the need for any auxiliary equipment. Multiple targets, including cocaine, adenosine, and Pb(2+), can be detected simultaneously, even in complex biological matrices such as urine. The reported method offers simple, low cost, rapid, user-friendly, point-of-care testing, which will be useful in many applications.

Analysis of Crystallization Kinetics

NASA Technical Reports Server (NTRS)

Kelton, Kenneth F.

1997-01-01

A realistic computer model for polymorphic crystallization (i.e., initial and final phases with identical compositions), which includes time-dependent nucleation and cluster-size-dependent growth rates, is developed and tested by fits to experimental data. Model calculations are used to assess the validity of two of the more common approaches for the analysis of crystallization data. The effects of particle size on transformation kinetics, important for the crystallization of many systems of limited dimension including thin films, fine powders, and nanoparticles, are examined.

Kinetics of devolatilization and oxidation of a pulverized biomass in an entrained flow reactor under realistic combustion conditions

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

Jimenez, Santiago; Remacha, Pilar; Ballester, Javier

2008-03-15

In this paper the results of a complete set of devolatilization and combustion experiments performed with pulverized ({proportional_to}500 {mu}m) biomass in an entrained flow reactor under realistic combustion conditions are presented. The data obtained are used to derive the kinetic parameters that best fit the observed behaviors, according to a simple model of particle combustion (one-step devolatilization, apparent oxidation kinetics, thermally thin particles). The model is found to adequately reproduce the experimental trends regarding both volatile release and char oxidation rates for the range of particle sizes and combustion conditions explored. The experimental and numerical procedures, similar to those recentlymore » proposed for the combustion of pulverized coal [J. Ballester, S. Jimenez, Combust. Flame 142 (2005) 210-222], have been designed to derive the parameters required for the analysis of biomass combustion in practical pulverized fuel configurations and allow a reliable characterization of any finely pulverized biomass. Additionally, the results of a limited study on the release rate of nitrogen from the biomass particle along combustion are shown. (author)« less

Stop/Start: Overview

Science.gov Websites

1 Stop/Start vehicles use a combination of regenerative and conventional friction braking to slow , The gasoline engine in a start-stop hybrid is much like those in conventional vehicles. Unlike other hybrids that use an electric motor to help power the vehicle, the engine in a start-stop hybrid is usually

Stop the top background of the stop search

NASA Astrophysics Data System (ADS)

Bai, Yang; Cheng, Hsin-Chia; Gallicchio, Jason; Gu, Jiayin

2012-07-01

The main background for the supersymmetric stop direct production search comes from Standard Model toverline t events. For the single-lepton search channel, we introduce a few kinematic variables to further suppress this background by focusing on its dileptonic and semileptonic topologies. All are defined to have end points in the background, but not signal distributions. They can substantially improve the stop signal significance and mass reach when combined with traditional kinematic variables such as the total missing transverse energy. Among them, our variable M_{{T2}}^W hasthebestoverallperformancebecause it uses all available kinematic information, including the on-shell mass of both W's. We see 20 %-30 % improvement on the discovery significance and estimate that the 8 TeV LHC run with 20 fb-1 of data would be able to reach an exclusion limit of 650-700 GeV for direct stop production, as long as the stop decays dominantly to the top quark and a light stable neutralino. Most of the mass range required for the supersymmetric solution of the naturalness problem in the standard scenario can be covered.

Mitigating the Hook Effect in Lateral Flow Sandwich Immunoassays Using Real-Time Reaction Kinetics.

PubMed

Rey, Elizabeth G; O'Dell, Dakota; Mehta, Saurabh; Erickson, David

2017-05-02

The quantification of analyte concentrations using lateral flow assays is a low-cost and user-friendly alternative to traditional lab-based assays. However, sandwich-type immunoassays are often limited by the high-dose hook effect, which causes falsely low results when analytes are present at very high concentrations. In this paper, we present a reaction kinetics-based technique that solves this problem, significantly increasing the dynamic range of these devices. With the use of a traditional sandwich lateral flow immunoassay, a portable imaging device, and a mobile interface, we demonstrate the technique by quantifying C-reactive protein concentrations in human serum over a large portion of the physiological range. The technique could be applied to any hook effect-limited sandwich lateral flow assay and has a high level of accuracy even in the hook effect range.

Micro- and Nano-scale Diffusion Domains Acting as Kinetic Controls for U(VI) Release to the Hanford 300-Area Aquifer

NASA Astrophysics Data System (ADS)

Stoliker, D. L.; Hay, M. B.; Davis, J. A.; Zachara, J. M.

2008-12-01

The 300-Area of the Hanford reservation, a cold-war era nuclear processing facility, is plagued by long-term elevated concentrations of U(VI) in the underlying aquifer. While the sediment U(VI) concentration is relatively low, it continues to act as a source and sink for the contaminant, allowing for persistent groundwater concentrations well above the maximum contamination limit (MCL). Simple Kd modeling of the attenuation of U(VI) in the aquifer predicted that groundwater U(VI) concentrations would decrease to below the drinking water standard by the year 2002. However, grain-scale morphology of the aquifer material suggests that intra-grain flow paths and mineral coatings, in which sorption complexes and precipitates formed over years of waste disposal, provide a significant kinetic constraint that slows groundwater flushing of the sediments. In order to quantify the impact of diffusion kinetics on the release of U(VI), high-resolution, non-reactive tracer studies were conducted on vadose zone sediments in both column and batch reactors. Systems were equilibrated for long time scales with tritated artificial groundwater and then flushed with flow and stop-flow events included for columns. Previously collected U(VI) release data from batch dissolution/desorption studies is compared with tritium tracer diffusion kinetics as well as porosimetry and detailed microscopy characterization. The micro-scale and nano-scale diffusion regimes, including intra-granular regions as well as mineral coatings, represent a significant potential long-term source of contaminant U(VI). Understanding the physical kinetic limitations coupled with the complex chemistry of U(VI) sorption processes within natural systems is an important step forward in providing information to strengthen field-scale reactive transport simulations.

Kinetics and Thermodynamics of DNA Processing by Wild Type DNA-Glycosylase Endo III and Its Catalytically Inactive Mutant Forms.

PubMed

Kladova, Olga A; Krasnoperov, Lev N; Kuznetsov, Nikita A; Fedorova, Olga S

2018-03-30

Endonuclease III (Endo III or Nth) is one of the key enzymes responsible for initiating the base excision repair of oxidized or reduced pyrimidine bases in DNA. In this study, a thermodynamic analysis of structural rearrangements of the specific and nonspecific DNA-duplexes during their interaction with Endo III is performed based on stopped-flow kinetic data. 1,3-diaza-2-oxophenoxazine (tC O ), a fluorescent analog of the natural nucleobase cytosine, is used to record multistep DNA binding and lesion recognition within a temperature range (5-37 °C). Standard Gibbs energy, enthalpy, and entropy of the specific steps are derived from kinetic data using Van't Hoff plots. The data suggest that enthalpy-driven exothermic 5,6-dihydrouracil (DHU) recognition and desolvation-accompanied entropy-driven adjustment of the enzyme-substrate complex into a catalytically active state play equally important parts in the overall process. The roles of catalytically significant amino acids Lys120 and Asp138 in the DNA lesion recognition and catalysis are identified. Lys120 participates not only in the catalytic steps but also in the processes of local duplex distortion, whereas substitution Asp138Ala leads to a complete loss of the ability of Endo III to distort a DNA double chain during enzyme-DNA complex formation.

An analysis of artificial viscosity effects on reacting flows using a spectral multi-domain technique

NASA Technical Reports Server (NTRS)

Macaraeg, M. G.; Streett, C. L.; Hussaini, M. Y.

1987-01-01

Standard techniques used to model chemically-reacting flows require an artificial viscosity for stability in the presence of strong shocks. The resulting shock is smeared over at least three computational cells, so that the thickness of the shock is dictated by the structure of the overall mesh and not the shock physics. A gas passing through a strong shock is thrown into a nonequilibrium state and subsequently relaxes down over some finite distance to an equilibrium end state. The artificial smearing of the shock envelops this relaxation zone which causes the chemical kinetics of the flow to be altered. A method is presented which can investigate these issues by following the chemical kinetics and flow kinetics of a gas passing through a fully resolved shock wave at hypersonic Mach numbers. A nonequilibrium chemistry model for air is incorporated into a spectral multidomain Navier-Stokes solution method. Since no artificial viscosity is needed for stability of the multidomain technique, the precise effect of this artifice on the chemical kinetics and relevant flow features can be determined.

LSENS, a general chemical kinetics and sensitivity analysis code for gas-phase reactions: User's guide

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan; Bittker, David A.

1993-01-01

A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS, are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include static system, steady, one-dimensional, inviscid flow, shock initiated reaction, and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method, which works efficiently for the extremes of very fast and very slow reaction, is used for solving the 'stiff' differential equation systems that arise in chemical kinetics. For static reactions, sensitivity coefficients of all dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters can be computed. This paper presents descriptions of the code and its usage, and includes several illustrative example problems.

Analysis and Prediction of Weather Impacted Ground Stop Operations

NASA Technical Reports Server (NTRS)

Wang, Yao Xun

2014-01-01

When the air traffic demand is expected to exceed the available airport's capacity for a short period of time, Ground Stop (GS) operations are implemented by Federal Aviation Administration (FAA) Traffic Flow Management (TFM). The GS requires departing aircraft meeting specific criteria to remain on the ground to achieve reduced demands at the constrained destination airport until the end of the GS. This paper provides a high-level overview of the statistical distributions as well as causal factors for the GSs at the major airports in the United States. The GS's character, the weather impact on GSs, GS variations with delays, and the interaction between GSs and Ground Delay Programs (GDPs) at Newark Liberty International Airport (EWR) are investigated. The machine learning methods are used to generate classification models that map the historical airport weather forecast, schedule traffic, and other airport conditions to implemented GS/GDP operations and the models are evaluated using the cross-validations. This modeling approach produced promising results as it yielded an 85% overall classification accuracy to distinguish the implemented GS days from the normal days without GS and GDP operations and a 71% accuracy to differentiate the GS and GDP implemented days from the GDP only days.

Microwave treatment of dairy manure for resource recovery: Reaction kinetics and energy analysis.

PubMed

Srinivasan, Asha; Liao, Ping H; Lo, Kwang V

2016-12-01

A newly designed continuous-flow 915 MHz microwave wastewater treatment system was used to demonstrate the effectiveness of the microwave enhanced advanced oxidation process (MW/H 2 O 2 -AOP) for treating dairy manure. After the treatment, about 84% of total phosphorus and 45% of total chemical oxygen demand were solubilized with the highest H 2 O 2 dosage (0.4% H 2 O 2 per %TS). The reaction kinetics of soluble chemical oxygen demand revealed activation energy to be in the range of 5-22 kJ mole -1 . The energy required by the processes was approximately 0.16 kWh per liter of dairy manure heated. A higher H 2 O 2 dosage used in the system had a better process performance in terms of solids solubilization, reaction kinetics, and energy consumption. Cost-benefit analysis for a farm-scale MW/H 2 O 2 -AOP treatment system was also presented. The results obtained from this study would provide the basic knowledge for designing an effective farm-scale dairy manure treatment system.

Depression - stopping your medicines

MedlinePlus

... gov/ency/patientinstructions/000570.htm Depression - stopping your medicines To use the sharing features on this page, ... no longer taking them. Before You Stop Your Medicine Stopping your medicine may be the right choice ...

Derringer desirability and kinetic plot LC-column comparison approach for MS-compatible lipopeptide analysis.

PubMed

D'Hondt, Matthias; Verbeke, Frederick; Stalmans, Sofie; Gevaert, Bert; Wynendaele, Evelien; De Spiegeleer, Bart

2014-06-01

Lipopeptides are currently re-emerging as an interesting subgroup in the peptide research field, having historical applications as antibacterial and antifungal agents and new potential applications as antiviral, antitumor, immune-modulating and cell-penetrating compounds. However, due to their specific structure, chromatographic analysis often requires special buffer systems or the use of trifluoroacetic acid, limiting mass spectrometry detection. Therefore, we used a traditional aqueous/acetonitrile based gradient system, containing 0.1% (m/v) formic acid, to separate four pharmaceutically relevant lipopeptides (polymyxin B 1 , caspofungin, daptomycin and gramicidin A 1 ), which were selected based upon hierarchical cluster analysis (HCA) and principal component analysis (PCA). In total, the performance of four different C18 columns, including one UPLC column, were evaluated using two parallel approaches. First, a Derringer desirability function was used, whereby six single and multiple chromatographic response values were rescaled into one overall D -value per column. Using this approach, the YMC Pack Pro C18 column was ranked as the best column for general MS-compatible lipopeptide separation. Secondly, the kinetic plot approach was used to compare the different columns at different flow rate ranges. As the optimal kinetic column performance is obtained at its maximal pressure, the length elongation factor λ ( P max / P exp ) was used to transform the obtained experimental data (retention times and peak capacities) and construct kinetic performance limit (KPL) curves, allowing a direct visual and unbiased comparison of the selected columns, whereby the YMC Triart C18 UPLC and ACE C18 columns performed as best. Finally, differences in column performance and the (dis)advantages of both approaches are discussed.

Experimental and Numerical Characterization of a Pulsed Supersonic Uniform Flow for Kinetics and Spectroscopy

NASA Astrophysics Data System (ADS)

Suas-David, Nicolas; Thawoos, Shameemah; Broderick, Bernadette M.; Suits, Arthur

2017-06-01

The current CPUF (Chirped Pulse Uniform Flow) and the new UF-CRDS (Uniform Flow Cavity Ring-Down Spectroscopy) setups relie mostly on the production of a good quality supersonic uniform flow. A supersonic uniform flow is produced by expanding a gas through a Laval nozzle - similar to the nozzles used in aeronautics - linked to a vacuum chamber. The expansion is characterized by an isentropic core where constant very low kinetic temperature (down to 20K) and constant density are observed. The relatively large diameter of the isentropic core associated with homogeneous thermodynamic conditions makes it a relevant tool for low temperature spectroscopy. On the other hand, the length along the axis of the flow of this core (could be longer than 50cm) allows kinetic studies which is one of the main interest of this setup (CRESU technique. The formation of a uniform flow requires an extreme accuracy in the design of the shape of the nozzle for a set of defined temperature/density. The design is based on a Matlab program which retrieves the shape of the isentropic core according to the method of characteristics prior to calculate the thickness of the boundary layer. Two different approaches are used to test the viability of a new nozzle derived from the program. First, a computational fluid dynamic software (OpenFOAM) models the distribution of the thermodynamic properties of the expansion. Then, fabricated nozzles using 3-D printing are tested based on Pitot measurements and spectroscopic analyses. I will present comparisons of simulation and measured performance for a range of nozzles. We will see how the high level of accuracy of numerical simulations provides a deeper knowledge of the experimental conditions. J. M. Oldham, C. Abeysekera, J. Joalland, L. N. Zack, K. Prozument, I. R. Sims, G. Barrat Park, R. W. Filed and A. G. Suits, J. Chem. Phys. 141, 154202, (2014). I. Sims, J. L. Queffelec, A. Defrance, C. Rebrion-Rowe, D. Travers, P. Bocherel, B. Rowe, I. W. Smith

Pulling out all the stops: searching for RPV SUSY with stop-jets

NASA Astrophysics Data System (ADS)

Bai, Yang; Katz, Andrey; Tweedie, Brock

2014-01-01

If the lighter stop eigenstate decays directly to two jets via baryonic R-parity violation, it could have escaped existing LHC and Tevatron searches in four-jet events, even for masses as small as 100 GeV. In order to recover sensitivity in the face of increasingly harsh trigger requirements at the LHC, we propose a search for stop pairs in the highly-boosted regime, using the approaches of jet substructure. We demonstrate that the four-jet triggers can be completely bypassed by using inclusive jet- H T triggers, and that the resulting QCD continuum background can be processed by substructure methods into a featureless spectrum suitable for a data-driven bump-hunt down to 100 GeV. We estimate that the LHC 8 TeV run is sensitive to 100 GeV stops with decays of any flavor at better than 5σ-level, and could place exclusions up to 300 GeV or higher. Assuming Minimal Flavor Violation and running a b-tagged analysis, exclusion reach may extend up to nearly 400 GeV. Longer-term, the 14 TeV LHC at 300 fb-1 could extend these mass limits by a factor of two, while continuing to improve sensitivity in the 100 GeV region.

Effect of Weight Transfer on a Vehicle's Stopping Distance.

ERIC Educational Resources Information Center

Whitmire, Daniel P.; Alleman, Timothy J.

1979-01-01

An analysis of the minimum stopping distance problem is presented taking into account the effect of weight transfer on nonskidding vehicles and front- or rear-wheels-skidding vehicles. Expressions for the minimum stopping distances are given in terms of vehicle geometry and the coefficients of friction. (Author/BB)

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

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

Zaleski, Daniel P.; Harding, Lawrence B.; Klippenstein, Stephen J.

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 energizedmore » 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.« less

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

DOE PAGES

Zaleski, Daniel P.; Harding, Lawrence B.; Klippenstein, Stephen J.; ...

2017-12-01

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 energizedmore » 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.« less

Inseparability of Go and Stop in Inhibitory Control: Go Stimulus Discriminability Affects Stopping Behavior.

PubMed

Ma, Ning; Yu, Angela J

2016-01-01

Inhibitory control, the ability to stop or modify preplanned actions under changing task conditions, is an important component of cognitive functions. Two lines of models of inhibitory control have previously been proposed for human response in the classical stop-signal task, in which subjects must inhibit a default go response upon presentation of an infrequent stop signal: (1) the race model, which posits two independent go and stop processes that race to determine the behavioral outcome, go or stop; and (2) an optimal decision-making model, which posits that observers decides whether and when to go based on continually (Bayesian) updated information about both the go and stop stimuli. In this work, we probe the relationship between go and stop processing by explicitly manipulating the discrimination difficulty of the go stimulus. While the race model assumes the go and stop processes are independent, and therefore go stimulus discriminability should not affect the stop stimulus processing, we simulate the optimal model to show that it predicts harder go discrimination should result in longer go reaction time (RT), lower stop error rate, as well as faster stop-signal RT. We then present novel behavioral data that validate these model predictions. The results thus favor a fundamentally inseparable account of go and stop processing, in a manner consistent with the optimal model, and contradicting the independence assumption of the race model. More broadly, our findings contribute to the growing evidence that the computations underlying inhibitory control are systematically modulated by cognitive influences in a Bayes-optimal manner, thus opening new avenues for interpreting neural responses underlying inhibitory control.

The dependence of chlorine decay and DBP formation kinetics on pipe flow properties in drinking water distribution.

PubMed

Zhao, Yingying; Yang, Y Jeffrey; Shao, Yu; Neal, Jill; Zhang, Tuqiao

2018-04-27

Simultaneous chlorine decay and disinfection byproduct (DBP) formation have been discussed extensively because of their regulatory and operational significance. This study further examines chemical reaction variability in the water quality changes under various hydrodynamic conditions in drinking water distribution. The variations of kinetic constant for overall chlorine decay (k E ) and trihalomethane (THM) formation were determined under stagnant to turbulent flows using three devices of different wall demand and two types of natural organic matters (NOM) in water. The results from the comparative experiments and modeling analyses show the relative importance of wall demand (k w ), DBP-forming chlorine decay (k D ), and other bulk demand (k b ' ) for pipe flows of Re = 0-52500. It is found that chlorine reactivity of virgin NOM is the overriding factor. Secondly, for tap water NOM of lower reactivity, pipe flow properties (Re or u) can significantly affect k E , the THM yield (T), formation potential (Y), and the time to reach the maximum THM concentration (t max ) through their influence on kinetic ratio k D (k b ' +k w ). These observations, corroborating with turbidity variations during experiments, cannot be explained alone by chlorine dispersion to and from the pipe wall. Mass exchanges through deposition and scale detachment, most likely being flow-dependent, may have contributed to the overall chlorine decay and DBP formation rates. Thus for the simultaneous occurrence of chlorine decay and DBP formation, model considerations of NOM reactivity, pipe types (wall demand), flow hydraulics, and their interactions are essential. Copyright © 2018 Elsevier Ltd. All rights reserved.

A numerical investigation of the scale-up effects on flow, heat transfer, and kinetics processes of FCC units.

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

Chang, S. L.

1998-08-25

Fluid Catalytic Cracking (FCC) technology is the most important process used by the refinery industry to convert crude oil to valuable lighter products such as gasoline. Process development is generally very time consuming especially when a small pilot unit is being scaled-up to a large commercial unit because of the lack of information to aide in the design of scaled-up units. Such information can now be obtained by analysis based on the pilot scale measurements and computer simulation that includes controlling physics of the FCC system. A Computational fluid dynamic (CFD) code, ICRKFLO, has been developed at Argonne National Laboratorymore » (ANL) and has been successfully applied to the simulation of catalytic petroleum cracking risers. It employs hybrid hydrodynamic-chemical kinetic coupling techniques, enabling the analysis of an FCC unit with complex chemical reaction sets containing tens or hundreds of subspecies. The code has been continuously validated based on pilot-scale experimental data. It is now being used to investigate the effects of scaled-up FCC units. Among FCC operating conditions, the feed injection conditions are found to have a strong impact on the product yields of scaled-up FCC units. The feed injection conditions appear to affect flow and heat transfer patterns and the interaction of hydrodynamics and cracking kinetics causes the product yields to change accordingly.« less

From kinetic-structure analysis to engineering crystalline fiber networks in soft materials.

PubMed

Wang, Rong-Yao; Wang, Peng; Li, Jing-Liang; Yuan, Bing; Liu, Yu; Li, Li; Liu, Xiang-Yang

2013-03-07

Understanding the role of kinetics in fiber network microstructure formation is of considerable importance in engineering gel materials to achieve their optimized performances/functionalities. In this work, we present a new approach for kinetic-structure analysis for fibrous gel materials. In this method, kinetic data is acquired using a rheology technique and is analyzed in terms of an extended Dickinson model in which the scaling behaviors of dynamic rheological properties in the gelation process are taken into account. It enables us to extract the structural parameter, i.e. the fractal dimension, of a fibrous gel from the dynamic rheological measurement of the gelation process, and to establish the kinetic-structure relationship suitable for both dilute and concentrated gelling systems. In comparison to the fractal analysis method reported in a previous study, our method is advantageous due to its general validity for a wide range of fractal structures of fibrous gels, from a highly compact network of the spherulitic domains to an open fibrous network structure. With such a kinetic-structure analysis, we can gain a quantitative understanding of the role of kinetic control in engineering the microstructure of the fiber network in gel materials.

Analysis of turbulent transport and mixing in transitional Rayleigh–Taylor unstable flow using direct numerical simulation data

DOE PAGES

Schilling, Oleg; Mueschke, Nicholas J.

2010-10-18

Data from a 1152X760X1280 direct numerical simulation (DNS) of a transitional Rayleigh-Taylor mixing layer modeled after a small Atwood number water channel experiment is used to comprehensively investigate the structure of mean and turbulent transport and mixing. The simulation had physical parameters and initial conditions approximating those in the experiment. The budgets of the mean vertical momentum, heavy-fluid mass fraction, turbulent kinetic energy, turbulent kinetic energy dissipation rate, heavy-fluid mass fraction variance, and heavy-fluid mass fraction variance dissipation rate equations are constructed using Reynolds averaging applied to the DNS data. The relative importance of mean and turbulent production, turbulent dissipationmore » and destruction, and turbulent transport are investigated as a function of Reynolds number and across the mixing layer to provide insight into the flow dynamics not presently available from experiments. The analysis of the budgets supports the assumption for small Atwood number, Rayleigh/Taylor driven flows that the principal transport mechanisms are buoyancy production, turbulent production, turbulent dissipation, and turbulent diffusion (shear and mean field production are negligible). As the Reynolds number increases, the turbulent production in the turbulent kinetic energy dissipation rate equation becomes the dominant production term, while the buoyancy production plateaus. Distinctions between momentum and scalar transport are also noted, where the turbulent kinetic energy and its dissipation rate both grow in time and are peaked near the center plane of the mixing layer, while the heavy-fluid mass fraction variance and its dissipation rate initially grow and then begin to decrease as mixing progresses and reduces density fluctuations. All terms in the transport equations generally grow or decay, with no qualitative change in their profile, except for the pressure flux contribution to the total turbulent kinetic

Development of patient collation system by kinetic analysis for chest dynamic radiogram with flat panel detector

NASA Astrophysics Data System (ADS)

Tsuchiya, Yuichiro; Kodera, Yoshie

2006-03-01

In the picture archiving and communication system (PACS) environment, it is important that all images be stored in the correct location. However, if information such as the patient's name or identification number has been entered incorrectly, it is difficult to notice the error. The present study was performed to develop a system of patient collation automatically for dynamic radiogram examination by a kinetic analysis, and to evaluate the performance of the system. Dynamic chest radiographs during respiration were obtained by using a modified flat panel detector system. Our computer algorithm developed in this study was consisted of two main procedures, kinetic map imaging processing, and collation processing. Kinetic map processing is a new algorithm to visualize a movement for dynamic radiography; direction classification of optical flows and intensity-density transformation technique was performed. Collation processing consisted of analysis with an artificial neural network (ANN) and discrimination for Mahalanobis' generalized distance, those procedures were performed to evaluate a similarity of combination for the same person. Finally, we investigated the performance of our system using eight healthy volunteers' radiographs. The performance was shown as a sensitivity and specificity. The sensitivity and specificity for our system were shown 100% and 100%, respectively. This result indicated that our system has excellent performance for recognition of a patient. Our system will be useful in PACS management for dynamic chest radiography.

Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State

PubMed Central

Martí-Centelles, Vicente; Burguete, M. Isabel; Luis, Santiago V.

2012-01-01

Several kinetic models for the macrocyclization of a C2 pseudopeptide with a dihalide through a SN2 reaction have been developed. These models not only focus on the kinetic analysis of the main macrocyclization reaction, but also consider the competitive oligomerization/polymerization processes yielding undesired oligomeric/polymeric byproducts. The effect of anions has also been included in the kinetic models, as they can act as catalytic templates in the transition state reducing and stabilizing the transition state. The corresponding differential equation systems for each kinetic model can be solved numerically. Through a comprehensive analysis of these results, it is possible to obtain a better understanding of the different parameters that are involved in the macrocyclization reaction mechanism and to develop strategies for the optimization of the desired processes. PMID:22666148

Modeling Solar Wind Flow with the Multi-Scale Fluid-Kinetic Simulation Suite

DOE PAGES

Pogorelov, N.V.; Borovikov, S. N.; Bedford, M. C.; ...

2013-04-01

Multi-Scale Fluid-Kinetic Simulation Suite (MS-FLUKSS) is a package of numerical codes capable of performing adaptive mesh refinement simulations of complex plasma flows in the presence of discontinuities and charge exchange between ions and neutral atoms. The flow of the ionized component is described with the ideal MHD equations, while the transport of atoms is governed either by the Boltzmann equation or multiple Euler gas dynamics equations. We have enhanced the code with additional physical treatments for the transport of turbulence and acceleration of pickup ions in the interplanetary space and at the termination shock. In this article, we present themore » results of our numerical simulation of the solar wind (SW) interaction with the local interstellar medium (LISM) in different time-dependent and stationary formulations. Numerical results are compared with the Ulysses, Voyager, and OMNI observations. Finally, the SW boundary conditions are derived from in-situ spacecraft measurements and remote observations.« less

Flow-injection analysis of catecholamine secretion from bovine adrenal medulla cells on microbeads.

PubMed

Herrera, M; Kao, L S; Curran, D J; Westhead, E W

1985-01-01

Bovine adrenal medullary cells have been cultured on microbeads which are placed in a low-volume flow system for measurements of stimulation-response parameters. Electronically controlled stream switching allows stimulation of cells with pulse lengths from 1 s to many minutes; pulses may be repeated indefinitely. Catecholamines secreted are detected by an electrochemical detector downstream from the cells. This flow-injection analysis technique provides a new level of sensitivity and precision for measurement of kinetic parameters of secretion. A manual injection valve allows stimulation by higher levels of stimulant in the presence of constant low levels of stimulant. Such experiments show interesting differences between the effects of K+ and acetylcholine on cells partially desensitized to acetylcholine.

Biodrying of sewage sludge: kinetics of volatile solids degradation under different initial moisture contents and air-flow rates.

PubMed

Villegas, Manuel; Huiliñir, Cesar

2014-12-01

This study focuses on the kinetics of the biodegradation of volatile solids (VS) of sewage sludge for biodrying under different initial moisture contents (Mc) and air-flow rates (AFR). For the study, a 3(2) factorial design, whose factors were AFR (1, 2 or 3L/minkgTS) and initial Mc (59%, 68% and 78% w.b.), was used. Using seven kinetic models and a nonlinear regression method, kinetic parameters were estimated and the models were analyzed with two statistical indicators. Initial Mc of around 68% increases the temperature matrix and VS consumption, with higher moisture removal at lower initial Mc values. Lower AFRs gave higher matrix temperatures and VS consumption, while higher AFRs increased water removal. The kinetic models proposed successfully simulate VS biodegradation, with root mean square error (RMSE) between 0.007929 and 0.02744, and they can be used as a tool for satisfactory prediction of VS in biodrying. Copyright © 2014 Elsevier Ltd. All rights reserved.

Multi-pumping flow system for the determination of boron in eye drops, drinking water and ocean water.

PubMed

González, Pablo; Sixto, Alexandra; Knochen, Moisés

2017-05-01

A novel automated method for the determination of boron based on the use of pulsed flows was developed and applied to the determination of this element in samples of tap water, ocean water and eye drops. The method was implemented by means of a multi-pumping system consisting of three solenoid micropumps and a photometric detector and exploits the reaction of azomethine-H in the presence of boron. The system runs under control of an open-source microcontroller. The main operational parameters were optimized. Given the particular kinetics of the reaction, a stopped-flow period (1 or 5min) was included to allow for color development. The method presents linearity in the range 0.35-3.0mgL -1 , good precision (s r <3%), and detection and quantification limits of 0.10 and 0.35mgL -1 respectively. Samples of tap water or eye drops could be successfully analyzed employing a 1-minute stop time, providing a maximum sampling frequency of 32 samples h -1 . In order to overcome matrix effect caused by the high saline concentration, ocean water samples required stop times of 5min, providing a sampling frequency of 10 samples h -1 . Recoveries of 102% (eye drops), 94% (drinking water) and 93% (ocean water) were obtained. The method was considered accurate and fit for the purpose. Copyright © 2015 Elsevier B.V. All rights reserved.

Implicit unified gas-kinetic scheme for steady state solutions in all flow regimes

NASA Astrophysics Data System (ADS)

Zhu, Yajun; Zhong, Chengwen; Xu, Kun

2016-06-01

This paper presents an implicit unified gas-kinetic scheme (UGKS) for non-equilibrium steady state flow computation. The UGKS is a direct modeling method for flow simulation in all regimes with the updates of both macroscopic flow variables and microscopic gas distribution function. By solving the macroscopic equations implicitly, a predicted equilibrium state can be obtained first through iterations. With the newly predicted equilibrium state, the evolution equation of the gas distribution function and the corresponding collision term can be discretized in a fully implicit way for fast convergence through iterations as well. The lower-upper symmetric Gauss-Seidel (LU-SGS) factorization method is implemented to solve both macroscopic and microscopic equations, which improves the efficiency of the scheme. Since the UGKS is a direct modeling method and its physical solution depends on the mesh resolution and the local time step, a physical time step needs to be fixed before using an implicit iterative technique with a pseudo-time marching step. Therefore, the physical time step in the current implicit scheme is determined by the same way as that in the explicit UGKS for capturing the physical solution in all flow regimes, but the convergence to a steady state speeds up through the adoption of a numerical time step with large CFL number. Many numerical test cases in different flow regimes from low speed to hypersonic ones, such as the Couette flow, cavity flow, and the flow passing over a cylinder, are computed to validate the current implicit method. The overall efficiency of the implicit UGKS can be improved by one or two orders of magnitude in comparison with the explicit one.

Understanding the Broad Substrate Repertoire of Nitroreductase Based on Its Kinetic Mechanism*

PubMed Central

Pitsawong, Warintra; Hoben, John P.; Miller, Anne-Frances

2014-01-01

The oxygen-insensitive nitroreductase from Enterobacter cloacae (NR) catalyzes two-electron reduction of nitroaromatics to the corresponding nitroso compounds and, subsequently, to hydroxylamine products. NR has an unusually broad substrate repertoire, which may be related to protein dynamics (flexibility) and/or a simple non-selective kinetic mechanism. To investigate the possible role of mechanism in the broad substrate repertoire of NR, the kinetics of oxidation of NR by para-nitrobenzoic acid (p-NBA) were investigated using stopped-flow techniques at 4 °C. The results revealed a hyperbolic dependence on the p-NBA concentration with a limiting rate of 1.90 ± 0.09 s−1, indicating one-step binding before the flavin oxidation step. There is no evidence for a distinct binding step in which specificity might be enforced. The reduction of p-NBA is rate-limiting in steady-state turnover (1.7 ± 0.3 s−1). The pre-steady-state reduction kinetics of NR by NADH indicate that NADH reduces the enzyme with a rate constant of 700 ± 20 s−1 and a dissociation constant of 0.51 ± 0.04 mm. Thus, we demonstrate simple transient kinetics in both the reductive and oxidative half-reactions that help to explain the broad substrate repertoire of NR. Finally, we tested the ability of NR to reduce para-hydroxylaminobenzoic acid, demonstrating that the corresponding amine does not accumulate to significant levels even under anaerobic conditions. Thus E. cloacae NR is not a good candidate for enzymatic production of aromatic amines. PMID:24706760

Automobile Stopping Distances.

ERIC Educational Resources Information Center

Logue, L. J.

1979-01-01

Discusses the effect of vehicle mass on stopping distances. Analyzes an example of a sample vehicle and tire, and calculates the braking acceleration showing the effect of different factors on the stopping performance of the tires. (GA)

Synthetic spectral analysis of a kinetic model for slow-magnetosonic waves in solar corona

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

Ruan, Wenzhi; He, Jiansen; Tu, Chuanyi

We propose a kinetic model of slow-magnetosonic waves to explain various observational features associated with the propagating intensity disturbances (PIDs) occurring in the solar corona. The characteristics of slow mode waves, e.g, inphase oscillations of density, velocity, and thermal speed, are reproduced in this kinetic model. Moreover, the red-blue (R-B) asymmetry of the velocity distribution as self-consistently generated in the model is found to be contributed from the beam component, as a result of the competition between Landau resonance and Coulomb collisions. Furthermore, we synthesize the spectral lines and make the spectral analysis, based on the kinetic simulation data ofmore » the flux tube plasmas and the hypothesis of the surrounding background plasmas. It is found that the fluctuations of parameters of the synthetic spectral lines are basically consistent with the observations: (1) the line intensity, Doppler shift, and line width are fluctuating in phase; (2) the R-B asymmetry usually oscillate out of phase with the former three parameters; (3) the blueward asymmetry is more evident than the redward asymmetry in the R-B fluctuations. The oscillations of line parameters become weakened for the case with denser surrounding background plasmas. Similar to the observations, there is no doubled-frequency oscillation of the line width for the case with flux-tube plasmas flowing bulkly upward among the static background plasmas. Therefore, we suggest that the “wave + beam flow” kinetic model may be a viable interpretation for the PIDs observed in the solar corona.« less

Enhanced rhamnolipids production via efficient foam-control using stop valve as a foam breaker.

PubMed

Long, Xuwei; Shen, Chong; He, Ni; Zhang, Guoliang; Meng, Qin

2017-01-01

In this study, a stop valve was used as a foam breaker for dealing with the massive overflowing foam in rhamnolipid fermentation. As found, a stop valve at its tiny opening could break over 90% of the extremely stable rhamnolipid foam into enriched liquid when foam flows through the sharp gap in valve. The efficient foam-control by the stop valve considerably improved the rhamnolipid fermentation and significantly enhanced the rhamnolipid productivity by 83% compared to the regular fermentation. This efficient foam breaking was mainly achieved by a high shear rate in combination with fast separation of air from the collapsed foam. Altogether, the stop valve possessed a great activity in breaking rhamnolipid foam, and the involving mechanism holds the potential for developing efficient foam breakers for industrial rhamnolipid fermentation. Copyright © 2016. Published by Elsevier Ltd.

An MPI-CUDA approach for hypersonic flows with detailed state-to-state air kinetics using a GPU cluster

NASA Astrophysics Data System (ADS)

Bonelli, Francesco; Tuttafesta, Michele; Colonna, Gianpiero; Cutrone, Luigi; Pascazio, Giuseppe

2017-10-01

This paper describes the most advanced results obtained in the context of fluid dynamic simulations of high-enthalpy flows using detailed state-to-state air kinetics. Thermochemical non-equilibrium, typical of supersonic and hypersonic flows, was modeled by using both the accurate state-to-state approach and the multi-temperature model proposed by Park. The accuracy of the two thermochemical non-equilibrium models was assessed by comparing the results with experimental findings, showing better predictions provided by the state-to-state approach. To overcome the huge computational cost of the state-to-state model, a multiple-nodes GPU implementation, based on an MPI-CUDA approach, was employed and a comprehensive code performance analysis is presented. Both the pure MPI-CPU and the MPI-CUDA implementations exhibit excellent scalability performance. GPUs outperform CPUs computing especially when the state-to-state approach is employed, showing speed-ups, of the single GPU with respect to the single-core CPU, larger than 100 in both the case of one MPI process and multiple MPI process.

The kinetically dominated quasar 3C 418

NASA Astrophysics Data System (ADS)

Punsly, Brian; Kharb, Preeti

2017-06-01

The existence of quasars that are kinetically dominated, where the jet kinetic luminosity, Q, is larger than the total (infrared to X-ray) thermal luminosity of the accretion flow, Lbol, provides a strong constraint on the fundamental physics of relativistic jet formation. Since quasars have high values of Lbol by definition, only ˜10 kinetically dominated quasars (with \\overline{Q}/L_{bol}>1) have been found, where \\overline{Q} is the long-term time-averaged jet power. We use low-frequency (151 MHz-1.66 GHz) observations of the quasar 3C 418 to determine \\overline{Q}≈ 5.5 ± 1.3 × 10^{46} {erg s^{-1}}. Analysis of the rest-frame ultraviolet spectrum indicates that this equates to 0.57 ± 0.28 times the Eddington luminosity of the central supermassive black hole and \\overline{Q}/L_{bol} ≈ 4.8 ± 3.1, making 3C 418 one of the most kinetically dominated quasars found to date. It is shown that this maximal \\overline{Q}/L_{bol} is consistent with models of magnetically arrested accretion of jet production in which the jet production reproduces the observed trend of a decrement in the extreme ultraviolet continuum as the jet power increases. This maximal condition corresponds to an almost complete saturation of the inner accretion flow with vertical large-scale magnetic flux (maximum saturation).

A study of the kinetic energy generation with general circulation models

NASA Technical Reports Server (NTRS)

Chen, T.-C.; Lee, Y.-H.

1983-01-01

The history data of winter simulation by the GLAS climate model and the NCAR community climate model are used to examine the generation of atmospheric kinetic energy. The contrast between the geographic distributions of the generation of kinetic energy and divergence of kinetic energy flux shows that kinetic energy is generated in the upstream side of jets, transported to the downstream side and destroyed there. The contributions from the time-mean and transient modes to the counterbalance between generation of kinetic energy and divergence of kinetic energy flux are also investigated. It is observed that the kinetic energy generated by the time-mean mode is essentially redistributed by the time-mean flow, while that generated by the transient flow is mainly responsible for the maintenance of the kinetic energy of the entire atmospheric flow.

Effective potential kinetic theory for strongly coupled plasmas

NASA Astrophysics Data System (ADS)

Baalrud, Scott D.; Daligault, Jérôme

2016-11-01

The effective potential theory (EPT) is a recently proposed method for extending traditional plasma kinetic and transport theory into the strongly coupled regime. Validation from experiments and molecular dynamics simulations have shown it to be accurate up to the onset of liquid-like correlation parameters (corresponding to Γ ≃ 10-50 for the one-component plasma, depending on the process of interest). Here, this theory is briefly reviewed along with comparisons between the theory and molecular dynamics simulations for self-diffusivity and viscosity of the one-component plasma. A number of new results are also provided, including calculations of friction coefficients, energy exchange rates, stopping power, and mobility. The theory is also cast in the Landau and Fokker-Planck kinetic forms, which may prove useful for enabling efficient kinetic computations.

Analysis of movable bus stop boarding and alighting areas.

DOT National Transportation Integrated Search

2013-05-01

This study explored the feasibility of using movable and reusable boarding and alighting (B&A) pads at bus stops. : Potential design alternatives in terms of materials and structural support for these pads were evaluated. The review : focused on the ...

Accelerating moderately stiff chemical kinetics in reactive-flow simulations using GPUs

NASA Astrophysics Data System (ADS)

Niemeyer, Kyle E.; Sung, Chih-Jen

2014-01-01

The chemical kinetics ODEs arising from operator-split reactive-flow simulations were solved on GPUs using explicit integration algorithms. Nonstiff chemical kinetics of a hydrogen oxidation mechanism (9 species and 38 irreversible reactions) were computed using the explicit fifth-order Runge-Kutta-Cash-Karp method, and the GPU-accelerated version performed faster than single- and six-core CPU versions by factors of 126 and 25, respectively, for 524,288 ODEs. Moderately stiff kinetics, represented with mechanisms for hydrogen/carbon-monoxide (13 species and 54 irreversible reactions) and methane (53 species and 634 irreversible reactions) oxidation, were computed using the stabilized explicit second-order Runge-Kutta-Chebyshev (RKC) algorithm. The GPU-based RKC implementation demonstrated an increase in performance of nearly 59 and 10 times, for problem sizes consisting of 262,144 ODEs and larger, than the single- and six-core CPU-based RKC algorithms using the hydrogen/carbon-monoxide mechanism. With the methane mechanism, RKC-GPU performed more than 65 and 11 times faster, for problem sizes consisting of 131,072 ODEs and larger, than the single- and six-core RKC-CPU versions, and up to 57 times faster than the six-core CPU-based implicit VODE algorithm on 65,536 ODEs. In the presence of more severe stiffness, such as ethylene oxidation (111 species and 1566 irreversible reactions), RKC-GPU performed more than 17 times faster than RKC-CPU on six cores for 32,768 ODEs and larger, and at best 4.5 times faster than VODE on six CPU cores for 65,536 ODEs. With a larger time step size, RKC-GPU performed at best 2.5 times slower than six-core VODE for 8192 ODEs and larger. Therefore, the need for developing new strategies for integrating stiff chemistry on GPUs was discussed.

LSENS, a general chemical kinetics and sensitivity analysis code for homogeneous gas-phase reactions. 2: Code description and usage

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan; Bittker, David A.

1994-01-01

LSENS, the Lewis General Chemical Kinetics Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 2 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 2 describes the code, how to modify it, and its usage, including preparation of the problem data file required to execute LSENS. Code usage is illustrated by several example problems, which further explain preparation of the problem data file and show how to obtain desired accuracy in the computed results. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions. Part 1 (NASA RP-1328) derives the governing equations describes the numerical solution procedures for the types of problems that can be solved by lSENS. Part 3 (NASA RP-1330) explains the kinetics and kinetics-plus-sensitivity-analysis problems supplied with LSENS and presents sample results.

Kinetic stability analysis on electromagnetic filamentary structure

NASA Astrophysics Data System (ADS)

Lee, Wonjae; Krasheninnikov, Sergei

2014-10-01

A coherent radial transport of filamentary structures in SOL region is important for its characteristics that can increase unwanted high fluxes to plasma facing components. In the course of propagation in radial direction, the coherency of the filaments is significantly limited by electrostatic resistive drift instability (Angus et al., 2012). Considering higher plasma pressure, which would have more large impact in heat fluxes, electromagnetic effects will reduce the growth rate of the drift wave instability and increase the instabilities from electron inertial effects. According to a linear stability analysis on equations with fluid approximation, the maximum growth rate of the instability from the electron inertia is higher than that of drift-Alfvén wave instability in high beta filaments such as ELMs. However, the analysis on the high beta filaments requires kinetic approach, since the decreased collisionality will make the fluid approximation broken. Therefore, the kinetic analysis will be presented for the electromagnetic effects on the dynamics of filamentary structures. This work was supported by the USDOE Grants DE-FG02-04ER54739 and DE-SC0010413 at UCSD and also by the Kwanjeong Educational Foundation.

Thermodynamics and kinetics of cyanidin 3-glucoside and caffeine copigments.

PubMed

Limón, Piedad M; Gavara, Raquel; Pina, Fernando

2013-06-05

The multiequilibrium system of reactions of cyanidin 3-glucoside at acidic and mildly acidic pH values was studied in the presence of caffeine as a copigment. The thermodynamic and kinetic constants were determined using the so-called direct and reverse pH jump experiments that were followed by conventional UV-vis spectroscopy or stopped flow coupled to a UV-vis detector, depending on the rate of the monitored process. Compared with that of free anthocyanin, the copigmentation with caffeine extends the domain of the flavylium cation up to less acidic pH values, while in a moderately acidic medium, the quinoidal base becomes more stabilized. As a consequence, the hydration to give the colorless hemiketal is difficult over the entire range of pH values. At pH 1, two adducts were found for the flavylium cation-caffeine interaction, with stoichiometries of 1:1 and 1:2 and association constants of 161 M⁻¹ (K₁) and 21 M⁻¹ (K₂), respectively.

Sensitivity analyses of stopping distance for connected vehicles at active highway-rail grade crossings.

PubMed

Hsu, Chung-Jen; Jones, Elizabeth G

2017-02-01

This paper performs sensitivity analyses of stopping distance for connected vehicles (CVs) at active highway-rail grade crossings (HRGCs). Stopping distance is the major safety factor at active HRGCs. A sensitivity analysis is performed for each variable in the function of stopping distance. The formulation of stopping distance treats each variable as a probability density function for implementing Monte Carlo simulations. The result of the sensitivity analysis shows that the initial speed is the most sensitive factor to stopping distances of CVs and non-CVs. The safety of CVs can be further improved by the early provision of onboard train information and warnings to reduce the initial speeds. Copyright © 2016 Elsevier Ltd. All rights reserved.

Granular flow in a rotating drum: Experiments and theory

NASA Astrophysics Data System (ADS)

Hung, C. Y.; Stark, C. P.; Capart, H.; Li, L.; Smith, B.; Grinspun, E.

2015-12-01

Erosion at the base of a debris flow fundamentally controls how large the flow will become and how far it will travel. Experimental observations of this important phenomenon are rather limited, and this lack has led theoretical treatments to making ad hoc assumptions about the basal process. In light of this, we carried out a combination of laboratory experiments and theoretical analysis of granular flow in a rotating drum, a canonical example of steady grain motion in which entrainment rates can be precisely controlled. Our main result is that basal sediment is entrained as the velocity profile adjusts to imbalance in the flow of kinetic energy.Our experimental apparatus consisted of a 40cm-diameter drum, 4cm-deep, half-filled with 2.3mm grains. Rotation rates varied from 1-70 rpm. We varied the effective scale by varying effective gravity from 1g to 70g on a geotechnical centrifuge. The field of grain motion was recorded using high-speed video and mapped using particle tracking velocimetry. In tandem we developed a depth-averaged theory using balance equations for mass, momentum and kinetic energy. We assumed a linearized GDR Midi granular rheology [da Cruz, 2005] and a Coulomb friction law along the sidewalls [Jop et al., 2005]. A scaling analysis of our equations yields a dimensionless "entrainment number" En, which neatly parametrizes the flow geometry in the drum for a wide range of variables, e.g., rotation rate and effective gravity. At low En, the flow profile is planar and kinetic energy is balanced locally in the flow layer. At high En, the flow profile is sigmoidal (yin-yang shaped) and the kinetic energy is dominated by longitudinal, streamwise transfer. We observe different scaling behavior under each of these flow regimes, e.g., between En and kinetic energy, surface slope and flow depth. Our theory correctly predicts their scaling exponents and the value of En at which the regime transition takes place. We are also able to make corrections for

A resource facility for kinetic analysis: modeling using the SAAM computer programs.

PubMed

Foster, D M; Boston, R C; Jacquez, J A; Zech, L

1989-01-01

Kinetic analysis and integrated system modeling have contributed significantly to understanding the physiology and pathophysiology of metabolic systems in humans and animals. Many experimental biologists are aware of the usefulness of these techniques and recognize that kinetic modeling requires special expertise. The Resource Facility for Kinetic Analysis (RFKA) provides this expertise through: (1) development and application of modeling technology for biomedical problems, and (2) development of computer-based kinetic modeling methodologies concentrating on the computer program Simulation, Analysis, and Modeling (SAAM) and its conversational version, CONversational SAAM (CONSAM). The RFKA offers consultation to the biomedical community in the use of modeling to analyze kinetic data and trains individuals in using this technology for biomedical research. Early versions of SAAM were widely applied in solving dosimetry problems; many users, however, are not familiar with recent improvements to the software. The purpose of this paper is to acquaint biomedical researchers in the dosimetry field with RFKA, which, together with the joint National Cancer Institute-National Heart, Lung and Blood Institute project, is overseeing SAAM development and applications. In addition, RFKA provides many service activities to the SAAM user community that are relevant to solving dosimetry problems.

A multisyringe flow-based system for kinetic-catalytic determination of cobalt(II).

PubMed

Chaparro, Laura; Ferrer, Laura; Leal, Luz; Cerdà, Víctor

2015-02-01

A kinetic-catalytic method for cobalt determination based on the catalytic effect of cobalt(II) on the oxidative coupling of 1,2-dihydroxyanthraquinone (alizarin) was automated exploiting multisyringe flow injection analysis (MSFIA). The proposed method was performed at pH 9.2, resulting in a discoloration process in the presence of hydrogen peroxide. The fixed-time approach was employed for analytical signal measurement. The spectrophotometric detection was used exploiting a liquid waveguide capillary cell (LWCC), of 1m optical length at 465 nm. The optimization was carried out by a multivariate approach, reaching critical values of 124 µmol L(-1) and 0.22 mol L(-1) for alizarin and hydrogen peroxide, respectively, and 67°C of reagent temperature. A sample volume of 150 µL was used allowing a sampling rate of 30h(-1). Under optimal conditions, calibration curve was linear in the range of 1-200 µg L(-1) Co, achieving a DL of 0.3 µg L(-1) Co. The repeatability, expressed as relative standard deviation (RSD) was lower than 1%. The proposed analytical procedure was applied to the determination of cobalt in cobalt gluconate and different forms of vitamin B12, cyanocobalamin and hydroxicobalamin with successful results showing recoveries around 95%. Copyright © 2014 Elsevier B.V. All rights reserved.

Single-molecule enzymology of steroid transforming enzymes: Transient kinetic studies and what they tell us.

PubMed

Penning, Trevor M

2016-07-01

Structure-function studies on steroid transforming enzymes often use site-directed mutagenesis to inform mechanisms of catalysis and effects on steroid binding, and data are reported in terms of changes in steady state kinetic parameters kcat, Km and kcat/Km. However, this dissection of function is limited since kcat is governed by the rate-determining step and Km is a complex macroscopic kinetic constant. Often site-directed mutagenesis can lead to a change in the rate-determining step which cannot be revealed by just reporting a decrease in kcat alone. These issues are made more complex when it is considered that many steroid transforming enzymes have more than one substrate and product. We present the case for using transient-kinetics performed with stopped-flow spectrometry to assign rate constants to discrete steps in these multi-substrate reactions and their use to interpret enzyme mechanism and the effects of disease and engineered mutations. We demonstrate that fluorescence kinetic transients can be used to measure ligand binding that may be accompanied by isomerization steps, revealing the existence of new enzyme intermediates. We also demonstrate that single-turnover reactions can provide a klim for the chemical step and Ks for steroid-substrate binding and that when coupled with kinetic isotope effect measurements can provide information on transition state intermediates. We also demonstrate how multiple turnover experiments can provide evidence for either "burst-phase" kinetics, which can reveal a slow product release step, or linear-phase kinetics, in which the chemical step can be rate-determining. With these assignments it becomes more straightforward to analyze the effects of mutations. We use examples from the hydroxysteroid dehydrogenases (AKR1Cs) and human steroid 5β-reductase (AKR1D1) to illustrate the utility of the approach, which are members of the aldo-keto reductase (AKR) superfamily. Copyright © 2015 Elsevier Ltd. All rights reserved.

Physico-Geometrical Kinetics of Solid-State Reactions in an Undergraduate Thermal Analysis Laboratory

ERIC Educational Resources Information Center

Koga, Nobuyoshi; Goshi, Yuri; Yoshikawa, Masahiro; Tatsuoka, Tomoyuki

2014-01-01

An undergraduate kinetic experiment of the thermal decomposition of solids by microscopic observation and thermal analysis was developed by investigating a suitable reaction, applicable techniques of thermal analysis and microscopic observation, and a reliable kinetic calculation method. The thermal decomposition of sodium hydrogen carbonate is…

Light stops and observation of supersymmetry at LHC run II

NASA Astrophysics Data System (ADS)

Kaufman, Bryan; Nath, Pran; Nelson, Brent D.; Spisak, Andrew B.

2015-11-01

Light stops consistent with the Higgs boson mass of ˜126 GeV are investigated within the framework of minimal supergravity. It is shown that models with light stops which are also consistent with the thermal relic density constraints require stop coannihilation with the neutralino LSP. The analysis shows that the residual set of parameter points with light stops satisfying both the Higgs mass and the relic density constraints lie within a series of thin strips in the m0-m1 /2 plane for different values of A0/m0. Consequently, this region of minimal supergravity parameter space makes a number of very precise predictions. It is found that light stops of mass down to 400 GeV or lower can exist consistent with all constraints. A signal analysis for this class of models at LHC run II is carried out and the dominant signals for their detection identified. Also computed is the minimum integrated luminosity for 5 σ discovery of the models analyzed. If supersymmetry is realized in this manner, the stop masses can be as low as 400 GeV or lower, and the mass gap between the lightest neutralino and lightest stop will be approximately 30-40 GeV. We have optimized the ATLAS signal regions specifically for stop searches in the parameter space and find that a stop with mass ˜375 GeV can be discovered with as little as ˜60 fb-1 of integrated luminosity at run II of the LHC; the integrated luminosity needed for discovery could be further reduced with more efficient signature analyses. The direct detection of dark matter in this class of models is also discussed. It is found that dark matter cross sections lie close to, but above, coherent neutrino scattering and would require multiton detectors such as LZ to see a signal of dark matter for this class of models.

Using ground reaction force to predict knee kinetic asymmetry following anterior cruciate ligament reconstruction.

PubMed

Dai, B; Butler, R J; Garrett, W E; Queen, R M

2014-12-01

Asymmetries in sagittal plane knee kinetics have been identified as a risk factor for anterior cruciate ligament (ACL) re-injury. Clinical tools are needed to identify the asymmetries. This study examined the relationships between knee kinetic asymmetries and ground reaction force (GRF) asymmetries during athletic tasks in adolescent patients following ACL reconstruction (ACL-R). Kinematic and GRF data were collected during a stop-jump task and a side-cutting task for 23 patients. Asymmetry indices between the surgical and non-surgical limbs were calculated for GRF and knee kinetic variables. For the stop-jump task, knee kinetics asymmetry indices were correlated with all GRF asymmetry indices (P < 0.05), except for loading rate. Vertical GRF impulse asymmetry index predicted peak knee moment, average knee moment, and knee work (R(2)  ≥ 0.78, P < 0.01) asymmetry indices. For the side-cutting tasks, knee kinetic asymmetry indices were correlated with the peak propulsion vertical GRF and vertical GRF impulse asymmetry indices (P < 0.05). Vertical GRF impulse asymmetry index predicted peak knee moment, average knee moment, and knee work (R(2)  ≥ 0.55, P < 0.01) asymmetry indices. The vertical GRF asymmetries may be a viable surrogate for knee kinetic asymmetries and therefore may assist in optimizing rehabilitation outcomes and minimizing re-injury rates. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Interrupted flow reference energy mean emission levels for the FHWA Traffic Noise Model

DOT National Transportation Integrated Search

1997-01-01

This report presents the measurement, data reduction and analysis of individual vehicle sound level and speed data for non-constant speed situations. These situations are referred to as interrupted flow conditions and include acceleration from stop s...

Design and Analysis of a Triple Stop-band Filter Using Ratioed Periodical Defected Microstrip Structure

NASA Astrophysics Data System (ADS)

Jiang, Tao; Wang, Yanyan; Li, Yingsong

2017-07-01

In this paper, a triple stop-band filter with a ratioed periodical defected microstrip structure is proposed for wireless communication applications. The proposed ratioed periodical defected microstrip structures are spiral slots, which are embedded into a 50 Ω microstrip line to obtain multiple stop-bands. The performance of the proposed triple stop-band filter is investigated numerically and experimentally. Moreover, the equivalent circuit model of the proposed filter is also established and discussed. The results are given to verify that the proposed triple stop-band filter has three stop bands at 3.3 GHz, 5.2 GHz, 6.8 GHz to reject the unwanted signals, which is promising for integrating into UWB communication systems to efficiently prevent the potential interferences from unexpected narrowband signals such as WiMAX, WLAN and RFID communication systems.

Effect of oxygen-breathing during a decompression-stop on bubble-induced platelet activation after an open-sea air dive: oxygen-stop decompression.

PubMed

Pontier, J-M; Lambrechts, K

2014-06-01

We highlighted a relationship between decompression-induced bubble formation and platelet micro-particle (PMP) release after a scuba air-dive. It is known that decompression protocol using oxygen-stop accelerates the washout of nitrogen loaded in tissues. The aim was to study the effect of oxygen deco-stop on bubble formation and cell-derived MP release. Healthy experienced divers performed two scuba-air dives to 30 msw for 30 min, one with an air deco-stop and a second with 100% oxygen deco-stop at 3 msw for 9 min. Bubble grades were monitored with ultrasound and converted to the Kisman integrated severity score (KISS). Blood samples for cell-derived micro-particle analysis (AnnexinV for PMP and CD31 for endothelial MP) were taken 1 h before and after each dive. Mean KISS bubble score was significantly lower after the dive with oxygen-decompression stop, compared to the dive with air-decompression stop (4.3 ± 7.3 vs. 32.7 ± 19.9, p < 0.001). After the dive with an air-breathing decompression stop, we observed an increase of the post-dive mean values of PMP (753 ± 245 vs. 381 ± 191 ng/μl, p = 0.003) but no significant change in the oxygen-stop decompression dive (329 ± 215 vs. 381 +/191 ng/μl, p = 0.2). For the post-dive mean values of endothelial MP, there was no significant difference between both the dives. The Oxygen breathing during decompression has a beneficial effect on bubble formation accelerating the washout of nitrogen loaded in tissues. Secondary oxygen-decompression stop could reduce bubble-induced platelet activation and the pro-coagulant activity of PMP release preventing the thrombotic event in the pathogenesis of decompression sickness.

[Effects of sustained and stopped hand actions on sensible/nonsensible judgments of verbal phrase of action: comparison between actual action and viewing a movie].

PubMed

Yamamoto, Yukiko; Hakoda, Yuji

2002-04-01

The present study investigated how an actual action or viewing a movie of an action influences the subsequent semantic processing of a verbal phrase concerning the action (e.g., holding a bag with a hand). Forty participants made sensible/nonsensible judgments about the target phrase which were preceded by one of the four prime conditions: sustained action, stopped action, sustained viewing movie, and stopped viewing movie. A facilitatory priming effect was observed in the sustained action condition. Whereas an inhibitory effect was observed in the stopped action condition. These results suggest that the kinetic information affects on the semantic processing of a verbal phrase of action.

Using Student Writing and Lexical Analysis to Reveal Student Thinking about the Role of Stop Codons in the Central Dogma

PubMed Central

Prevost, Luanna B.; Smith, Michelle K.; Knight, Jennifer K.

2016-01-01

Previous work has shown that students have persistent difficulties in understanding how central dogma processes can be affected by a stop codon mutation. To explore these difficulties, we modified two multiple-choice questions from the Genetics Concept Assessment into three open-ended questions that asked students to write about how a stop codon mutation potentially impacts replication, transcription, and translation. We then used computer-assisted lexical analysis combined with human scoring to categorize student responses. The lexical analysis models showed high agreement with human scoring, demonstrating that this approach can be successfully used to analyze large numbers of student written responses. The results of this analysis show that students’ ideas about one process in the central dogma can affect their thinking about subsequent and previous processes, leading to mixed models of conceptual understanding. PMID:27909016

Improving stopping construction to minimize leakage

PubMed Central

Grau, Roy H.; Mazzella, Andrew L.; Martikainen, Anu L.

2015-01-01

The proper sealing of stoppings is an important step in reducing leakage from the intake to the return airways. Leakage and the subsequent loss of ventilation resulting from improperly sealed stoppings can lead to unhealthy and unsafe working conditions. The research presented in this paper investigates the total leakage of a stopping, including air leakage through the stopping, at the stopping perimeter, and through the coalbed. The study also examines sealing considerations for stoppings that are constructed under roof control screen, the effects that wooden wedges had on inhibiting efficient application of polyurethane foam sealant, and airflow leakage through the surrounding coal. The work involved building a stopping in a dead end room of the NIOSH Safety Research Coal Mine and then pressurising the room using compressed air. Stopping leakage was evaluated by measuring air pressure loss in the enclosed room due to the air leakage. Part of the research utilises a diluted soap solution that was applied to the stopping and the surrounding coal to detect air leakage signified by bubble formations. The results show that stopping leakage can be minimised with proper sealing PMID:26379366

A kinetic energy analysis of the meso beta-scale severe storm environment

NASA Technical Reports Server (NTRS)

Fuelberg, H. E.; Printy, M. F.

1984-01-01

Analyses are performed of the meso beta-scale (20-200 km wavelengths and several hours to one-day periods) severe storm kinetic energy balance on the fifth day of the AVE SESAME campaign of May 1979. A 24-hr interval covering the antecedent, active and post-convective outbreak activity over Oklahoma are considered. Use is made of the kinetic energy budget equation (KEBE) for a finite volume in an isobaric coordinate system. Rawindsonde data with 75 km resolution were treated. The KEBE model covered changes in kinetic energy due to the cross contour flows, horizontal and vertical components of flux divergence, and volumic mass changes on synoptic and subsynoptic scales. The greatest variability was concentrated above 400 mb height and over the most intense storm activity. Energy was generated at the highest rates in divergence and decreased the most in convection. The meso beta-scale lacked sufficient resolution for analyzing mesoscale activity.

Modeling Hybridization Kinetics of Gene Probes in a DNA Biochip Using FEMLAB

PubMed Central

Munir, Ahsan; Waseem, Hassan; Williams, Maggie R.; Stedtfeld, Robert D.; Gulari, Erdogan; Tiedje, James M.; Hashsham, Syed A.

2017-01-01

Microfluidic DNA biochips capable of detecting specific DNA sequences are useful in medical diagnostics, drug discovery, food safety monitoring and agriculture. They are used as miniaturized platforms for analysis of nucleic acids-based biomarkers. Binding kinetics between immobilized single stranded DNA on the surface and its complementary strand present in the sample are of interest. To achieve optimal sensitivity with minimum sample size and rapid hybridization, ability to predict the kinetics of hybridization based on the thermodynamic characteristics of the probe is crucial. In this study, a computer aided numerical model for the design and optimization of a flow-through biochip was developed using a finite element technique packaged software tool (FEMLAB; package included in COMSOL Multiphysics) to simulate the transport of DNA through a microfluidic chamber to the reaction surface. The model accounts for fluid flow, convection and diffusion in the channel and on the reaction surface. Concentration, association rate constant, dissociation rate constant, recirculation flow rate, and temperature were key parameters affecting the rate of hybridization. The model predicted the kinetic profile and signal intensities of eighteen 20-mer probes targeting vancomycin resistance genes (VRGs). Predicted signal intensities and hybridization kinetics strongly correlated with experimental data in the biochip (R2 = 0.8131). PMID:28555058

Modeling Hybridization Kinetics of Gene Probes in a DNA Biochip Using FEMLAB.

PubMed

Munir, Ahsan; Waseem, Hassan; Williams, Maggie R; Stedtfeld, Robert D; Gulari, Erdogan; Tiedje, James M; Hashsham, Syed A

2017-05-29

Microfluidic DNA biochips capable of detecting specific DNA sequences are useful in medical diagnostics, drug discovery, food safety monitoring and agriculture. They are used as miniaturized platforms for analysis of nucleic acids-based biomarkers. Binding kinetics between immobilized single stranded DNA on the surface and its complementary strand present in the sample are of interest. To achieve optimal sensitivity with minimum sample size and rapid hybridization, ability to predict the kinetics of hybridization based on the thermodynamic characteristics of the probe is crucial. In this study, a computer aided numerical model for the design and optimization of a flow-through biochip was developed using a finite element technique packaged software tool (FEMLAB; package included in COMSOL Multiphysics) to simulate the transport of DNA through a microfluidic chamber to the reaction surface. The model accounts for fluid flow, convection and diffusion in the channel and on the reaction surface. Concentration, association rate constant, dissociation rate constant, recirculation flow rate, and temperature were key parameters affecting the rate of hybridization. The model predicted the kinetic profile and signal intensities of eighteen 20-mer probes targeting vancomycin resistance genes (VRGs). Predicted signal intensities and hybridization kinetics strongly correlated with experimental data in the biochip (R² = 0.8131).

High-throughput microcoil NMR of compound libraries using zero-dispersion segmented flow analysis.

PubMed

Kautz, Roger A; Goetzinger, Wolfgang K; Karger, Barry L

2005-01-01

An automated system for loading samples into a microcoil NMR probe has been developed using segmented flow analysis. This approach enhanced 2-fold the throughput of the published direct injection and flow injection methods, improved sample utilization 3-fold, and was applicable to high-field NMR facilities with long transfer lines between the sample handler and NMR magnet. Sample volumes of 2 microL (10-30 mM, approximately 10 microg) were drawn from a 96-well microtiter plate by a sample handler, then pumped to a 0.5-microL microcoil NMR probe as a queue of closely spaced "plugs" separated by an immiscible fluorocarbon fluid. Individual sample plugs were detected by their NMR signal and automatically positioned for stopped-flow data acquisition. The sample in the NMR coil could be changed within 35 s by advancing the queue. The fluorocarbon liquid wetted the wall of the Teflon transfer line, preventing the DMSO samples from contacting the capillary wall and thus reducing sample losses to below 5% after passage through the 3-m transfer line. With a wash plug of solvent between samples, sample-to-sample carryover was <1%. Significantly, the samples did not disperse into the carrier liquid during loading or during acquisitions of several days for trace analysis. For automated high-throughput analysis using a 16-second acquisition time, spectra were recorded at a rate of 1.5 min/sample and total deuterated solvent consumption was <0.5 mL (1 US dollar) per 96-well plate.

Validation of Bayesian analysis of compartmental kinetic models in medical imaging.

PubMed

Sitek, Arkadiusz; Li, Quanzheng; El Fakhri, Georges; Alpert, Nathaniel M

2016-10-01

Kinetic compartmental analysis is frequently used to compute physiologically relevant quantitative values from time series of images. In this paper, a new approach based on Bayesian analysis to obtain information about these parameters is presented and validated. The closed-form of the posterior distribution of kinetic parameters is derived with a hierarchical prior to model the standard deviation of normally distributed noise. Markov chain Monte Carlo methods are used for numerical estimation of the posterior distribution. Computer simulations of the kinetics of F18-fluorodeoxyglucose (FDG) are used to demonstrate drawing statistical inferences about kinetic parameters and to validate the theory and implementation. Additionally, point estimates of kinetic parameters and covariance of those estimates are determined using the classical non-linear least squares approach. Posteriors obtained using methods proposed in this work are accurate as no significant deviation from the expected shape of the posterior was found (one-sided P>0.08). It is demonstrated that the results obtained by the standard non-linear least-square methods fail to provide accurate estimation of uncertainty for the same data set (P<0.0001). The results of this work validate new methods for a computer simulations of FDG kinetics. Results show that in situations where the classical approach fails in accurate estimation of uncertainty, Bayesian estimation provides an accurate information about the uncertainties in the parameters. Although a particular example of FDG kinetics was used in the paper, the methods can be extended for different pharmaceuticals and imaging modalities. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Progress in understanding heavy-ion stopping

NASA Astrophysics Data System (ADS)

Sigmund, P.; Schinner, A.

2016-09-01

We report some highlights of our work with heavy-ion stopping in the energy range where Bethe stopping theory breaks down. Main tools are our binary stopping theory (PASS code), the reciprocity principle, and Paul's data base. Comparisons are made between PASS and three alternative theoretical schemes (CasP, HISTOP and SLPA). In addition to equilibrium stopping we discuss frozen-charge stopping, deviations from linear velocity dependence below the Bragg peak, application of the reciprocity principle in low-velocity stopping, modeling of equilibrium charges, and the significance of the so-called effective charge.

Probing fast ribozyme reactions under biological conditions with rapid quench-flow kinetics

PubMed Central

Bingaman, Jamie L.; Messina, Kyle J.; Bevilacqua, Philip C.

2017-01-01

Reaction kinetics on the millisecond timescale pervade the protein and RNA fields. To study such reactions, investigators often perturb the system with abiological solution conditions or substrates in order to slow the rate to timescales accessible by hand-mixing; however, such perturbations can change the rate-limiting step and obscure key folding and chemical steps that are found under biological conditions. Mechanical methods for collecting data on the millisecond timescale, which allow these perturbations to be avoided, have been developed over the last few decades. These methods are relatively simple and can be conducted on affordable and commercially available instruments. Here, we focus on using the rapid quench-flow technique to study the fast reaction kinetics of RNA enzymes, or ribozymes, which often react on the millisecond timescale under biological conditions. Rapid quench of ribozymes is completely parallel to the familiar hand-mixing approach, including the use of radiolabeled RNAs and fractionation of reactions on polyacrylamide gels. We provide tips on addressing and preventing common problems that can arise with the rapid-quench technique. Guidance is also offered on ensuring the ribozyme is properly folded and fast-reacting. We hope that this article will facilitate the broader use of rapid-quench instrumentation to study fast-reacting ribozymes under biological reaction conditions. PMID:28315484

LSENS, A General Chemical Kinetics and Sensitivity Analysis Code for Homogeneous Gas-Phase Reactions. Part 2; Code Description and Usage

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan; Bittker, David A.

1994-01-01

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part II of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part II describes the code, how to modify it, and its usage, including preparation of the problem data file required to execute LSENS. Code usage is illustrated by several example problems, which further explain preparation of the problem data file and show how to obtain desired accuracy in the computed results. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions. Part I (NASA RP-1328) derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved by LSENS. Part III (NASA RP-1330) explains the kinetics and kinetics-plus-sensitivity-analysis problems supplied with LSENS and presents sample results.

Phi-value analysis of apo-azurin folding: comparison between experiment and theory.

PubMed

Zong, Chenghang; Wilson, Corey J; Shen, Tongye; Wolynes, Peter G; Wittung-Stafshede, Pernilla

2006-05-23

Pseudomonas aeruginosa azurin is a 128-residue beta-sandwich metalloprotein; in vitro kinetic experiments have shown that it folds in a two-state reaction. Here, we used a variational free energy functional to calculate the characteristics of the transition state ensemble (TSE) for folding of the apo-form of P. aeruginosa azurin and investigate how it responds to thermal and mutational changes. The variational method directly yields predicted chevron plots for wild-type and mutant apo-forms of azurin. In parallel, we performed in vitro kinetic-folding experiments on the same set of azurin variants using chemical perturbation. Like the wild-type protein, all apo-variants fold in apparent two-state reactions both in calculations and in stopped-flow mixing experiments. Comparisons of phi (phi) values determined from the experimental and theoretical chevron parameters reveal an excellent agreement for most positions, indicating a polarized, highly structured TSE for folding of P. aeruginosa apo-azurin. We also demonstrate that careful analysis of side-chain interactions is necessary for appropriate theoretical description of core mutants.

Kinetic analysis of overlapping multistep thermal decomposition comprising exothermic and endothermic processes: thermolysis of ammonium dinitramide.

PubMed

Muravyev, Nikita V; Koga, Nobuyoshi; Meerov, Dmitry B; Pivkina, Alla N

2017-01-25

This study focused on kinetic modeling of a specific type of multistep heterogeneous reaction comprising exothermic and endothermic reaction steps, as exemplified by the practical kinetic analysis of the experimental kinetic curves for the thermal decomposition of molten ammonium dinitramide (ADN). It is known that the thermal decomposition of ADN occurs as a consecutive two step mass-loss process comprising the decomposition of ADN and subsequent evaporation/decomposition of in situ generated ammonium nitrate. These reaction steps provide exothermic and endothermic contributions, respectively, to the overall thermal effect. The overall reaction process was deconvoluted into two reaction steps using simultaneously recorded thermogravimetry and differential scanning calorimetry (TG-DSC) curves by considering the different physical meanings of the kinetic data derived from TG and DSC by P value analysis. The kinetic data thus separated into exothermic and endothermic reaction steps were kinetically characterized using kinetic computation methods including isoconversional method, combined kinetic analysis, and master plot method. The overall kinetic behavior was reproduced as the sum of the kinetic equations for each reaction step considering the contributions to the rate data derived from TG and DSC. During reproduction of the kinetic behavior, the kinetic parameters and contributions of each reaction step were optimized using kinetic deconvolution analysis. As a result, the thermal decomposition of ADN was successfully modeled as partially overlapping exothermic and endothermic reaction steps. The logic of the kinetic modeling was critically examined, and the practical usefulness of phenomenological modeling for the thermal decomposition of ADN was illustrated to demonstrate the validity of the methodology and its applicability to similar complex reaction processes.

Stochastic lumping analysis for linear kinetics and its application to the fluctuation relations between hierarchical kinetic networks.

PubMed

Deng, De-Ming; Chang, Cheng-Hung

2015-05-14

Conventional studies of biomolecular behaviors rely largely on the construction of kinetic schemes. Since the selection of these networks is not unique, a concern is raised whether and under which conditions hierarchical schemes can reveal the same experimentally measured fluctuating behaviors and unique fluctuation related physical properties. To clarify these questions, we introduce stochasticity into the traditional lumping analysis, generalize it from rate equations to chemical master equations and stochastic differential equations, and extract the fluctuation relations between kinetically and thermodynamically equivalent networks under intrinsic and extrinsic noises. The results provide a theoretical basis for the legitimate use of low-dimensional models in the studies of macromolecular fluctuations and, more generally, for exploring stochastic features in different levels of contracted networks in chemical and biological kinetic systems.

Luminescent beam stop

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

Bryant, Diane; Morton, Simon A.

This disclosure provides systems, methods, and apparatus related to beam stops. In one aspect, a device comprises a luminescent material, a beam stop plate, and an optical fiber. The luminescent material is a parallelepiped having a first side and a second side that are squares and having a third side that is a rectangle or a square. The first side and the second side are perpendicular to the third side. The beam stop plate is attached to the first side of the luminescent material. The optical fiber has a first end and a second end, with the first end ofmore » the optical fiber attached to the third side of the luminescent material.« less

All in One Stop? The Accessibility of Work Support Programs at One-Stop Centers.

ERIC Educational Resources Information Center

Richer, Elise; Kubo, Hitomi; Frank, Abbey

The accessibility of work support programs at one-stop centers was examined in a study during which 33 telephone directors or managers of one-stop centers in 22 states were interviewed by telephone. The interviews established the existence of extensive differences between one-stop centers from the standpoint of all aspects of their operation,…

Visual evaluation of kinetic characteristics of PET probe for neuroreceptors using a two-phase graphic plot analysis.

PubMed

Ito, Hiroshi; Ikoma, Yoko; Seki, Chie; Kimura, Yasuyuki; Kawaguchi, Hiroshi; Takuwa, Hiroyuki; Ichise, Masanori; Suhara, Tetsuya; Kanno, Iwao

2017-05-01

Objectives In PET studies for neuroreceptors, tracer kinetics are described by the two-tissue compartment model (2-TCM), and binding parameters, including the total distribution volume (V T ), non-displaceable distribution volume (V ND ), and binding potential (BP ND ), can be determined from model parameters estimated by kinetic analysis. The stability of binding parameter estimates depends on the kinetic characteristics of radioligands. To describe these kinetic characteristics, we previously developed a two-phase graphic plot analysis in which V ND and V T can be estimated from the x-intercept of regression lines for early and delayed phases, respectively. In this study, we applied this graphic plot analysis to visual evaluation of the kinetic characteristics of radioligands for neuroreceptors, and investigated a relationship between the shape of these graphic plots and the stability of binding parameters estimated by the kinetic analysis with 2-TCM in simulated brain tissue time-activity curves (TACs) with various binding parameters. Methods 90-min TACs were generated with the arterial input function and assumed kinetic parameters according to 2-TCM. Graphic plot analysis was applied to these simulated TACs, and the curvature of the plot for each TAC was evaluated visually. TACs with several noise levels were also generated with various kinetic parameters, and the bias and variation of binding parameters estimated by kinetic analysis were calculated in each TAC. These bias and variation were compared with the shape of graphic plots. Results The graphic plots showed larger curvature for TACs with higher specific binding and slower dissociation of specific binding. The quartile deviations of V ND and BP ND determined by kinetic analysis were smaller for radioligands with slow dissociation. Conclusions The larger curvature of graphic plots for radioligands with slow dissociation might indicate a stable determination of V ND and BP ND by kinetic analysis. For

Stop/Start: Overview

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: vertical blue rule Main stage: See through car with battery, engine, and electric starter/generator visible . The car is stopped at an intersection. Main stage: See through car with battery, engine, and electric starter/generator visible. The car is stopped at an intersection. Battery: The battery is used to store

Absorption Kinetics of Phage Lambda on Its Host Under Shear Flow

NASA Astrophysics Data System (ADS)

Yip, C. W.; Wu, X. L.

2000-03-01

Classical blender experiment by Hershey and Chase played a seminal role in illustrating the infectious process of bacteriophage to its host, and showed unequivocally that DNA is responsible for the transmission of heredity. Subsequent works by others have established that interaction between phage particles and bacterial cells is a diffusion-limited process in that, statistically speaking, each collision results in an irreversible infection. However, such a result is hard to reconcile with the fact that the infection appears to be independent of the density of phage receptors on the bacterial cell membrane. Thus, quantitative experiments showing how a phage finds its receptor and how long does it take would be valuable to this paradoxical view. Simple calculations based on Brownian motion of the phage particles show that the interaction time between the receptor and the phage is given by tau=b^2/(5D), where b is the length of the phage and D is its diffusion coefficient. Using a shear flow apparatus we study absorption kinetics of lambda phage on E. Coli (strain YMEL) under different flow conditions, and the results are compared with a simple diffusion model taking into account the hydrodynamic convection and the interaction time tau.

Kinetic analysis of a Michaelis-Menten mechanism in which the enzyme is unstable.

PubMed Central

Garrido-del Solo, C; García-Cánovas, F; Havsteen, B H; Varón-Castellanos, R

1993-01-01

A kinetic analysis of the Michaelis-Menten mechanism is made for the cases in which the free enzyme, or the enzyme-substrate complex, or both, are unstable, either spontaneously or as a result of the addition of a reagent. The explicit time-course equations of all of the species involved has been derived under conditions of limiting enzyme concentration. The validity of these equations has been checked by using numerical simulations. An experimental design and a kinetic data analysis allowing the evaluation of the parameters and kinetic constants are recommended. PMID:8373361

StopApp: Using the Behaviour Change Wheel to Develop an App to Increase Uptake and Attendance at NHS Stop Smoking Services.

PubMed

Fulton, Emily Anne; Brown, Katherine E; Kwah, Kayleigh L; Wild, Sue

2016-06-08

Smokers who attend NHS Stop Smoking Services (SSS) are four times more likely to stop smoking; however, uptake has been in decline. We report the development of an intervention designed to increase uptake of SSS, from a more motivated self-selected sample of smokers. In Phase 1 we collected data to explore the barriers and facilitators to people using SSS. In Phase 2, data from extant literature and Phase 1 were subject to behavioural analysis, as outlined by the Behaviour Change Wheel (BCW) framework. Relevant Behaviour Change Techniques (BCTs) were identified in order to address these, informing the content of the StopApp intervention. In Phase 3 we assessed the acceptability of the StopApp. Smokers and ex-smokers identified a number of barriers to attending SSS, including a lack of knowledge about what happens at SSS (Capability); the belief that SSS is not easy to access (Opportunity); that there would be 'scare tactics' or 'nagging'; and not knowing anyone who had been and successfully quit (Motivation). The 'StopApp' is in development and will link in with the commissioned SSS booking system. Examples of the content and functionality of the app are outlined. The next phase will involve a full trial to test effectiveness.

Comparative kinetic analysis on thermal degradation of some cephalosporins using TG and DSC data

PubMed Central

2013-01-01

Background The thermal decomposition of cephalexine, cefadroxil and cefoperazone under non-isothermal conditions using the TG, respectively DSC methods, was studied. In case of TG, a hyphenated technique, including EGA, was used. Results The kinetic analysis was performed using the TG and DSC data in air for the first step of cephalosporin’s decomposition at four heating rates. The both TG and DSC data were processed according to an appropriate strategy to the following kinetic methods: Kissinger-Akahira-Sunose, Friedman, and NPK, in order to obtain realistic kinetic parameters, even if the decomposition process is a complex one. The EGA data offer some valuable indications about a possible decomposition mechanism. The obtained data indicate a rather good agreement between the activation energy’s values obtained by different methods, whereas the EGA data and the chemical structures give a possible explanation of the observed differences on the thermal stability. A complete kinetic analysis needs a data processing strategy using two or more methods, but the kinetic methods must also be applied to the different types of experimental data (TG and DSC). Conclusion The simultaneous use of DSC and TG data for the kinetic analysis coupled with evolved gas analysis (EGA) provided us a more complete picture of the degradation of the three cephalosporins. It was possible to estimate kinetic parameters by using three different kinetic methods and this allowed us to compare the Ea values obtained from different experimental data, TG and DSC. The thermodegradation being a complex process, the both differential and integral methods based on the single step hypothesis are inadequate for obtaining believable kinetic parameters. Only the modified NPK method allowed an objective separation of the temperature, respective conversion influence on the reaction rate and in the same time to ascertain the existence of two simultaneous steps. PMID:23594763

Database-Centric Method for Automated High-Throughput Deconvolution and Analysis of Kinetic Antibody Screening Data.

PubMed

Nobrega, R Paul; Brown, Michael; Williams, Cody; Sumner, Chris; Estep, Patricia; Caffry, Isabelle; Yu, Yao; Lynaugh, Heather; Burnina, Irina; Lilov, Asparouh; Desroches, Jordan; Bukowski, John; Sun, Tingwan; Belk, Jonathan P; Johnson, Kirt; Xu, Yingda

2017-10-01

The state-of-the-art industrial drug discovery approach is the empirical interrogation of a library of drug candidates against a target molecule. The advantage of high-throughput kinetic measurements over equilibrium assessments is the ability to measure each of the kinetic components of binding affinity. Although high-throughput capabilities have improved with advances in instrument hardware, three bottlenecks in data processing remain: (1) intrinsic molecular properties that lead to poor biophysical quality in vitro are not accounted for in commercially available analysis models, (2) processing data through a user interface is time-consuming and not amenable to parallelized data collection, and (3) a commercial solution that includes historical kinetic data in the analysis of kinetic competition data does not exist. Herein, we describe a generally applicable method for the automated analysis, storage, and retrieval of kinetic binding data. This analysis can deconvolve poor quality data on-the-fly and store and organize historical data in a queryable format for use in future analyses. Such database-centric strategies afford greater insight into the molecular mechanisms of kinetic competition, allowing for the rapid identification of allosteric effectors and the presentation of kinetic competition data in absolute terms of percent bound to antigen on the biosensor.

A kinetic study of solar wind electrons in the transition region from collision dominated to collisionless flow

NASA Technical Reports Server (NTRS)

Lie-Svendsen, O.; Leer, E.

1995-01-01

We have studied the evolution of the velocity distribution function of a test population of electrons in the solar corona and inner solar wind region, using a recently developed kinetic model. The model solves the time dependent, linear transport equation, with a Fokker-Planck collision operator to describe Coulomb collisions between the 'test population' and a thermal background of charged particles, using a finite differencing scheme. The model provides information on how non-Maxwellian features develop in the distribution function in the transition region from collision dominated to collisionless flow. By taking moments of the distribution the evolution of higher order moments, such as the heat flow, can be studied.

Measured values of coal mine stopping resistance

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

Oswald, N.; Prosser, B.; Ruckman, R.

2008-12-15

As coal mines become larger, the number of stoppings in the ventilation system increases. Each stopping represents a potential leakage path which must be adequately represented in the ventilation model. Stopping resistance can be calculated using two methods, the USBM method, used to determine a resistance for a single stopping, and the MVS technique, in which an average resistance is calculated for multiple stoppings. Through MVS data collected from ventilation surveys of different subsurface coal mines, average resistances for stoppings were determined for stopping in poor, average, good, and excellent conditions. The calculated average stoppings resistance were determined for concretemore » block and Kennedy stopping. Using the average stopping resistance, measured and calculated using the MVS method, provides a ventilation modeling tool which can be used to construct more accurate and useful ventilation models. 3 refs., 3 figs.« less

Measurement and interpretation of electron angle at MABE beam stop

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

Sanford, T.W.L.; Coleman, P.D.; Poukey, J.W.

1985-01-01

This analysis shows that radiation measurements combined with a sophisticated simulation provides a simple but powerful tool for estimating beam temperature in intense pulsed annular electron-beam accelerators. Specifically, the mean angle of incidence of a 60 kA, 7 MeV annular electron-beam at the beam stop of the MABE accelerator and the transverse beam temperature are determined. The angle is extracted by comparing dose profiles measured downstream of the stop with that expected from a simulation of the electron/photon transport in the stop. By calculating and removing the effect on the trajectories due to the change in electric field near themore » stop, the beam temperature is determined. Such measurements help give insight to beam generation and propagation within the accelerator. 9 refs., 6 figs., 1 tab.« less

Measurement and interpretation of electron angle at mabe beam stop

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

Sanford, T.W.L.; Coleman, P.D.; Poukey, J.W.

1985-10-01

This analysis shows that radiation measurements combined with a sophisticated simulation provides a simple but powerful tool for estimating beam temperature in intense pulsed annular electron-beam accelerators. Specifically, the mean angle of incidence of a 60 kA, 7 MeV annular electron-beam at the beam stop of the MABE accelerator and the transverse beam temperature are determined. The angle is extracted by comparing dose profiles measured downstream of the stop with that expected from a simulation of the electron/photon transport in the stop. By calculating and removing the effect on the trajectories due to the change in electric field near themore » stop, the beam temperature is determined. Such measurements help give insight to beam generation and propagation within the accelerator.« less

Kinetic effects on the velocity-shear-driven instability

NASA Technical Reports Server (NTRS)

Wang, Z.; Pritchett, P. L.; Ashour-Abdalla, M.

1992-01-01

A comparison is made between the properties of the low-frequency long-wavelength velocity-shear-driven instability in kinetic theory and magnetohydrodynamics (MHD). The results show that the removal of adiabaticity along the magnetic field line in kinetic theory leads to modifications in the nature of the instability. Although the threshold for the instability in the two formalisms is the same, the kinetic growth rate and the unstable range in wave-number space can be larger or smaller than the MHD values depending on the ratio between the thermal speed, Alfven speed, and flow speed. When the thermal speed is much larger than the flow speed and the flow speed is larger than the Alfven speed, the kinetic formalism gives a larger maximum growth rate and broader unstable range in wave-number space. In this regime, the normalized wave number for instability can be larger than unity, while in MHD it is always less than unity. The normal mode profile in the kinetic case has a wider spatial extent across the shear layer.

14 CFR 29.675 - Stops.

Code of Federal Regulations, 2013 CFR

2013-01-01

... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Design and Construction Control Systems § 29.675 Stops. (a) Each control system must have stops that positively limit the range of motionof the pilot's controls. (b) Each stop must be located in the system so that the range of travel of its control is not appreciably...

Fricative-stop coarticulation: acoustic and perceptual evidence.

PubMed

Repp, B H; Mann, V A

1982-06-01

Eight native speakers of American English each produced ten tokens of all possible CV, FCV, and VFCV utterances with V = [a] or [u], F = [s] or [integral of], and C = [t] or [k]. Acoustic analysis showed that the formant transition onsets following the stop consonant release were systematically influenced by the preceding fricative, although there were large individual differences. In particular, F3 and F4 tended to be higher following [s] than following [integral of]. The coarticulatory effects were equally large in FCV (e.g.,/sta/) and VFCV (e.g.,/asda/) utterances; that is, they were not reduced when a syllable boundary intervened between fricative and stop. In a parallel perceptual study, the CV portions of these utterances (with release bursts removed to provoke errors) were presented to listeners for identification of the stop consonant. The pattern of place-of-articulation confusions, too, revealed coarticulatory effects due to the excised fricative context.

Terminal iterative learning control based station stop control of a train

NASA Astrophysics Data System (ADS)

Hou, Zhongsheng; Wang, Yi; Yin, Chenkun; Tang, Tao

2011-07-01

The terminal iterative learning control (TILC) method is introduced for the first time into the field of train station stop control and three TILC-based algorithms are proposed in this study. The TILC-based train station stop control approach utilises the terminal stop position error in previous braking process to update the current control profile. The initial braking position, or the braking force, or their combination is chosen as the control input, and corresponding learning law is developed. The terminal stop position error of each algorithm is guaranteed to converge to a small region related with the initial offset of braking position with rigorous analysis. The validity of the proposed algorithms is verified by illustrative numerical examples.

k-OptForce: Integrating Kinetics with Flux Balance Analysis for Strain Design

PubMed Central

Chowdhury, Anupam; Zomorrodi, Ali R.; Maranas, Costas D.

2014-01-01

Computational strain design protocols aim at the system-wide identification of intervention strategies for the enhanced production of biochemicals in microorganisms. Existing approaches relying solely on stoichiometry and rudimentary constraint-based regulation overlook the effects of metabolite concentrations and substrate-level enzyme regulation while identifying metabolic interventions. In this paper, we introduce k-OptForce, which integrates the available kinetic descriptions of metabolic steps with stoichiometric models to sharpen the prediction of intervention strategies for improving the bio-production of a chemical of interest. It enables identification of a minimal set of interventions comprised of both enzymatic parameter changes (for reactions with available kinetics) and reaction flux changes (for reactions with only stoichiometric information). Application of k-OptForce to the overproduction of L-serine in E. coli and triacetic acid lactone (TAL) in S. cerevisiae revealed that the identified interventions tend to cause less dramatic rearrangements of the flux distribution so as not to violate concentration bounds. In some cases the incorporation of kinetic information leads to the need for additional interventions as kinetic expressions render stoichiometry-only derived interventions infeasible by violating concentration bounds, whereas in other cases the kinetic expressions impart flux changes that favor the overproduction of the target product thereby requiring fewer direct interventions. A sensitivity analysis on metabolite concentrations shows that the required number of interventions can be significantly affected by changing the imposed bounds on metabolite concentrations. Furthermore, k-OptForce was capable of finding non-intuitive interventions aiming at alleviating the substrate-level inhibition of key enzymes in order to enhance the flux towards the product of interest, which cannot be captured by stoichiometry-alone analysis. This study paves

Stop feeling: inhibition of emotional interference following stop-signal trials.

PubMed

Kalanthroff, Eyal; Cohen, Noga; Henik, Avishai

2013-01-01

Although a great deal of literature has been dedicated to the mutual links between emotion and the selective attention component of executive control, there is very little data regarding the links between emotion and the inhibitory component of executive control. In the current study we employed an emotional stop-signal task in order to examine whether emotion modulates and is modulated by inhibitory control. Results replicated previous findings showing reduced inhibitory control [longer stop-signal reaction time (SSRT)] following negative, compared to neutral pictures. Most importantly, results show decreased emotional interference following stop-signal trials. These results show that the inhibitory control component of executive control can serve to decrease emotional effects. We suggest that inhibitory control and emotion have a two-way connection in which emotion disrupts inhibitory control and activation of inhibitory control disrupts emotion.

14 CFR 27.675 - Stops.

Code of Federal Regulations, 2013 CFR

2013-01-01

... STANDARDS: NORMAL CATEGORY ROTORCRAFT Design and Construction Control Systems § 27.675 Stops. (a) Each control system must have stops that positively limit the range of motion of the pilot's controls. (b) Each stop must be located in the system so that the range of travel of its control is not appreciably...

Optimally Repeatable Kinetic Model Variant for Myocardial Blood Flow Measurements with 82Rb PET.

PubMed

Ocneanu, Adrian F; deKemp, Robert A; Renaud, Jennifer M; Adler, Andy; Beanlands, Rob S B; Klein, Ran

2017-01-01

Purpose. Myocardial blood flow (MBF) quantification with 82 Rb positron emission tomography (PET) is gaining clinical adoption, but improvements in precision are desired. This study aims to identify analysis variants producing the most repeatable MBF measures. Methods. 12 volunteers underwent same-day test-retest rest and dipyridamole stress imaging with dynamic 82 Rb PET, from which MBF was quantified using 1-tissue-compartment kinetic model variants: (1) blood-pool versus uptake region sampled input function (Blood/Uptake-ROI), (2) dual spillover correction (SOC-On/Off), (3) right blood correction (RBC-On/Off), (4) arterial blood transit delay (Delay-On/Off), and (5) distribution volume (DV) constraint (Global/Regional-DV). Repeatability of MBF, stress/rest myocardial flow reserve (MFR), and stress/rest MBF difference (ΔMBF) was assessed using nonparametric reproducibility coefficients (RPC np = 1.45 × interquartile range). Results. MBF using SOC-On, RVBC-Off, Blood-ROI, Global-DV, and Delay-Off was most repeatable for combined rest and stress: RPC np = 0.21 mL/min/g (15.8%). Corresponding MFR and ΔMBF RPC np were 0.42 (20.2%) and 0.24 mL/min/g (23.5%). MBF repeatability improved with SOC-On at stress ( p < 0.001) and tended to improve with RBC-Off at both rest and stress ( p < 0.08). DV and ROI did not significantly influence repeatability. The Delay-On model was overdetermined and did not reliably converge. Conclusion. MBF and MFR test-retest repeatability were the best with dual spillover correction, left atrium blood input function, and global DV.

Miniaturized flow injection analysis system

DOEpatents

Folta, James A.

1997-01-01

A chemical analysis technique known as flow injection analysis, wherein small quantities of chemical reagents and sample are intermixed and reacted within a capillary flow system and the reaction products are detected optically, electrochemically, or by other means. A highly miniaturized version of a flow injection analysis system has been fabricated utilizing microfabrication techniques common to the microelectronics industry. The microflow system uses flow capillaries formed by etching microchannels in a silicon or glass wafer followed by bonding to another wafer, commercially available microvalves bonded directly to the microflow channels, and an optical absorption detector cell formed near the capillary outlet, with light being both delivered and collected with fiber optics. The microflow system is designed mainly for analysis of liquids and currently measures 38.times.25.times.3 mm, but can be designed for gas analysis and be substantially smaller in construction.

Deciding where to Stop Speaking

ERIC Educational Resources Information Center

Tydgat, Ilse; Stevens, Michael; Hartsuiker, Robert J.; Pickering, Martin J.

2011-01-01

This study investigated whether speakers strategically decide where to interrupt their speech once they need to stop. We conducted four naming experiments in which pictures of colored shapes occasionally changed in color or shape. Participants then merely had to stop (Experiment 1); or they had to stop and resume speech (Experiments 2-4). They…

Phase diagram for inertial granular flows.

PubMed

DeGiuli, E; McElwaine, J N; Wyart, M

2016-07-01

Flows of hard granular materials depend strongly on the interparticle friction coefficient μ_{p} and on the inertial number I, which characterizes proximity to the jamming transition where flow stops. Guided by numerical simulations, we derive the phase diagram of dense inertial flow of spherical particles, finding three regimes for 10^{-4}≲I≲10^{-1}: frictionless, frictional sliding, and rolling. These are distinguished by the dominant means of energy dissipation, changing from collisional to sliding friction, and back to collisional, as μ_{p} increases from zero at constant I. The three regimes differ in their kinetics and rheology; in particular, the velocity fluctuations and the stress ratio both display nonmonotonic behavior with μ_{p}, corresponding to transitions between the three regimes of flow. We rationalize the phase boundaries between these regimes, show that energy balance yields scaling relations between microscopic properties in each of them, and derive the strain scale at which particles lose memory of their velocity. For the frictional sliding regime most relevant experimentally, we find for I≥10^{-2.5} that the growth of the macroscopic friction μ(I) with I is induced by an increase of collisional dissipation. This implies in that range that μ(I)-μ(0)∼I^{1-2b}, where b≈0.2 is an exponent that characterizes both the dimensionless velocity fluctuations L∼I^{-b} and the density of sliding contacts χ∼I^{b}.

14 CFR 29.675 - Stops.

Code of Federal Regulations, 2010 CFR

2010-01-01

... stop must be located in the system so that the range of travel of its control is not appreciably...) Stops that are appropriate to the blade design must be provided to limit travel of the blade about its hinge points; and (2) There must be means to keep the blade from hitting the droop stops during any...

14 CFR 27.675 - Stops.

Code of Federal Regulations, 2010 CFR

2010-01-01

... stop must be located in the system so that the range of travel of its control is not appreciably...) Stops that are appropriate to the blade design must be provided to limit travel of the blade about its hinge points; and (2) There must be means to keep the blade from hitting the droop stops during any...

Kinetic Analysis of Horizontal Plyometric Exercise Intensity.

PubMed

Kossow, Andrew J; Ebben, William P

2018-05-01

Kossow, AJ, DeChiara, TG, Neahous, SM, and Ebben, WP. Kinetic analysis of horizontal plyometric exercise intensity. J Strength Cond Res 32(5): 1222-1229, 2018-Plyometric exercises are frequently performed as part of a strength and conditioning program. Most studies assessed the kinetics of plyometric exercises primarily performed in the vertical plane. The purpose of this study was to evaluate the multiplanar kinetic characteristics of a variety of plyometric exercises, which have a significant horizontal component. This study also sought to assess sex differences in the intensity progression of these exercises. Ten men and 10 women served as subjects. The subjects performed a variety of plyometric exercises including the double-leg hop, standing long jump, single-leg standing long jump, bounding, skipping, power skipping, cone hops, and 45.72-cm hurdle hops. Subjects also performed the countermovement jump for comparison. All plyometric exercises were evaluated using a force platform. Dependent variables included the landing rate of force development and landing ground reaction forces for each exercise in the vertical, frontal, and sagittal planes. A 2-way mixed analysis of variance with repeated-measures for plyometric exercise type demonstrated main effects for exercise type for all dependent variables (p ≤ 0.001). There was no significant interaction between plyometric exercise type and sex for any of the variable assessed. Bonferroni-adjusted pairwise comparisons identified a number of differences between the plyometric exercises for the dependent variables assessed (p ≤ 0.05). These findings should be used to guide practitioners in the progression of plyometric exercise intensity, and thus program design, for those who require significant horizontal power in their sport.

Diageo's 'Stop Out of Control Drinking' Campaign in Ireland: An Analysis

PubMed Central

Petticrew, Mark; Fitzgerald, Niamh; Durand, Mary Alison; Knai, Cécile; Davoren, Martin; Perry, Ivan

2016-01-01

Background It has been argued that the alcohol industry uses corporate social responsibility activities to influence policy and undermine public health, and that every opportunity should be taken to scrutinise such activities. This study analyses a controversial Diageo-funded ‘responsible drinking’ campaign (“Stop out of Control Drinking”, or SOOCD) in Ireland. The study aims to identify how the campaign and its advisory board members frame and define (i) alcohol-related harms, and their causes, and (ii) possible solutions. Methods Documentary analysis of SOOCD campaign material. This includes newspaper articles (n = 9), media interviews (n = 11), Facebook posts (n = 92), and Tweets (n = 340) produced by the campaign and by board members. All material was coded inductively, and a thematic analysis undertaken, with codes aggregated into sub-themes. Results The SOOCD campaign utilises vague or self-defined concepts of ‘out of control’ and ‘moderate’ drinking, tending to present alcohol problems as behavioural rather than health issues. These are also unquantified with respect to actual drinking levels. It emphasises alcohol-related antisocial behaviour among young people, particularly young women. In discussing solutions to alcohol-related problems, it focuses on public opinion rather than on scientific evidence, and on educational approaches and information provision, misrepresenting these as effective. “Moderate drinking” is presented as a behavioural issue (“negative drinking behaviours”), rather than as a health issue. Conclusions The ‘Stop Out of Control Drinking’ campaign frames alcohol problems and solutions in ways unfavourable to public health, and closely reflects other Diageo Corporate Social Responsibility (CSR) activity, as well as alcohol and tobacco industry strategies more generally. This framing, and in particular the framing of alcohol harms as a behavioural issue, with the implication that consumption should be guided

Diageo's 'Stop Out of Control Drinking' Campaign in Ireland: An Analysis.

PubMed

Petticrew, Mark; Fitzgerald, Niamh; Durand, Mary Alison; Knai, Cécile; Davoren, Martin; Perry, Ivan

2016-01-01

It has been argued that the alcohol industry uses corporate social responsibility activities to influence policy and undermine public health, and that every opportunity should be taken to scrutinise such activities. This study analyses a controversial Diageo-funded 'responsible drinking' campaign ("Stop out of Control Drinking", or SOOCD) in Ireland. The study aims to identify how the campaign and its advisory board members frame and define (i) alcohol-related harms, and their causes, and (ii) possible solutions. Documentary analysis of SOOCD campaign material. This includes newspaper articles (n = 9), media interviews (n = 11), Facebook posts (n = 92), and Tweets (n = 340) produced by the campaign and by board members. All material was coded inductively, and a thematic analysis undertaken, with codes aggregated into sub-themes. The SOOCD campaign utilises vague or self-defined concepts of 'out of control' and 'moderate' drinking, tending to present alcohol problems as behavioural rather than health issues. These are also unquantified with respect to actual drinking levels. It emphasises alcohol-related antisocial behaviour among young people, particularly young women. In discussing solutions to alcohol-related problems, it focuses on public opinion rather than on scientific evidence, and on educational approaches and information provision, misrepresenting these as effective. "Moderate drinking" is presented as a behavioural issue ("negative drinking behaviours"), rather than as a health issue. The 'Stop Out of Control Drinking' campaign frames alcohol problems and solutions in ways unfavourable to public health, and closely reflects other Diageo Corporate Social Responsibility (CSR) activity, as well as alcohol and tobacco industry strategies more generally. This framing, and in particular the framing of alcohol harms as a behavioural issue, with the implication that consumption should be guided only by self-defined limits, may not have been recognised by all

Probing fast ribozyme reactions under biological conditions with rapid quench-flow kinetics.

PubMed

Bingaman, Jamie L; Messina, Kyle J; Bevilacqua, Philip C

2017-05-01

Reaction kinetics on the millisecond timescale pervade the protein and RNA fields. To study such reactions, investigators often perturb the system with abiological solution conditions or substrates in order to slow the rate to timescales accessible by hand mixing; however, such perturbations can change the rate-limiting step and obscure key folding and chemical steps that are found under biological conditions. Mechanical methods for collecting data on the millisecond timescale, which allow these perturbations to be avoided, have been developed over the last few decades. These methods are relatively simple and can be conducted on affordable and commercially available instruments. Here, we focus on using the rapid quench-flow technique to study the fast reaction kinetics of RNA enzymes, or ribozymes, which often react on the millisecond timescale under biological conditions. Rapid quench of ribozymes is completely parallel to the familiar hand-mixing approach, including the use of radiolabeled RNAs and fractionation of reactions on polyacrylamide gels. We provide tips on addressing and preventing common problems that can arise with the rapid-quench technique. Guidance is also offered on ensuring the ribozyme is properly folded and fast-reacting. We hope that this article will facilitate the broader use of rapid-quench instrumentation to study fast-reacting ribozymes under biological reaction conditions. Copyright © 2017 Elsevier Inc. All rights reserved.

Miniaturized flow injection analysis system

DOEpatents

Folta, J.A.

1997-07-01

A chemical analysis technique known as flow injection analysis is described, wherein small quantities of chemical reagents and sample are intermixed and reacted within a capillary flow system and the reaction products are detected optically, electrochemically, or by other means. A highly miniaturized version of a flow injection analysis system has been fabricated utilizing microfabrication techniques common to the microelectronics industry. The microflow system uses flow capillaries formed by etching microchannels in a silicon or glass wafer followed by bonding to another wafer, commercially available microvalves bonded directly to the microflow channels, and an optical absorption detector cell formed near the capillary outlet, with light being both delivered and collected with fiber optics. The microflow system is designed mainly for analysis of liquids and currently measures 38{times}25{times}3 mm, but can be designed for gas analysis and be substantially smaller in construction. 9 figs.

Heterogeneity of human adipose blood flow

PubMed Central

Levitt, David G

2007-01-01

Background The long time pharmacokinetics of highly lipid soluble compounds is dominated by blood-adipose tissue exchange and depends on the magnitude and heterogeneity of adipose blood flow. Because the adipose tissue is an infinite sink at short times (hours), the kinetics must be followed for days in order to determine if the adipose perfusion is heterogeneous. The purpose of this paper is to quantitate human adipose blood flow heterogeneity and determine its importance for human pharmacokinetics. Methods The heterogeneity was determined using a physiologically based pharmacokinetic model (PBPK) to describe the 6 day volatile anesthetic data previously published by Yasuda et. al. The analysis uses the freely available software PKQuest and incorporates perfusion-ventilation mismatch and time dependent parameters that varied from the anesthetized to the ambulatory period. This heterogeneous adipose perfusion PBPK model was then tested by applying it to the previously published cannabidiol data of Ohlsson et. al. and the cannabinol data of Johansson et. al. Results The volatile anesthetic kinetics at early times have only a weak dependence on adipose blood flow while at long times the pharmacokinetics are dominated by the adipose flow and are independent of muscle blood flow. At least 2 adipose compartments with different perfusion rates (0.074 and 0.014 l/kg/min) were needed to describe the anesthetic data. This heterogeneous adipose PBPK model also provided a good fit to the cannabinol data. Conclusion Human adipose blood flow is markedly heterogeneous, varying by at least 5 fold. This heterogeneity significantly influences the long time pharmacokinetics of the volatile anesthetics and tetrahydrocannabinol. In contrast, using this same PBPK model it can be shown that the long time pharmacokinetics of the persistent lipophilic compounds (dioxins, PCBs) do not depend on adipose blood flow. The ability of the same PBPK model to describe both the anesthetic and

Effects of stop-signal probability in the stop-signal paradigm: the N2/P3 complex further validated.

PubMed

Ramautar, J R; Kok, A; Ridderinkhof, K R

2004-11-01

The aim of this study was to examine the effects of frequency of occurrence of stop signals in the stop-signal paradigm. Presenting stop signals less frequently resulted in faster reaction times to the go stimulus and a lower probability of inhibition. Also, go stimuli elicited larger and somewhat earlier P3 responses when stop signals occurred less frequently. Since the amplitude effect was more pronounced on trials when go signals were followed by fast than slow reactions, it probably reflected a stronger set to produce fast responses. N2 and P3 components to stop signals were observed to be larger and of longer latency when stop signals occurred less frequently. The amplitude enhancement of these N2 and P3 components were more pronounced for unsuccessful than for successful stop-signal trials. Moreover, the successfully inhibited stop trials elicited a frontocentral P3 whereas unsuccessfully inhibited stop trials elicited a more posterior P3 that resembled the classical P3b. P3 amplitude in the unsuccessfully inhibited condition also differed between waveforms synchronized with the stop signal and waveforms synchronized with response onset whereas N2 amplitude did not. Taken together these findings suggest that N2 reflected a greater significance of failed inhibitions after low probability stop signals while P3 reflected continued processing of the erroneous response after response execution.

In-depth investigation on the pyrolysis kinetics of raw biomass. Part I: kinetic analysis for the drying and devolatilization stages.

PubMed

Chen, Dengyu; Zheng, Yan; Zhu, Xifeng

2013-03-01

An in-depth investigation was conducted on the kinetic analysis of raw biomass using thermogravimetric analysis (TGA), from which the activation energy distribution of the whole pyrolysis process was obtained. Two different stages, namely, drying stage (Stage I) and devolatilization stage (Stage II), were shown in the pyrolysis process in which the activation energy values changed with conversion. The activation energy at low conversions (below 0.15) in the drying stage ranged from 10 to 30 kJ/mol. Such energy was calculated using the nonisothermal Page model, known as the best model to describe the drying kinetics. Kinetic analysis was performed using the distributed activation energy model in a wide range of conversions (0.15-0.95) in the devolatilization stage. The activation energy first ranged from 178.23 to 245.58 kJ/mol and from 159.66 to 210.76 kJ/mol for corn straw and wheat straw, respectively, then increasing remarkably with an irregular trend. Copyright © 2012 Elsevier Ltd. All rights reserved.

Flowing holographic anyonic superfluid

NASA Astrophysics Data System (ADS)

Jokela, Niko; Lifschytz, Gilad; Lippert, Matthew

2014-10-01

We investigate the flow of a strongly coupled anyonic superfluid based on the holographic D3-D7' probe brane model. By analyzing the spectrum of fluctuations, we find the critical superfluid velocity, as a function of the temperature, at which the flow stops being dissipationless when flowing past a barrier. We find that at a larger velocity the flow becomes unstable even in the absence of a barrier.

Graph-based analysis of kinetics on multidimensional potential-energy surfaces.

PubMed

Okushima, T; Niiyama, T; Ikeda, K S; Shimizu, Y

2009-09-01

The aim of this paper is twofold: one is to give a detailed description of an alternative graph-based analysis method, which we call saddle connectivity graph, for analyzing the global topography and the dynamical properties of many-dimensional potential-energy landscapes and the other is to give examples of applications of this method in the analysis of the kinetics of realistic systems. A Dijkstra-type shortest path algorithm is proposed to extract dynamically dominant transition pathways by kinetically defining transition costs. The applicability of this approach is first confirmed by an illustrative example of a low-dimensional random potential. We then show that a coarse-graining procedure tailored for saddle connectivity graphs can be used to obtain the kinetic properties of 13- and 38-atom Lennard-Jones clusters. The coarse-graining method not only reduces the complexity of the graphs, but also, with iterative use, reveals a self-similar hierarchical structure in these clusters. We also propose that the self-similarity is common to many-atom Lennard-Jones clusters.

Should I Stop or Should I Go? The Role of Associations and Expectancies

PubMed Central

2015-01-01

Following exposure to consistent stimulus–stop mappings, response inhibition can become automatized with practice. What is learned is less clear, even though this has important theoretical and practical implications. A recent analysis indicates that stimuli can become associated with a stop signal or with a stop goal. Furthermore, expectancy may play an important role. Previous studies that have used stop or no-go signals to manipulate stimulus–stop learning cannot distinguish between stimulus-signal and stimulus-goal associations, and expectancy has not been measured properly. In the present study, participants performed a task that combined features of the go/no-go task and the stop-signal task in which the stop-signal rule changed at the beginning of each block. The go and stop signals were superimposed over 40 task-irrelevant images. Our results show that participants can learn direct associations between images and the stop goal without mediation via the stop signal. Exposure to the image-stop associations influenced task performance during training, and expectancies measured following task completion or measured within the task. But, despite this, we found an effect of stimulus–stop learning on test performance only when the task increased the task-relevance of the images. This could indicate that the influence of stimulus–stop learning on go performance is strongly influenced by attention to both task-relevant and task-irrelevant stimulus features. More generally, our findings suggest a strong interplay between automatic and controlled processes. PMID:26322688

Hip Kinematics During a Stop-Jump Task in Patients With Chronic Ankle Instability

PubMed Central

Brown, Cathleen N.; Padua, Darin A.; Marshall, Stephen W.; Guskiewicz, Kevin M.

2011-01-01

Context: Chronic ankle instability (CAI) commonly develops after lateral ankle sprain. Movement pattern differences at proximal joints may play a role in instability. Objective: To determine whether people with mechanical ankle instability (MAI) or functional ankle instability (FAI) exhibited different hip kinematics and kinetics during a stop-jump task compared with “copers.” Design: Cross-sectional study. Setting: Sports medicine research laboratory. Patients or Other Participants: Sixty-three recreational athletes, 21 (11 men, 10 women) per group, matched for sex, age, height, mass, and limb dominance. All participants reported a history of a moderate to severe ankle sprain. The participants with MAI and FAI reported 2 or more episodes of giving way at the ankle in the last year and decreased functional ability; copers did not. The MAI group demonstrated clinically positive anterior drawer and talar tilt tests, whereas the FAI group and copers did not. Intervention(s): Participants performed a maximum-speed approach run and a 2-legged stop jump followed by a maximum vertical jump. Main Outcome Measure(s): An electromagnetic tracking device synchronized with a force plate collected data during the stance phase of a 2-legged stop jump. Hip motion was measured from initial contact to takeoff into the vertical jump. Group differences in hip kinematics and kinetics were assessed. Results: The MAI group demonstrated greater hip flexion at initial contact and at maximum (P = .029 and P = .017, respectively) and greater hip external rotation at maximum (P = .035) than the coper group. The MAI group also demonstrated greater hip flexion displacement than both the FAI (P = .050) and coper groups (P = .006). No differences were noted between the FAI and coper groups in hip kinematic variables or among any of the groups in ground reaction force variables. Conclusions: The MAI group demonstrated different hip kinematics than the FAI and coper groups. Proximal joint

From the Orbital Implementation of the Kinetic Theory to the Polarization Propagator Method in the Study of Energy Deposition Problems

NASA Astrophysics Data System (ADS)

Cabrera-Trujillo, R.; Cruz, S. A.; Soullard, J.

The energy deposited by swift atomic-ion projectiles when colliding with a given target material has been a topic of special scientific interest for the last century due to the variety of applications of ion beams in modern materials technology as well as in medical physics. In this work, we summarize our contributions in this field as a consequence of fruitful discussions and enlightening ideas put forward by one of the main protagonists in stopping power theory during the last three decades: Jens Oddershede. Our review, mainly motivated by Jens' work, evolves from the extension of the orbital implementation of the kinetic theory of stopping through the orbital local plasma approximation, its use in studies of orbital and total mean excitation energies for the study of atomic and molecular stopping until the advances on generalized oscillator strength and sum rules in the study of stopping cross sections. Finally, as a tribute to Jens' work on the orbital implementation of the kinetic theory of stopping, in this work we present new results on the use of the Thomas-Fermi-Dirac-Weizsäcker density functional for the calculation of orbital and total atomic mean excitation energies. The results are applied to free-atoms and and extension is done to confined atoms - taking Si as an example - whereby target pressure effects on stopping are derived. Hence, evidence of the far-yield of Jens' ideas is given.

Influence of exercise intensity on skeletal muscle blood flow, O2 extraction and O2 uptake on-kinetics

PubMed Central

Jones, Andrew M; Krustrup, Peter; Wilkerson, Daryl P; Berger, Nicolas J; Calbet, José A; Bangsbo, Jens

2012-01-01

Following the start of low-intensity exercise in healthy humans, it has been established that the kinetics of skeletal muscle O2 delivery is faster than, and does not limit, the kinetics of muscle O2 uptake (). Direct data are lacking, however, on the question of whether O2 delivery might limit kinetics during high-intensity exercise. Using multiple exercise transitions to enhance confidence in parameter estimation, we therefore investigated the kinetics of, and inter-relationships between, muscle blood flow (), a– difference and following the onset of low-intensity (LI) and high-intensity (HI) exercise. Seven healthy males completed four 6 min bouts of LI and four 6 min bouts of HI single-legged knee-extension exercise. Blood was frequently drawn from the femoral artery and vein during exercise and , a– difference and were calculated and subsequently modelled using non-linear regression techniques. For LI, the fundamental component mean response time (MRTp) for kinetics was significantly shorter than kinetics (mean ± SEM, 18 ± 4 vs. 30 ± 4 s; P < 0.05), whereas for HI, the MRTp for and was not significantly different (27 ± 5 vs. 29 ± 4 s, respectively). There was no difference in the MRTp for either or between the two exercise intensities; however, the MRTp for a– difference was significantly shorter for HI compared with LI (17 ± 3 vs. 28 ± 4 s; P < 0.05). Excess O2, i.e. oxygen not taken up (×), was significantly elevated within the first 5 s of exercise and remained unaltered thereafter, with no differences between LI and HI. These results indicate that bulk O2 delivery does not limit kinetics following the onset of LI or HI knee-extension exercise. PMID:22711961

The Influence of End-Stop Buffer Characteristics on the Severity of Suspension Seat End-Stop Impacts

NASA Astrophysics Data System (ADS)

Wu, X.; Griffin, M. J.

1998-08-01

Suspension seat end-stop impacts may be a source of increased risk of injury for the drivers of some machines and work vehicles, such as off-road vehicles. Most suspension seats use rubber buffers to reduce the severity of end-stop impacts, but they still result in a high magnitude of acceleration being transmitted to drivers when an end-stop impact occurs. An experimental study has been conducted to investigate the effect of buffer stiffness and buffer damping on the severity of end-stop impacts. The results show that the end-stop impact performance of suspension seats with only bottom buffers can be improved by the use of both top and bottom buffers. The force-deflection characteristics of rubber buffers had a significant influence on the severity of end-stop impacts. The optimum buffer should have medium stiffness which is nearly linear and occurs over a long deflection, without being compressed to its high stiffness stage. It is shown, theoretically, that buffer damping is capable of significantly reducing the severity of end-stop impacts. However, since current rubber material provides only low damping, alternative materials to those in current use, or either passive or active damping devices, are required.

Surface kinetics for catalytic combustion of hydrogen-air mixtures on platinum at atmospheric pressure in stagnation flows

NASA Astrophysics Data System (ADS)

Ikeda, H.; Sato, J.; Williams, F. A.

1995-03-01

Experimental studies of the combustion of premixed hydrogen-air mixtures impinging on the surface of a heated platinum plate at normal atmospheric pressure were performed and employed to draw inferences concerning surface reaction mechanisms and rate parameters applicable under practical conditions of catalytic combustion. Plate and gas temperatures were measured by thermocouples, and concentration profiles of major stable species in the gas were measured by gas-chromatographic analyses of samples withdrawn by quartz probes. In addition, ignition and extinction phenomena were recorded and interpreted with the aid of a heat balance at the surface and a previous flow-field analysis of the stagnation-point boundary layer. From the experimental and theoretical results, conclusions were drawn concerning the surface chemical-kinetic mechanisms and values of the elementary rate parameters that are consistent with the observations. In particular, the activation energy for the surface oxidation step H + OH → H 2O is found to be appreciably less at these high surface coverages than in the low-coverage limit.

A Fokker-Planck based kinetic model for diatomic rarefied gas flows

NASA Astrophysics Data System (ADS)

Gorji, M. Hossein; Jenny, Patrick

2013-06-01

A Fokker-Planck based kinetic model is presented here, which also accounts for internal energy modes characteristic for diatomic gas molecules. The model is based on a Fokker-Planck approximation of the Boltzmann equation for monatomic molecules, whereas phenomenological principles were employed for the derivation. It is shown that the model honors the equipartition theorem in equilibrium and fulfills the Landau-Teller relaxation equations for internal degrees of freedom. The objective behind this approximate kinetic model is accuracy at reasonably low computational cost. This can be achieved due to the fact that the resulting stochastic differential equations are continuous in time; therefore, no collisions between the simulated particles have to be calculated. Besides, because of the devised energy conserving time integration scheme, it is not required to resolve the collisional scales, i.e., the mean collision time and the mean free path of molecules. This, of course, gives rise to much more efficient simulations with respect to other particle methods, especially the conventional direct simulation Monte Carlo (DSMC), for small and moderate Knudsen numbers. To examine the new approach, first the computational cost of the model was compared with respect to DSMC, where significant speed up could be obtained for small Knudsen numbers. Second, the structure of a high Mach shock (in nitrogen) was studied, and the good performance of the model for such out of equilibrium conditions could be demonstrated. At last, a hypersonic flow of nitrogen over a wedge was studied, where good agreement with respect to DSMC (with level to level transition model) for vibrational and translational temperatures is shown.

Numerical analysis of flows of rarefied gases in long channels with octagonal cross section shapes

NASA Astrophysics Data System (ADS)

Szalmas, L.

2014-12-01

Isothermal, pressure driven rarefied gas flows through long channels with octagonal cross section shapes are analyzed computationally. The capillary is between inlet and outlet reservoirs. The cross section is constant along the axial direction. The boundary condition at the solid-gas interface is assumed to be diffuse reflection. Since the channel is long, the gaseous velocity is small compared to the average molecular speed. Consequently, a linearized description can be used. The flow is described by the linearized Bhatnagar-Gross-Krook kinetic model. The solution of the problem is divided into two stages. First, the local flow field is determined by assuming the local pressure gradient. Secondly, the global flow behavior is deduced by the consideration of the conservation of the mass along the axis of the capillary. The kinetic equation is solved by the discrete velocity method on the cross section. Both spatial and velocity spaces are discretized. A body fitted rectangular grid is used for the spatial space. Near the boundary, first-order, while in the interior part of the flow domain, second-order finite-differences are applied to approximate the spatial derivatives. This combination results into an efficient and straightforward numerical treatment. The velocity space is represented by a Gauss-Legendre quadrature. The kinetic equation is solved in an iterative manner. The local dimensionless flow rate is calculated and tabulated for a wide range of the gaseous rarefaction for octagonal cross sections with various geometrical parameters. It exhibits the Knudsen minimum phenomenon. The flow rates in the octagonal channel are compared to those through capillaries with circular and square cross sections. Typical velocity profiles are also shown. The mass flow rate and the distribution of the pressure are determined and presented for global pressure driven flows.

Cutting-edge analysis of extracellular microparticles using ImageStream(X) imaging flow cytometry.

PubMed

Headland, Sarah E; Jones, Hefin R; D'Sa, Adelina S V; Perretti, Mauro; Norling, Lucy V

2014-06-10

Interest in extracellular vesicle biology has exploded in the past decade, since these microstructures seem endowed with multiple roles, from blood coagulation to inter-cellular communication in pathophysiology. In order for microparticle research to evolve as a preclinical and clinical tool, accurate quantification of microparticle levels is a fundamental requirement, but their size and the complexity of sample fluids present major technical challenges. Flow cytometry is commonly used, but suffers from low sensitivity and accuracy. Use of Amnis ImageStream(X) Mk II imaging flow cytometer afforded accurate analysis of calibration beads ranging from 1 μm to 20 nm; and microparticles, which could be observed and quantified in whole blood, platelet-rich and platelet-free plasma and in leukocyte supernatants. Another advantage was the minimal sample preparation and volume required. Use of this high throughput analyzer allowed simultaneous phenotypic definition of the parent cells and offspring microparticles along with real time microparticle generation kinetics. With the current paucity of reliable techniques for the analysis of microparticles, we propose that the ImageStream(X) could be used effectively to advance this scientific field.

Flow cytometric kinetic assay of the activity of Na+/H+ antiporter in mammalian cells.

PubMed

Dolz, María; O'Connor, José-Enrique; Lequerica, Juan L

2004-10-01

The Na(+)/H(+) exchanger (NHE) of mammalian cells is an integral membrane protein that extrudes H(+) ion in exchange for extracellular Na(+) and plays a crucial role in the regulation of intracellular pH (pHi). Thus, when pHi is lowered, NHE extrudes protons at a rate depending of pHi that can be expressed as pH units/s. To abolish the activity of other cellular pH-restoring systems, cells were incubated in bicarbonate-free Dulbecco's modified Eagle's medium buffered with HEPES. Flow cytometry was used to determine pHi with 2',7'-bis-(2-carboxyethyl)-5-(and-6)-carboxyfluorescein acetoxymethyl ester or 5-(and-6)-carboxy SNARF-1 acetoxymethyl ester acetate, and the appropriate fluorescence ratios were measured. The calibration of fluorescence ratios versus pHi was established by using ionophore nigericin. The activity of NHE was calculated by a kinetic flow cytometric assay as the slope at time 0 of the best-fit curve of pHi recovery versus time after intracellular acidification with a pulse of exogenous sodium propionate. The kinetic method allowed determination of the pHi-dependent activity of NHE in cell lines and primary cell cultures. NHE activity values were demonstrated to be up to 0.016 pH units/s within the pHi range of 7.3 to 6.3. The inhibition of NHE activity by the specific inhibitor ethyl isopropyl amiloride was easily detected by this method. The assay conditions can be used to relate variations in pHi with the activity of NHE and provide a standardized method to compare between different cells, inhibitors, models of ischemia by acidification, and other relevant experimental or clinical situations.

Study of argon-oxygen flowing afterglow

NASA Astrophysics Data System (ADS)

Mazánková, V.; Trunec, D.; Navrátil, Z.; Raud, J.; Krčma, F.

2016-06-01

The reaction kinetics in argon-oxygen flowing afterglow (post-discharge) was studied using NO titration and optical emission spectroscopy. The flowing DC post-discharge in argon-oxygen mixture was created in a quartz tube at the total gas pressure of 1000 Pa and discharge power of 90 W. The O(3P) atom concentration was determined by NO titration at different places along the flow tube. The optical emission spectra were also measured along the flow tube. Argon spectral lines, oxygen lines at 777 nm and 844.6 nm and atmospheric A-band of {{\\text{O}}2} were identified in the spectra. Rotational temperature of {{\\text{O}}2} was determined from the oxygen atmospheric A-band and also the outer wall temperature of the flow tube was measured by a thermocouple and by an IR thermometer. A zero-dimensional kinetic model for the reactions in the afterglow was developed. This model allows the time dependencies of particle concentrations and of gas temperature to be calculated. The wall recombination probability for O(3P) atoms {γ\\text{O≤ft(\\text{P}\\right)}}=≤ft(1.63+/- 0.06\\right)× {{10}-3} and wall deactivation probability for {{\\text{O}}2} (b {{}1}Σ\\text{g}+ ) molecules {γ{{\\text{O}2}≤ft(\\text{b}\\right)}}=≤ft(1.7+/- 0.1\\right)× {{10}-3} were determined from the fit of model results to experimental data. Sensitivity analysis was applied for the analysis of kinetic model in order to reveal the most important reactions in the model. The calculated gas temperature increases in the afterglow and then decreases at later afterglow times after reaching the maximum. This behavior is in good agreement with the spatial rotational temperature dependence. A similar trend was also observed at outer wall temperature measurement.

Influence of bus stop with left-turn lines between two adjacent signalized intersections

NASA Astrophysics Data System (ADS)

Pang, Ming-Bao; Ye, Lan-Hang; Pei, Ya-Nan

2016-08-01

Based on the symmetric two-lane Nagel-Schreckenberg (STNS) model, a three-lane cellular automaton model between two intersections containing a bus stop with left-turning buses is established in which model the occurrences of vehicle accidents are taken into account. The characteristics of traffic flows with different ratios of left-turn lines are discussed via the simulation experiments. The results indicate that the left-turn lines have more negative effects on capacity, accident rate as well as delay if the stop is located close to the intersections, where the negative effect in a near-side stop is more severe than that in a far-side one. The range of appropriate position for a bus stop without the bottleneck effect becomes more and more narrow with the increase of the ratio of left-turn bus lines. When the inflow is small, a short signal cycle and a reasonable offset are beneficial. When the inflow reaches or exceeds the capacity, a longer signal cycle is helpful. But if the stop position is inappropriate, the increase of cycle fails in reducing the negative effect of left-turning buses and the effectiveness of offset is weakened. Project supported by the National Natural Science Foundation of China (Grant No. 50478088) and the Natural Science Foundation of Hebei Province, China (Grant No. E2015202266).

Acquisition of Initial /s/-Stop and Stop-/s/ Sequences in Greek

ERIC Educational Resources Information Center

Syrika, Asimina; Nicolaidis, Katerina; Edwards, Jan; Beckman, Mary E.

2011-01-01

Previous work on children's acquisition of complex sequences points to a tendency for affricates to be acquired before clusters, but there is no clear evidence of a difference in order of acquisition between clusters with /s/ that violate the Sonority Sequencing Principle (SSP), such as /s/ followed by stop in onset position, and other clusters…

Prediction of free turbulent mixing using a turbulent kinetic energy method

NASA Technical Reports Server (NTRS)

Harsha, P. T.

1973-01-01

Free turbulent mixing of two-dimensional and axisymmetric one- and two-stream flows is analyzed by a relatively simple turbulent kinetic energy method. This method incorporates a linear relationship between the turbulent shear and the turbulent kinetic energy and an algebraic relationship for the length scale appearing in the turbulent kinetic energy equation. Good results are obtained for a wide variety of flows. The technique is shown to be especially applicable to flows with heat and mass transfer, for which nonunity Prandtl and Schmidt numbers may be assumed.

Analysis of chemical reaction kinetics of depredating organic pollutants from secondary effluent of wastewater treatment plant in constructed wetlands.

PubMed

Wang, Hao; Jiang, Dengling; Yang, Yong; Cao, Guoping

2013-01-01

Four subsurface constructed wetlands were built to treat the secondary effluent of a wastewater treatment plant in Tangshan, China. The chemical pollutant indexes of chemical oxygen demand (COD) were analyzed to evaluate the removal efficiency of organic pollutants from the secondary effluent of the wastewater treatment plant. In all cases, the subsurface constructed wetlands were efficient in treating organic pollutants. Under the same hydraulic loading condition, the horizontal flow wetlands exhibited better efficiency of COD removal than vertical flow wetlands: the removal rates in horizontal flow wetlands could be maintained at 68.4 ± 2.42% to 92.2 ± 1.61%, compared with 63.8 ± 1.19% to 85.0 ± 1.25% in the vertical flow wetlands. Meanwhile, the chemical reaction kinetics of organic pollutants was analyzed, and the results showed that the degradation courses of the four subsurface wetlands all corresponded with the first order reaction kinetics to a large extent.

Development of discrete gas kinetic scheme for simulation of 3D viscous incompressible and compressible flows

NASA Astrophysics Data System (ADS)

Yang, L. M.; Shu, C.; Wang, Y.; Sun, Y.

2016-08-01

The sphere function-based gas kinetic scheme (GKS), which was presented by Shu and his coworkers [23] for simulation of inviscid compressible flows, is extended to simulate 3D viscous incompressible and compressible flows in this work. Firstly, we use certain discrete points to represent the spherical surface in the phase velocity space. Then, integrals along the spherical surface for conservation forms of moments, which are needed to recover 3D Navier-Stokes equations, are approximated by integral quadrature. The basic requirement is that these conservation forms of moments can be exactly satisfied by weighted summation of distribution functions at discrete points. It was found that the integral quadrature by eight discrete points on the spherical surface, which forms the D3Q8 discrete velocity model, can exactly match the integral. In this way, the conservative variables and numerical fluxes can be computed by weighted summation of distribution functions at eight discrete points. That is, the application of complicated formulations resultant from integrals can be replaced by a simple solution process. Several numerical examples including laminar flat plate boundary layer, 3D lid-driven cavity flow, steady flow through a 90° bending square duct, transonic flow around DPW-W1 wing and supersonic flow around NACA0012 airfoil are chosen to validate the proposed scheme. Numerical results demonstrate that the present scheme can provide reasonable numerical results for 3D viscous flows.

The combination of kinetic and flow cytometric semen parameters as a tool to predict fertility in cryopreserved bull semen.

PubMed

Gliozzi, T M; Turri, F; Manes, S; Cassinelli, C; Pizzi, F

2017-11-01

Within recent years, there has been growing interest in the prediction of bull fertility through in vitro assessment of semen quality. A model for fertility prediction based on early evaluation of semen quality parameters, to exclude sires with potentially low fertility from breeding programs, would therefore be useful. The aim of the present study was to identify the most suitable parameters that would provide reliable prediction of fertility. Frozen semen from 18 Italian Holstein-Friesian proven bulls was analyzed using computer-assisted semen analysis (CASA) (motility and kinetic parameters) and flow cytometry (FCM) (viability, acrosomal integrity, mitochondrial function, lipid peroxidation, plasma membrane stability and DNA integrity). Bulls were divided into two groups (low and high fertility) based on the estimated relative conception rate (ERCR). Significant differences were found between fertility groups for total motility, active cells, straightness, linearity, viability and percentage of DNA fragmented sperm. Correlations were observed between ERCR and some kinetic parameters, and membrane instability and some DNA integrity indicators. In order to define a model with high relation between semen quality parameters and ERCR, backward stepwise multiple regression analysis was applied. Thus, we obtained a prediction model that explained almost half (R 2=0.47, P<0.05) of the variation in the conception rate and included nine variables: five kinetic parameters measured by CASA (total motility, active cells, beat cross frequency, curvilinear velocity and amplitude of lateral head displacement) and four parameters related to DNA integrity evaluated by FCM (degree of chromatin structure abnormality Alpha-T, extent of chromatin structure abnormality (Alpha-T standard deviation), percentage of DNA fragmented sperm and percentage of sperm with high green fluorescence representative of immature cells). A significant relationship (R 2=0.84, P<0.05) was observed between

Identification of stopping ions in a silicon Timepix detector

NASA Astrophysics Data System (ADS)

Stoffle, Nicholas; Pinsky, Lawrence

2018-02-01

Timepix detectors are increasingly used in space-based applications. Such detectors are low power, low mass, and provide a wealth of information necessary for characterizing the ionizing radiation environment in space for both humans and hardware. Stopping ions are shown to contribute to the energy loss spectrum in a thin, pixelated, Timepix detector, and this energy loss is shown to contribute to the LET spectrum near 14 keV/micron. Bulk data also indicates the presence of Hydrogen isotopes in the energy loss spectra. Individual track analysis can be used to identify the stopping ions and the related energy and isotope through comparison with theoretical energy loss curves. While this calculation is specific to the Timepix, the impact of stopping ions on other instruments can be estimated using the insight gained from this approach.

The interplay between the kinetic nonlinear frequency shift and the flowing gradient in stimulated Brillouin scattering

NASA Astrophysics Data System (ADS)

Wang, Q.; Y Zheng, C.; Liu, Z. J.; Xiao, C. Z.; Feng, Q. S.; Zhang, H. C.; He, X. T.

2018-02-01

The effect of the kinetic nonlinear frequency shift (KNFS) on backward stimulated Brillouin scattering (SBS) in homogeneous plasmas and inhomogeneous flowing plasmas is investigated by three-wave coupled-mode equations. When the positive contribution to the KNFS from electrons as well as the negative contribution from ions is included, the net KNFS can become positive at a large electron-ion temperature ratio {{ZT}}e/{T}i. In homogeneous plasmas, KNFS can greatly reduce the SBS reflectivity at low or large {{ZT}}e/{T}i but has a weak effect on SBS at {{ZT}}e/{T}i where the positive frequency shifts from electrons almost cancels out the negative shifts from ions. In inhomogeneous plasmas, the net negative frequency shift can enhance the backward SBS reflectivity for the negative gradient of the plasma flowing, and can suppress the reflectivity for the positive case. On the contrary, the net positive frequency can suppress the reflectivity for the negative case of the flowing gradient and enhance the reflectivity for the positive case. This indicates that the SBS in inhomogeneous flowing plasmas can be controlled by changing the sign of the nonlinear frequency shift.

Sneaky light stop

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

Eifert, Till; Nachman, Benjamin

2015-02-20

A light supersymmetric top quark partner (stop) with a mass nearly degenerate with that of the standard model (SM) top quark can evade direct searches. The precise measurement of SM top properties such as the cross-section has been suggested to give a handle for this ‘stealth stop’ scenario. We present an estimate of the potential impact a light stop may have on top quark mass measurements. The results indicate that certain light stop models may induce a bias of up to a few GeV, and that this effect can hide the shift in, and hence sensitivity from, cross-section measurements. Duemore » to the different initial states, the size of the bias is slightly different between the LHC and the Tevatron. The studies make some simplifying assumptions for the top quark measurement technique, and are based on truth-level samples.« less

Sneaky light stop

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

Eifert, Till; Nachman, Benjamin

2015-04-01

A light supersymmetric top quark partner (stop) with a mass nearly degenerate with that of the standard model (SM) top quark can evade direct searches. The precise measurement of SM top properties such as the cross-section has been suggested to give a handle for this ‘stealth stop’ scenario. We present an estimate of the potential impact a light stop may have on top quark mass measurements. The results indicate that certain light stop models may induce a bias of up to a few GeV, and that this effect can hide the shift in, and hence sensitivity from, cross-section measurements. Duemore » to the different initial states, the size of the bias is slightly different between the LHC and the Tevatron. The studies make some simplifying assumptions for the top quark measurement technique, and are based on truth-level samples.« less

Evaluation of a commercial electro-kinetically pumped sheath-flow nanospray interface coupled to an automated capillary zone electrophoresis system.

PubMed

Peuchen, Elizabeth H; Zhu, Guije; Sun, Liangliang; Dovichi, Norman J

2017-03-01

Capillary zone electrophoresis-electrospray ionization-mass spectrometry (CZE-ESI-MS) is attracting renewed attention for proteomic and metabolomic analysis. An important reason for this interest is the maturation and commercialization of interfaces for coupling CZE with ESI-MS. One of these interfaces is an electro-kinetically pumped sheath flow nanospray interface developed by the Dovichi group, in which a very low sheath flow is generated based on electroosmosis within a glass emitter. CMP Scientific has commercialized this interface as the EMASS-II ion source. In this work, we compared the performance of the EMASS-II ion source with our in-house system. The performance of the systems is equivalent. We also coupled the EMASS-II ion source with a PrinCE Next|480 capillary electrophoresis autosampler and an Orbitrap mass spectrometer, and analyzed this system's performance in terms of sensitivity, reproducibility, and separation performance for separation of tryptic digests, intact proteins, and amino acids. The system produced reproducible analysis of BSA digest; the RSDs of peptide intensity and migration time across 24 runs were less than 20 and 6%, respectively. The system produced a linear calibration curve of intensity across a 30-fold range of tryptic digest concentration. The combination of a commercial autosampler and electrospray interface efficiently separated amino acids, peptides, and intact proteins, and only required 5 μL of sample for analysis. Graphical Abstract The commercial and locally constructed versions of the interface provide similar numbers of protein identifications from a Xenopus laevis fertilized egg digest.

Emulsification kinetics during quasi-miscible flow in dead-end pores

NASA Astrophysics Data System (ADS)

Broens, M.; Unsal, E.

2018-03-01

Microemulsions have found applications as carriers for the transport of solutes through various porous media. They are commonly pre-prepared in bulk form, and then injected into the medium. The preparation is done by actively mixing the surfactant, water and oil, and then allowing the mixture to stagnate until equilibrium is reached. The resulting microemulsion characteristics of the surfactant/oil/water system are studied at equilibrium conditions, and perfect mixing is assumed. But in applications like subsurface remediation and enhanced oil recovery, microemulsion formation may occur in the pore space. Surfactant solutions are injected into the ground to solubilize and/or mobilize the non-aqueous phase liquids (NAPLs) by in-situ emulsification. Flow dynamics and emulsification kinetics are coupled, which also contributes to in-situ mixing. In this study, we investigated the nature of such coupling for a quasi-miscible fluid system in a conductive channel with dead-end extensions. A microfluidic setup was used, where an aqueous solution of an anionic, internal olefin sulfonate 20-24 (IOS) surfactant was injected into n-decane saturated glass micromodel. The oil phase was coloured using a solvatochromatic dye allowing for direct visualization of the aqueous and oil phases as well as their microemulsions under fluorescent light. Presence of both conductive and stagnant dead-end channels in a single pore system made it possible to isolate different transport mechanisms from each other but also allowed to study the transitions from one to the other. In the conductive channel, the surfactant was carried with flow, and emulsification was controlled by the localized flow dynamics. In the stagnant zones, the driving force of the mass transfer was driven by the chemical concentration gradient. Some of the equilibrium phase behaviour characteristics of the surfactant/oil/water system were recognisable during the quasi-miscible displacement. However, the equilibrium tests

Effects of Magnetic and Kinetic Helicities on the Growth of Magnetic Fields in Laminar and Turbulent Flows by Helical Fourier Decomposition

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

Linkmann, Moritz; Sahoo, Ganapati; Biferale, Luca

We present a numerical and analytical study of incompressible homogeneous conducting fluids using a helical Fourier representation. We analytically study both small- and large-scale dynamo properties, as well as the inverse cascade of magnetic helicity, in the most general minimal subset of interacting velocity and magnetic fields on a closed Fourier triad. We mainly focus on the dependency of magnetic field growth as a function of the distribution of kinetic and magnetic helicities among the three interacting wavenumbers. By combining direct numerical simulations of the full magnetohydrodynamics equations with the helical Fourier decomposition, we numerically confirm that in the kinematicmore » dynamo regime the system develops a large-scale magnetic helicity with opposite sign compared to the small-scale kinetic helicity, a sort of triad-by-triad α -effect in Fourier space. Concerning the small-scale perturbations, we predict theoretically and confirm numerically that the largest instability is achived for the magnetic component with the same helicity of the flow, in agreement with the Stretch–Twist–Fold mechanism. Vice versa, in the presence of Lorentz feedback on the velocity, we find that the inverse cascade of magnetic helicity is mostly local if magnetic and kinetic helicities have opposite signs, while it is more nonlocal and more intense if they have the same sign, as predicted by the analytical approach. Our analytical and numerical results further demonstrate the potential of the helical Fourier decomposition to elucidate the entangled dynamics of magnetic and kinetic helicities both in fully developed turbulence and in laminar flows.« less

Dynamic contrast-enhanced CT of head and neck tumors: perfusion measurements using a distributed-parameter tracer kinetic model. Initial results and comparison with deconvolution-based analysis

NASA Astrophysics Data System (ADS)

Bisdas, Sotirios; Konstantinou, George N.; Sherng Lee, Puor; Thng, Choon Hua; Wagenblast, Jens; Baghi, Mehran; San Koh, Tong

2007-10-01

The objective of this work was to evaluate the feasibility of a two-compartment distributed-parameter (DP) tracer kinetic model to generate functional images of several physiologic parameters from dynamic contrast-enhanced CT data obtained of patients with extracranial head and neck tumors and to compare the DP functional images to those obtained by deconvolution-based DCE-CT data analysis. We performed post-processing of DCE-CT studies, obtained from 15 patients with benign and malignant head and neck cancer. We introduced a DP model of the impulse residue function for a capillary-tissue exchange unit, which accounts for the processes of convective transport and capillary-tissue exchange. The calculated parametric maps represented blood flow (F), intravascular blood volume (v1), extravascular extracellular blood volume (v2), vascular transit time (t1), permeability-surface area product (PS), transfer ratios k12 and k21, and the fraction of extracted tracer (E). Based on the same regions of interest (ROI) analysis, we calculated the tumor blood flow (BF), blood volume (BV) and mean transit time (MTT) by using a modified deconvolution-based analysis taking into account the extravasation of the contrast agent for PS imaging. We compared the corresponding values by using Bland-Altman plot analysis. We outlined 73 ROIs including tumor sites, lymph nodes and normal tissue. The Bland-Altman plot analysis revealed that the two methods showed an accepted degree of agreement for blood flow, and, thus, can be used interchangeably for measuring this parameter. Slightly worse agreement was observed between v1 in the DP model and BV but even here the two tracer kinetic analyses can be used interchangeably. Under consideration of whether both techniques may be used interchangeably was the case of t1 and MTT, as well as for measurements of the PS values. The application of the proposed DP model is feasible in the clinical routine and it can be used interchangeably for measuring

Evidence for a Shared Mechanism in the Formation of Urea-Induced Kinetic and Equilibrium Intermediates of Horse Apomyoglobin from Ultrarapid Mixing Experiments

PubMed Central

Mizukami, Takuya; Abe, Yukiko; Maki, Kosuke

2015-01-01

In this study, the equivalence of the kinetic mechanisms of the formation of urea-induced kinetic folding intermediates and non-native equilibrium states was investigated in apomyoglobin. Despite having similar structural properties, equilibrium and kinetic intermediates accumulate under different conditions and via different mechanisms, and it remains unknown whether their formation involves shared or distinct kinetic mechanisms. To investigate the potential mechanisms of formation, the refolding and unfolding kinetics of horse apomyoglobin were measured by continuous- and stopped-flow fluorescence over a time range from approximately 100 μs to 10 s, along with equilibrium unfolding transitions, as a function of urea concentration at pH 6.0 and 8°C. The formation of a kinetic intermediate was observed over a wider range of urea concentrations (0–2.2 M) than the formation of the native state (0–1.6 M). Additionally, the kinetic intermediate remained populated as the predominant equilibrium state under conditions where the native and unfolded states were unstable (at ~0.7–2 M urea). A continuous shift from the kinetic to the equilibrium intermediate was observed as urea concentrations increased from 0 M to ~2 M, which indicates that these states share a common kinetic folding mechanism. This finding supports the conclusion that these intermediates are equivalent. Our results in turn suggest that the regions of the protein that resist denaturant perturbations form during the earlier stages of folding, which further supports the structural equivalence of transient and equilibrium intermediates. An additional folding intermediate accumulated within ~140 μs of refolding and an unfolding intermediate accumulated in <1 ms of unfolding. Finally, by using quantitative modeling, we showed that a five-state sequential scheme appropriately describes the folding mechanism of horse apomyoglobin. PMID:26244984

Evidence for a Shared Mechanism in the Formation of Urea-Induced Kinetic and Equilibrium Intermediates of Horse Apomyoglobin from Ultrarapid Mixing Experiments.

PubMed

Mizukami, Takuya; Abe, Yukiko; Maki, Kosuke

2015-01-01

In this study, the equivalence of the kinetic mechanisms of the formation of urea-induced kinetic folding intermediates and non-native equilibrium states was investigated in apomyoglobin. Despite having similar structural properties, equilibrium and kinetic intermediates accumulate under different conditions and via different mechanisms, and it remains unknown whether their formation involves shared or distinct kinetic mechanisms. To investigate the potential mechanisms of formation, the refolding and unfolding kinetics of horse apomyoglobin were measured by continuous- and stopped-flow fluorescence over a time range from approximately 100 μs to 10 s, along with equilibrium unfolding transitions, as a function of urea concentration at pH 6.0 and 8°C. The formation of a kinetic intermediate was observed over a wider range of urea concentrations (0-2.2 M) than the formation of the native state (0-1.6 M). Additionally, the kinetic intermediate remained populated as the predominant equilibrium state under conditions where the native and unfolded states were unstable (at ~0.7-2 M urea). A continuous shift from the kinetic to the equilibrium intermediate was observed as urea concentrations increased from 0 M to ~2 M, which indicates that these states share a common kinetic folding mechanism. This finding supports the conclusion that these intermediates are equivalent. Our results in turn suggest that the regions of the protein that resist denaturant perturbations form during the earlier stages of folding, which further supports the structural equivalence of transient and equilibrium intermediates. An additional folding intermediate accumulated within ~140 μs of refolding and an unfolding intermediate accumulated in <1 ms of unfolding. Finally, by using quantitative modeling, we showed that a five-state sequential scheme appropriately describes the folding mechanism of horse apomyoglobin.

Evidence for a kinetic heterogeneity in ligand binding to R-state haemoglobin Kempsey [Asp-G1(99) beta----Asn].

PubMed Central

Coletta, M; Brittain, T; Brunori, M

1986-01-01

Thermodynamic and kinetic properties of O2 and CO binding to haemoglobin (Hb) Kempsey [Asp-G1(99) beta----Asn] were investigated and the activation parameters for the two ligands were determined. At every temperature the O2-binding isotherms display a weak co-operativity, n ranging between 1.1 and 1.2, and dissociation kinetics show a single-exponential behaviour. O2-binding kinetics were studied at 25 degrees C by temperature jump and are characterized at each saturation (from Y = 0.31 to Y = 1.0) by two processes, a fast bimolecular one and a slow monomolecular one (tau -1 = 20 s-1), which contributes to approx. 30% of the whole relaxation amplitude at every Y. CO-binding kinetics to Hb Kempsey were followed at several temperatures by flash photolysis and stopped flow. The process is biphasic, as reported elsewhere [Bunn, Wohl, Bradley, Cooley & Gibson (1974) J. Biol. Chem. 249, 7402-7409], and the relative contributions of the two bimolecular rates to the whole process are only slightly affected by temperature. On taking account for the fraction of dimers at every protein concentration, the slow phase corresponds to approx. 50% of the ligand binding to tetramers. Correlation of these results with previous spectroscopic data leads to the hypothesis that the biphasic time course of CO binding may be attributed to alpha/beta heterogeneity of the R-state of tetrameric Hb Kempsey. PMID:3800943

20 CFR 662.430 - Under what conditions may One-Stop operators designated to operate in a One-Stop delivery system...

Code of Federal Regulations, 2013 CFR

2013-04-01

... designated to operate in a One-Stop delivery system established prior to the enactment of WIA be designated... (CONTINUED) DESCRIPTION OF THE ONE-STOP SYSTEM UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT One-Stop Operators § 662.430 Under what conditions may One-Stop operators designated to operate in a One-Stop...

20 CFR 662.430 - Under what conditions may One-Stop operators designated to operate in a One-Stop delivery system...

Code of Federal Regulations, 2014 CFR

2014-04-01

... designated to operate in a One-Stop delivery system established prior to the enactment of WIA be designated... (CONTINUED) DESCRIPTION OF THE ONE-STOP SYSTEM UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT One-Stop Operators § 662.430 Under what conditions may One-Stop operators designated to operate in a One-Stop...

20 CFR 662.430 - Under what conditions may One-Stop operators designated to operate in a One-Stop delivery system...

Code of Federal Regulations, 2012 CFR

2012-04-01

... designated to operate in a One-Stop delivery system established prior to the enactment of WIA be designated... (CONTINUED) DESCRIPTION OF THE ONE-STOP SYSTEM UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT One-Stop Operators § 662.430 Under what conditions may One-Stop operators designated to operate in a One-Stop...

Stopping power: Effect of the projectile deceleration

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

Kompaneets, Roman, E-mail: kompaneets@mpe.mpg.de; Ivlev, Alexei V.; Morfill, Gregor E.

2014-11-15

The stopping force is the force exerted on the projectile by its wake. Since the wake does not instantly adjust to the projectile velocity, the stopping force should be affected by the projectile deceleration caused by the stopping force itself. We address this effect by deriving the corresponding correction to the stopping force in the cold plasma approximation. By using the derived expression, we estimate that if the projectile is an ion passing through an electron-proton plasma, the correction is small when the stopping force is due to the plasma electrons, but can be significant when the stopping force ismore » due to the protons.« less

48 CFR 42.1303 - Stop-work orders.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 48 Federal Acquisition Regulations System 1 2011-10-01 2011-10-01 false Stop-work orders. 42.1303... CONTRACT ADMINISTRATION AND AUDIT SERVICES Suspension of Work, Stop-Work Orders, and Government Delay of Work 42.1303 Stop-work orders. (a) Stop-work orders may be used, when appropriate, in any negotiated...

48 CFR 42.1303 - Stop-work orders.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Stop-work orders. 42.1303... CONTRACT ADMINISTRATION AND AUDIT SERVICES Suspension of Work, Stop-Work Orders, and Government Delay of Work 42.1303 Stop-work orders. (a) Stop-work orders may be used, when appropriate, in any negotiated...

Methods for studying reaction kinetics in gas chromatography, exemplified by using the 1-chloro-2,2-dimethylaziridine interconversion reaction.

PubMed

Krupcík, J; Mydlová, J; Májek, P; Simon, P; Armstrong, D W

2008-04-04

In this paper, methods are described that are used for studying first-order reaction kinetics by gas chromatography. Basic theory is summarized and illustrated using the interconversion of 1-chloro-2,2-dimethylaziridine enantiomers as a representative example. For the determination of the kinetic and thermodynamic activation data of interconversion the following methods are reviewed: (i) classical kinetic methods where samples of batch-wise kinetic studies are analyzed by enantioselective gas chromatography, (ii) stopped-flow methods performed on one chiral column, (iii) stopped-flow methods performed on an achiral column or empty capillary coupled in series with two chiral columns, (iv) on-flow method performed on an achiral column coupled in series with two chiral columns, and (v) reaction gas chromatography, known as a dynamic gas chromatography, where the interconversion is performed on chiral column during the separation process. The determination of kinetic and thermodynamic activation data by methods (i) through (iv) is straightforward as the experimental data needed for the evaluation (particularly the concentration of reaction constituents) are accessible from the chromatograms. The evaluation of experiments from reaction chromatography method (v) is complex as the concentration bands of reaction constituents are overlapped. The following procedures have been developed to determination peak areas of reaction constituents in such complex chromatograms: (i) methods based on computer-assisted simulations of chromatograms where the kinetic activation parameters for the interconversion of enantiomers are obtained by iterative comparison of experimental and simulated chromatograms, (ii) stochastic methods based on the simulation of Gaussian distribution functions and using a time-dependent probability density function, (iii) approximation function and unified equation, (iv) computer-assisted peak deconvolution methods. Evaluation of the experimental data permits

20 CFR 662.430 - Under what conditions may One-Stop operators designated to operate in a One-Stop delivery system...

Code of Federal Regulations, 2011 CFR

2011-04-01

... designated to operate in a One-Stop delivery system established prior to the enactment of WIA be designated... DESCRIPTION OF THE ONE-STOP SYSTEM UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT One-Stop Operators § 662.430 Under what conditions may One-Stop operators designated to operate in a One-Stop delivery system...

20 CFR 662.430 - Under what conditions may One-Stop operators designated to operate in a One-Stop delivery system...

Code of Federal Regulations, 2010 CFR

2010-04-01

... designated to operate in a One-Stop delivery system established prior to the enactment of WIA be designated... DESCRIPTION OF THE ONE-STOP SYSTEM UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT One-Stop Operators § 662.430 Under what conditions may One-Stop operators designated to operate in a One-Stop delivery system...

Disruption of the Opal Stop Codon Attenuates Chikungunya Virus-Induced Arthritis and Pathology

PubMed Central

Jones, Jennifer E.; Long, Kristin M.; Whitmore, Alan C.; Sanders, Wes; Thurlow, Lance R.; Brown, Julia A.; Morrison, Clayton R.; Vincent, Heather; Browning, Christian; Moorman, Nathaniel; Lim, Jean K.

2017-01-01

ABSTRACT Chikungunya virus (CHIKV) is a mosquito-borne alphavirus responsible for several significant outbreaks of debilitating acute and chronic arthritis and arthralgia over the past decade. These include a recent outbreak in the Caribbean islands and the Americas that caused more than 1 million cases of viral arthralgia. Despite the major impact of CHIKV on global health, viral determinants that promote CHIKV-induced disease are incompletely understood. Most CHIKV strains contain a conserved opal stop codon at the end of the viral nsP3 gene. However, CHIKV strains that encode an arginine codon in place of the opal stop codon have been described, and deep-sequencing analysis of a CHIKV isolate from the Caribbean identified both arginine and opal variants within this strain. Therefore, we hypothesized that the introduction of the arginine mutation in place of the opal termination codon may influence CHIKV virulence. We tested this by introducing the arginine mutation into a well-characterized infectious clone of a CHIKV strain from Sri Lanka and designated this virus Opal524R. This mutation did not impair viral replication kinetics in vitro or in vivo. Despite this, the Opal524R virus induced significantly less swelling, inflammation, and damage within the feet and ankles of infected mice. Further, we observed delayed induction of proinflammatory cytokines and chemokines, as well as reduced CD4+ T cell and NK cell recruitment compared to those in the parental strain. Therefore, the opal termination codon plays an important role in CHIKV pathogenesis, independently of effects on viral replication. PMID:29138302

Perceptual assessment of fricative--stop coarticulation.

PubMed

Repp, B H; Mann, V A

1981-04-01

The perceptual dependence of stop consonants on preceding fricatives [Mann and Repp, J. Acoust. Soc. Am. 69, 548--558 (1981)] was further investigated in two experiments employing both natural and synthetic speech. These experiments consistently replicated our original finding that listeners, report velar stops following [s]. In addition, our data confirmed earlier reports that natural fricative noises (excerpted from utterances of [st alpha], [sk alpha], [(formula: see text)k alpha]) contain cues to the following stop consonants; this was revealed in subjects' identifications of stops from isolated fricative noises and from stimuli consisting of these noises followed by synthetic CV portions drawn from a [t alpha]--[k alpha] continuum. However, these cues in the noise portion could not account for the contextual effect of fricative identity ([formula: see text] versus [sp) on stop perception (more "k" responses following [s]). Rather, this effect seems to be related to a coarticulatory influence of a preceding fricative on stop production; Subjects' responses to excised natural CV portions (with bursts and aspiration removed) were biased towards a relatively more forward place of stop articulation when the CVs had originally been preceded by [s]; and the identification of a preceding ambiguous fricative was biased in the direction of the original fricative context in which a given CV portion had been produced. These findings support an articulatory explanation for the effect of preceding fricatives on stop consonant perception.

Kinetics of propagation of the lattice excitation in a swift heavy ion track

NASA Astrophysics Data System (ADS)

Lipp, V. P.; Volkov, A. E.; Sorokin, M. V.; Rethfeld, B.

2011-05-01

In this research we verify the applicability of the temperature and heat diffusion conceptions for the description of subpicosecond lattice excitations in nanometric tracks of swift heavy ions (SHI) decelerated in solids in the electronic stopping regime. The method is based on the molecular dynamics (MD) analysis of temporal evolutions of the local kinetic and configurational temperatures of a lattice. We used solid argon as the model system. MD simulations demonstrated that in a SHI track (a) thermalization of lattice excitations takes time of several picoseconds, and (b) application of the parabolic heat diffusion equations for the description of spatial and temporal propagation of lattice excitations is questionable at least up to 10 ps after the ion passage.

Oxidation kinetics of molten copper sulfide

NASA Astrophysics Data System (ADS)

Alyaser, A. H.; Brimacombe, J. K.

1995-02-01

The oxidation kinetics of molten Cu2S baths, during top lancing with oxygen/nitrogen (argon) mixtures, have been investigated as a function of oxygen partial pressure (0.2 to 0.78), bath temperature (1200 °C to 1300 °C), gas flow rate (1 to 4 L/min), and bath mixing. Surface-tension-driven flows (the Marangoni effect) were observed both visually and photographically. Thus, the oxidation of molten Cu2S was found to progress in two distinct stages, the kinetics of which are limited by the mass transfer of oxygen in the gas phase to the melt surface. During the primary stage, the melt is partially desulfurized while oxygen dissolves in the liquid sulfide. Upon saturation of the melt with oxygen, the secondary stage commences in which surface and bath reactions proceed to generate copper and SO2 electrochemically. A mathematical model of the reaction kinetics has been formulated and tested against the measurements. The results of this study shed light on the process kinetics of the copper blow in a Peirce-Smith converter or Mitsubishi reactor.

A reactive flow model with coupled reaction kinetics for detonation and combustion in non-ideal explosives

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

Miller, P.J.

1996-07-01

A new reactive flow model for highly non-ideal explosives and propellants is presented. These compositions, which contain large amounts of metal, upon explosion have reaction kinetics that are characteristic of both fast detonation and slow metal combustion chemistry. A reaction model for these systems was incorporated into the two-dimensional, finite element, Lagrangian hydrodynamic code, DYNA2D. A description of how to determine the model parameters is given. The use of the model and variations are applied to AP, Al, and nitramine underwater explosive and propellant systems.

Stress, social support, and stopping smoking after myocardial infarction in England.

PubMed Central

Greenwood, D C; Muir, K R; Packham, C J; Madeley, R J

1995-01-01

STUDY OBJECTIVE--To examine the effect on mortality of stopping smoking after myocardial infarction and the psychosocial factors that influence the decision to stop. DESIGN--Analysis of smokers in a large prospective study. Self completed questionnaires provided information on psychosocial factors. SETTING--Coronary care units at six English hospitals participating in a multicentre clinical trial. SUBJECTS--These comprised consenting myocardial infarction survivors who had been identified as smokers and who completed questionnaires within seven days of infarct at six hospitals participating in the Anglo-Scandinavian study of early thrombolysis. The 532 patients identified have been followed for over five and a half years. The main outcome measure was five year all cause mortality. MAIN RESULTS--Smokers who stopped within one month showed significantly reduced mortality compared with those who persisted, adjusting for other prognostic indicators (odds ratio 0.56, 95% confidence interval 0.33, 0.98). Overall, 74% stopped smoking. Being married, low life stress levels before infarct, and higher social class were associated with stopping smoking but the differentials were small. Of the clinical variables, a final diagnosis of definite myocardial infarction was associated with stopping smoking. All associations remained after multiple logistic regression. CONCLUSION--Smoking cessation can halve the smokers' odds of dying after myocardial infarction and psychosocial factors play a small but important role in the important decision to stop smoking. Health professionals should continue to stress the importance of stopping smoking to all patients as there is little evidence to support specific directing of advice to relatively "stress or "socially isolated" groups. PMID:8596092

Neural Architecture of Selective Stopping Strategies: Distinct Brain Activity Patterns Are Associated with Attentional Capture But Not with Outright Stopping.

PubMed

Sebastian, Alexandra; Rössler, Kora; Wibral, Michael; Mobascher, Arian; Lieb, Klaus; Jung, Patrick; Tüscher, Oliver

2017-10-04

In stimulus-selective stop-signal tasks, the salient stop signal needs attentional processing before genuine response inhibition is completed. Differential prefrontal involvement in attentional capture and response inhibition has been linked to the right inferior frontal junction (IFJ) and ventrolateral prefrontal cortex (VLPFC), respectively. Recently, it has been suggested that stimulus-selective stopping may be accomplished by the following different strategies: individuals may selectively inhibit their response only upon detecting a stop signal (independent discriminate then stop strategy) or unselectively whenever detecting a stop or attentional capture signal (stop then discriminate strategy). Alternatively, the discrimination process of the critical signal (stop vs attentional capture signal) may interact with the go process (dependent discriminate then stop strategy). Those different strategies might differentially involve attention- and stopping-related processes that might be implemented by divergent neural networks. This should lead to divergent activation patterns and, if disregarded, interfere with analyses in neuroimaging studies. To clarify this crucial issue, we studied 87 human participants of both sexes during a stimulus-selective stop-signal task and performed strategy-dependent functional magnetic resonance imaging analyses. We found that, regardless of the strategy applied, outright stopping displayed indistinguishable brain activation patterns. However, during attentional capture different strategies resulted in divergent neural activation patterns with variable activation of right IFJ and bilateral VLPFC. In conclusion, the neural network involved in outright stopping is ubiquitous and independent of strategy, while different strategies impact on attention-related processes and underlying neural network usage. Strategic differences should therefore be taken into account particularly when studying attention-related processes in stimulus

LFSTAT - Low-Flow Analysis in R

NASA Astrophysics Data System (ADS)

Koffler, Daniel; Laaha, Gregor

2013-04-01

The calculation of characteristic stream flow during dry conditions is a basic requirement for many problems in hydrology, ecohydrology and water resources management. As opposed to floods, a number of different indices are used to characterise low flows and streamflow droughts. Although these indices and methods of calculation have been well documented in the WMO Manual on Low-flow Estimation and Prediction [1], a comprehensive software was missing which enables a fast and standardized calculation of low flow statistics. We present the new software package lfstat to fill in this obvious gap. Our software package is based on the statistical open source software R, and expands it to analyse daily stream flow data records focusing on low-flows. As command-line based programs are not everyone's preference, we also offer a plug-in for the R-Commander, an easy to use graphical user interface (GUI) provided for R which is based on tcl/tk. The functionality of lfstat includes estimation methods for low-flow indices, extreme value statistics, deficit characteristics, and additional graphical methods to control the computation of complex indices and to illustrate the data. Beside the basic low flow indices, the baseflow index and recession constants can be computed. For extreme value statistics, state-of-the-art methods for L-moment based local and regional frequency analysis (RFA) are available. The tools for deficit characteristics include various pooling and threshold selection methods to support the calculation of drought duration and deficit indices. The most common graphics for low flow analysis are available, and the plots can be modified according to the user preferences. Graphics include hydrographs for different periods, flexible streamflow deficit plots, baseflow visualisation, recession diagnostic, flow duration curves as well as double mass curves, and many more. From a technical point of view, the package uses a S3-class called lfobj (low-flow objects). This

Tourette Syndrome: Help Stop Bullying

MedlinePlus

... Submit Button Past Emails Tourette Syndrome: Help Stop Bullying Language: English (US) Español (Spanish) Recommend on Facebook ... you can increase acceptance by helping to stop bullying of children with TS. Bullying doesn’t just ...

Kinetic: A system code for analyzing nuclear thermal propulsion rocket engine transients

NASA Astrophysics Data System (ADS)

Schmidt, Eldon; Lazareth, Otto; Ludewig, Hans

The topics are presented in viewgraph form and include the following: outline of kinetic code; a kinetic information flow diagram; kinetic neutronic equations; turbopump/nozzle algorithm; kinetic heat transfer equations per node; and test problem diagram.

Enhanced reaction kinetics and reactive mixing scale dynamics in mixing fronts under shear flow for arbitrary Damköhler numbers

NASA Astrophysics Data System (ADS)

Bandopadhyay, Aditya; Le Borgne, Tanguy; Méheust, Yves; Dentz, Marco

2017-02-01

Mixing fronts, where fluids of different chemical compositions mix with each other, are known to represent hotspots of chemical reaction in hydrological systems. These fronts are typically subjected to velocity gradients, ranging from the pore scale due to no slip boundary conditions at fluid solid interfaces, to the catchment scale due to permeability variations and complex geometry of the Darcy velocity streamlines. A common trait of these processes is that the mixing interface is strained by shear. Depending on the Péclet number Pe , which represents the ratio of the characteristic diffusion time to the characteristic shear time, and the Damköhler number Da , which represents the ratio of the characteristic diffusion time to the characteristic reaction time, the local reaction rates can be strongly impacted by the dynamics of the mixing interface. So far, this impact has been characterized mostly either in kinetics-limited or in mixing-limited conditions, that is, for either low or high Da. Here the coupling of shear flow and chemical reactivity is investigated for arbitrary Damköhler numbers, for a bimolecular reaction and an initial interface with separated reactants. Approximate analytical expressions for the global production rate and reactive mixing scale are derived based on a reactive lamella approach that allows for a general coupling between stretching enhanced mixing and chemical reactions. While for Pe < Da , reaction kinetics and stretching effects are decoupled, a scenario which we name "weak stretching", for Pe > Da , we uncover a "strong stretching" scenario where new scaling laws emerge from the interplay between reaction kinetics, diffusion, and stretching. The analytical results are validated against numerical simulations. These findings shed light on the effect of flow heterogeneity on the enhancement of chemical reaction and the creation of spatially localized hotspots of reactivity for a broad range of systems ranging from kinetic limited

Field trip stop descriptions

NASA Technical Reports Server (NTRS)

Nummedal, D.

1978-01-01

Fifteen sites within the channeled scabland were selected as stops with the dual aim of visiting locations critical to the arguments for a catastrophic flood origin of the scablands, as well as permitting an examination of the variability in both erosional and depositional features. The stop locations are plotted on a generalized geologic map and their coordinates are given in table form.

Turbulent Chemically Reacting Flows According to a Kinetic Theory. Ph.D. Thesis; [statistical analysis/gas flow

NASA Technical Reports Server (NTRS)

Hong, Z. C.

1975-01-01

A review of various methods of calculating turbulent chemically reacting flow such as the Green Function, Navier-Stokes equation, and others is presented. Nonequilibrium degrees of freedom were employed to study the mixing behavior of a multiscale turbulence field. Classical and modern theories are discussed.

Evaluating the Effects of Traffic on Driver Stopping and Turn Signal Use at a Stop Sign: A Systematic Replication

ERIC Educational Resources Information Center

Lebbon, Angela R.; Austin, John; Van Houten, Ron; Malenfant, Louis E.

2007-01-01

The current analyses of observational data found that oncoming traffic substantially affected driver stopping patterns and turn signal use at the target stop sign. The percentage of legal stops and turn signal use by drivers in the presence and absence of traffic was analyzed using a multi-element design. The results showed that legal stops were…

CRISPR-Mediated Base Editing Enables Efficient Disruption of Eukaryotic Genes through Induction of STOP Codons.

PubMed

Billon, Pierre; Bryant, Eric E; Joseph, Sarah A; Nambiar, Tarun S; Hayward, Samuel B; Rothstein, Rodney; Ciccia, Alberto

2017-09-21

Standard CRISPR-mediated gene disruption strategies rely on Cas9-induced DNA double-strand breaks (DSBs). Here, we show that CRISPR-dependent base editing efficiently inactivates genes by precisely converting four codons (CAA, CAG, CGA, and TGG) into STOP codons without DSB formation. To facilitate gene inactivation by induction of STOP codons (iSTOP), we provide access to a database of over 3.4 million single guide RNAs (sgRNAs) for iSTOP (sgSTOPs) targeting 97%-99% of genes in eight eukaryotic species, and we describe a restriction fragment length polymorphism (RFLP) assay that allows the rapid detection of iSTOP-mediated editing in cell populations and clones. To simplify the selection of sgSTOPs, our resource includes annotations for off-target propensity, percentage of isoforms targeted, prediction of nonsense-mediated decay, and restriction enzymes for RFLP analysis. Additionally, our database includes sgSTOPs that could be employed to precisely model over 32,000 cancer-associated nonsense mutations. Altogether, this work provides a comprehensive resource for DSB-free gene disruption by iSTOP. Copyright © 2017 Elsevier Inc. All rights reserved.

Varying stopping and self-focusing of intense proton beams as they heat solid density matter

NASA Astrophysics Data System (ADS)

Kim, J.; McGuffey, C.; Qiao, B.; Wei, M. S.; Grabowski, P. E.; Beg, F. N.

2016-04-01

Transport of intense proton beams in solid-density matter is numerically investigated using an implicit hybrid particle-in-cell code. Both collective effects and stopping for individual beam particles are included through the electromagnetic fields solver and stopping power calculations utilizing the varying local target conditions, allowing self-consistent transport studies. Two target heating mechanisms, the beam energy deposition and Ohmic heating driven by the return current, are compared. The dependences of proton beam transport in solid targets on the beam parameters are systematically analyzed, i.e., simulations with various beam intensities, pulse durations, kinetic energies, and energy distributions are compared. The proton beam deposition profile and ultimate target temperature show strong dependence on intensity and pulse duration. A strong magnetic field is generated from a proton beam with high density and tight beam radius, resulting in focusing of the beam and localized heating of the target up to hundreds of eV.

Varying stopping and self-focusing of intense proton beams as they heat solid density matter

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

Kim, J.; McGuffey, C., E-mail: cmcguffey@ucsd.edu; Qiao, B.

2016-04-15

Transport of intense proton beams in solid-density matter is numerically investigated using an implicit hybrid particle-in-cell code. Both collective effects and stopping for individual beam particles are included through the electromagnetic fields solver and stopping power calculations utilizing the varying local target conditions, allowing self-consistent transport studies. Two target heating mechanisms, the beam energy deposition and Ohmic heating driven by the return current, are compared. The dependences of proton beam transport in solid targets on the beam parameters are systematically analyzed, i.e., simulations with various beam intensities, pulse durations, kinetic energies, and energy distributions are compared. The proton beam depositionmore » profile and ultimate target temperature show strong dependence on intensity and pulse duration. A strong magnetic field is generated from a proton beam with high density and tight beam radius, resulting in focusing of the beam and localized heating of the target up to hundreds of eV.« less

One Stop Post Op cardiac surgery recovery--a proven success.

PubMed

Joyce, L; Pandolph, P

2001-01-01

The One Stop Post Op model for open heart surgery recovery is an innovative approach to post op care utilized in only a few facilities in the country. This model calls for an integration of acute ICU and step-down phases of care, thus changing the paradigm for nursing care of the open heart surgery patient. Typically, hospitals incur inefficiencies transferring the patient through multiple levels of care, thus resulting in a "disconnect" as new caregivers relearn the patient's care requirements and special needs. The construction of a "one stop" unit allows the patient to remain stationary while the service level changes to accommodate changing care needs. The cardiac "one stop" model is similar to the LDRP concept for obstetrical care. The One Stop Post Op patient rooms are designed to accommodate every level of patient acuity. All rooms meet the regulations for critical care room design, however this is where the aesthetic similarity ends. The patient environment looks more like hotel rooms rather than the traditional ICU setting. Cabinets designed to cover medical gases, in the room's private bathrooms and comfortable furnishings help to create a patient focused environment conducive to recovery. This model has been utilized by several facilities and has demonstrated clear clinical and economic advantages for patients, families, and health care providers. Implementing an open heart surgery (OHS) program presents the opportunity for several community based hospitals to challenge the way they have been providing patient care and establish an innovative approach to post surgery patient care. The One Stop Post Op cardiovascular recovery unit is designed to receive the OHS patient directly from the operating room and to be the "care unit" for the patient's entire stay. Patient flow, quality monitoring and caregiver acceptance in this unit requires new paradigms from the traditional two or three step post OHS care delivery process. The One Stop Post Op model focuses

Propellant-Flow-Actuated Rocket Engine Igniter

NASA Technical Reports Server (NTRS)

Wollen, Mark

2013-01-01

A rocket engine igniter has been created that uses a pneumatically driven hammer that, by specialized geometry, is induced into an oscillatory state that can be used to either repeatedly impact a piezoelectric crystal with sufficient force to generate a spark capable of initiating combustion, or can be used with any other system capable of generating a spark from direct oscillatory motion. This innovation uses the energy of flowing gaseous propellant, which by means of pressure differentials and kinetic motion, causes a hammer object to oscillate. The concept works by mass flows being induced through orifices on both sides of a cylindrical tube with one or more vent paths. As the mass flow enters the chamber, the pressure differential is caused because the hammer object is supplied with flow on one side and the other side is opened with access to the vent path. The object then crosses the vent opening and begins to slow because the pressure differential across the ball reverses due to the geometry in the tube. Eventually, the object stops because of the increasing pressure differential on the object until all of the kinetic energy has been transferred to the gas via compression. This is the point where the object reverses direction because of the pressure differential. This behavior excites a piezoelectric crystal via direct impact from the hammer object. The hammer strikes a piezoelectric crystal, then reverses direction, and the resultant high voltage created from the crystal is transferred via an electrode to a spark gap in the ignition zone, thereby providing a spark to ignite the engine. Magnets, or other retention methods, might be employed to favorably position the hammer object prior to start, but are not necessary to maintain the oscillatory behavior. Various manifestations of the igniter have been developed and tested to improve device efficiency, and some improved designs are capable of operation at gas flow rates of a fraction of a gram per second (0

Monodomain dynamics for rigid rod and platelet suspensions in strongly coupled coplanar linear flow and magnetic fields. II. Kinetic theory

NASA Astrophysics Data System (ADS)

Forest, M. Gregory; Sircar, Sarthok; Wang, Qi; Zhou, Ruhai

2006-10-01

We establish reciprocity relations of the Doi-Hess kinetic theory for rigid rod macromolecular suspensions governed by the strong coupling among an excluded volume potential, linear flow, and a magnetic field. The relation provides a reduction of the flow and field driven Smoluchowski equation: from five parameters for coplanar linear flows and magnetic field, to two field parameters. The reduced model distinguishes flows with a rotational component, which map to simple shear (with rate parameter) subject to a transverse magnetic field (with strength parameter), and irrotational flows, for which the reduced model consists of a triaxial extensional flow (with two extensional rate parameters). We solve the Smoluchowski equation of the reduced model to explore: (i) the effect of introducing a coplanar magnetic field on each sheared monodomain attractor of the Doi-Hess kinetic theory and (ii) the coupling of coplanar extensional flow and magnetic fields. For (i), we show each sheared attractor (steady and unsteady, with peak axis in and out of the shearing plane, periodic and chaotic orbits) undergoes its own transition sequence versus magnetic field strength. Nonetheless, robust predictions emerge: out-of-plane degrees of freedom are arrested with increasing field strength, and a unique flow-aligning or tumbling/wagging limit cycle emerges above a threshold magnetic field strength or modified geometry parameter value. For (ii), irrotational flows coupled with a coplanar magnetic field yield only steady states. We characterize all (generically biaxial) equilibria in terms of an explicit Boltzmann distribution, providing a natural generalization of analytical results on pure nematic equilibria [P. Constantin, I. Kevrekidis, and E. S. Titi, Arch. Rat. Mech. Anal. 174, 365 (2004); P. Constantin, I. Kevrekidis, and E. S. Titi, Discrete and Continuous Dynamical Systems 11, 101 (2004); P. Constantin and J. Vukadinovic, Nonlinearity 18, 441 (2005); H. Liu, H. Zhang, and P

A pressure tuned stop-flow atomic layer deposition process for MoS2 on high porous nanostructure and fabrication of TiO2/MoS2 core/shell inverse opal structure

NASA Astrophysics Data System (ADS)

Li, Xianglin; Puttaswamy, Manjunath; Wang, Zhiwei; Kei Tan, Chiew; Grimsdale, Andrew C.; Kherani, Nazir P.; Tok, Alfred Iing Yoong

2017-11-01

MoS2 thin films are obtained by atomic layer deposition (ALD) in the temperature range of 120-150 °C using Mo(CO)6 and dimethyl disulfide (DMDS) as precursors. A pressure tuned stop-flow ALD process facilitates the precursor adsorption and enables the deposition of MoS2 on high porous three dimensional (3D) nanostructures. As a demonstration, a TiO2/MoS2 core/shell inverse opal (TiO2/MoS2-IO) structure has been fabricated through ALD of TiO2 and MoS2 on a self-assembled multilayer polystyrene (PS) structure template. Due to the self-limiting surface reaction mechanism of ALD and the utilization of pressure tuned stop-flow ALD processes, the as fabricated TiO2/MoS2-IO structure has a high uniformity, reflected by FESEM and FIB-SEM characterization. A crystallized TiO2/MoS2-IO structure can be obtained through a post annealing process. As a 3D photonic crystal, the TiO2/MoS2-IO exhibits obvious stopband reflecting peaks, which can be adjusted through changing the opal diameters as well as the thickness of MoS2 layer.

Nipah virion entry kinetics, composition, and conformational changes determined by enzymatic virus-like particles and new flow virometry tools.

PubMed

Landowski, Matthew; Dabundo, Jeffrey; Liu, Qian; Nicola, Anthony V; Aguilar, Hector C

2014-12-01

Virus-cell membrane fusion is essential for enveloped virus infections. However, mechanistic viral membrane fusion studies have predominantly focused on cell-cell fusion models, largely due to the low availability of technologies capable of characterizing actual virus-cell membrane fusion. Although cell-cell fusion assays are valuable, they do not fully recapitulate all the variables of virus-cell membrane fusion. Drastic differences between viral and cellular membrane lipid and protein compositions and curvatures exist. For biosafety level 4 (BSL4) pathogens such as the deadly Nipah virus (NiV), virus-cell fusion mechanistic studies are notably cumbersome. To circumvent these limitations, we used enzymatic Nipah virus-like-particles (NiVLPs) and developed new flow virometric tools. NiV's attachment (G) and fusion (F) envelope glycoproteins mediate viral binding to the ephrinB2/ephrinB3 cell receptors and virus-cell membrane fusion, respectively. The NiV matrix protein (M) can autonomously induce NiV assembly and budding. Using a β-lactamase (βLa) reporter/NiV-M chimeric protein, we produced NiVLPs expressing NiV-G and wild-type or mutant NiV-F on their surfaces. By preloading target cells with the βLa fluorescent substrate CCF2-AM, we obtained viral entry kinetic curves that correlated with the NiV-F fusogenic phenotypes, validating NiVLPs as suitable viral entry kinetic tools and suggesting overall relatively slower viral entry than cell-cell fusion kinetics. Additionally, the proportions of F and G on individual NiVLPs and the extent of receptor-induced conformational changes in NiV-G were measured via flow virometry, allowing the proper interpretation of the viral entry kinetic phenotypes. The significance of these findings in the viral entry field extends beyond NiV to other paramyxoviruses and enveloped viruses. Virus-cell membrane fusion is essential for enveloped virus infections. However, mechanistic viral membrane fusion studies have predominantly

Measurement of the Stopping Power of Water for Carbon Ions Using Inverted Doppler Shift Attenuation

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

Rahm, J.M.; II. Physikalisches Institut, Universitaet Goettingen; Baek, W.Y.

2015-07-01

Carbon ion therapy has gained importance in cancer treatment due to its locally well confined dose distribution, but there is a significant lack of experimental data which is needed for dose calculations and estimation of biological damage. Since tissue is mainly comprised of water, the energy-dependent stopping power of water is the critical measure. Importantly, previous data gathered from experiments with light ions has been limited to water vapour and ice and neglected water in its liquid phase. Additionally, theoretical models regarding the stopping power cannot yet describe the complex charge transfer interactions of the projectile at velocities in themore » range of the mean velocity of the valence electrons of the traversed medium. There are also discrepancies in the amount of phase effects concerning water and water vapour cross sections. Despite its importance there exists no experimental data for the stopping power of water for carbon ions in the energy region between 1 MeV and 5 MeV. This may be due to the short track length of carbon ions which makes traditional transmission experiments unfeasible. Therefore a project was launched to measure the stopping power of liquid water for carbon ions in the vicinity of the Bragg peak which corresponds to the energy regime of the maximum stopping power. For this measurement the inverted Doppler shift attenuation method was used. This uses the gamma quanta emitted from excited carbon nuclei which are produced by means of the {sup 12}C(α,α'){sup 12}C* reaction. The recorded γ-spectra contain the information of the projectiles velocity at the time they decay to their ground state and an internal clock provided by the exponential decay law. The deceleration of the projectile is directly connected to the stopping power which can be determined with this method as a function of the projectiles kinetic energy. Further measurements have been carried out to improve the experimental method. The setup and the

Free flowing and cohesive powders agitation in a cylindrical convective blender- kinetics experiments and Markov chain modelling

NASA Astrophysics Data System (ADS)

Legoix, Léonard; Milhé, Mathieu; Gatumel, Cendrine; Berthiaux, Henri

2017-06-01

An original methodology for studying powder flow in a cylindrical convective blender has been developed. A free-flowing and a cohesive powder were studied, at a fixed stirring speed, in rolling regime. For both powders, three apparent flow mechanisms were evidenced: convection in the volume swept by the blades, diffusion/shearing between the agitated zone and the stagnant one, as well as in the stagnant zone itself, and avalanches at the powder bed surface between agitated and stagnant zones. After defining six zones in the blender, tracing experiments were carried out by placing appropriate tracers in different starting zones and sampling the whole bed at different stirring times, which lead to mixing kinetics of the powders into themselves. A Markov chains model of the blender allowed the quantification of the three mechanisms respective magnitude by fitting the experimental data. This simple model has a good agreement with the free-flowing powder data, but is not able to represent well the observations for the cohesive powder. Bed consolidation should probably be taken into account for this kind of powders and thus a linear Markov model is not sufficient.

Kinetics of the oxidation of hydrogen sulfite by hydrogen peroxide in aqueous solution:. ionic strength effects and temperature dependence

NASA Astrophysics Data System (ADS)

Maaß, Frank; Elias, Horst; Wannowius, Klaus J.

Conductometry was used to study the kinetics of the oxidation of hydrogen sulfite, HSO -3, by hydrogen peroxide in aqueous non-buffered solution at the low concentration level of 10 -5-10 -6 M, typically found in cloud water. The kinetic data confirm that the rate law reported for the pH range 3-6 at higher concentration levels, rate= kH·[H +]·[HSO -3]·[H 2O 2], is valid at the low concentration level and at low ionic strength Ic. At 298 K and Ic=1.5×10 -4 M, third-order rate constant kH was found to be kH=(9.1±0.5)×10 7 M -2 s -1. The temperature dependence of kH led to an activation energy of Ea=29.7±0.9 kJ mol -1. The effect of the ionic strength (adjusted with NaCl) on rate constant kH was studied in the range Ic=2×10 -4-5.0 M at pH=4.5-5.2 by conductometry and stopped-flow spectrophotometry. The dependence of kH on Ic can be described with a semi-empirical relationship, which is useful for the purpose of comparison and extrapolation. The kinetic data obtained are critically compared with those reported earlier.

Influence of Turbulent Flows in the Nozzle on Melt Flow Within a Slab Mold and Stability of the Metal-Flux Interface

NASA Astrophysics Data System (ADS)

Calderon-Ramos, Ismael; Morales, R. D.

2016-06-01

The design of the ports of a casting nozzle has profound effects on the fluid flow patterns in slab molds. The influence of these outlets have also considerable effects on the turbulent flow and turbulence variables inside the nozzle itself. To understand the effects of nozzle design, three approaches were employed: a theoretical analysis based on the turbulent viscosity hypothesis, dimensional analysis (both analyses aided by computer fluid dynamics), and experiments using particle image velocimetry. The first approach yields a linear relation between calculated magnitudes of scalar fields of ɛ (dissipation rate of kinetic energy) and k 2 (square of the turbulent kinetic energy), which is derived from the wall and the logarithmic-wall laws in the boundary layers. The smaller the slope of this linear relation is, the better the performance of a given nozzle is for maintaining the stability of the melt-flux interface. The second approach yields also a linear relation between flow rate of liquid metal and the cubic root of the dissipation rate of kinetic energy. In this case, the larger the slope of the linear relation is, the better the performance of a given nozzle is for maintaining the stability of the melt-flux interface. Finally, PIV measurements in a mold water model, together with equations for estimation of critical melt velocities for slag entrainment, were used to quantify the effects of nozzle design on the dynamics of the metal-slag interface. The three approaches agree in the characterization of turbulent flows in continuous casting molds using different nozzles.

Reduction and Oxidation of the Active Site Iron in Tyrosine Hydroxylase: Kinetics and Specificity†

PubMed Central

Frantom, Patrick A.; Seravalli, Javier; Ragsdale, Stephen W.; Fitzpatrick, Paul F.

2006-01-01

Tyrosine hydroxylase (TyrH) is a pterin-dependent enzyme that catalyzes the hydroxylation of tyrosine to form dihydroxyphenylalanine. The oxidation state of the active site iron atom plays a central role in the regulation of the enzyme. The kinetics of reduction of ferric TyrH by several reductants were determined by anaerobic stopped-flow spectroscopy. Anaerobic rapid freeze–quench EPR confirmed that the change in the near-UV absorbance of TyrH upon adding reductant corresponded to iron reduction. Tetrahydrobiopterin reduces wild-type TyrH following a simple second-order mechanism with a rate constant of 2.8 ± 0.1 mM−1 s−1. 6-Methyltetrahydropterin reduces the ferric enzyme with a second-order rate constant of 6.1 ± 0.1 mM−1 s−1 and exhibits saturation kinetics. No EPR signal for a radical intermediate was detected. Ascorbate, glutathione, and 1,4-benzoquinone all reduce ferric TyrH, but much more slowly than tetrahydrobiopterin, suggesting that the pterin is a physiological reductant. E332A TyrH, which has an elevated Km for tetrahydropterin in the catalytic reaction, is reduced by tetrahydropterins with the same kinetic parameters as those of the wild-type enzyme, suggesting that BH4 does not bind in the catalytic conformation during the reduction. Oxidation of ferrous TyrH by molecular oxygen can be described as a single-step second-order reaction, with a rate constant of 210 mM−1 s−1. S40E TyrH, which mimics the phosphorylated state of the enzyme, has oxidation and reduction kinetics similar to those of the wild-type enzyme, suggesting that phosphorylation does not directly regulate the interconversion of the ferric and ferrous forms. PMID:16475826

Phase-plane analysis of the totally asymmetric simple exclusion process with binding kinetics and switching between antiparallel lanes

PubMed Central

Kuan, Hui-Shun; Betterton, Meredith D.

2016-01-01

Motor protein motion on biopolymers can be described by models related to the totally asymmetric simple exclusion process (TASEP). Inspired by experiments on the motion of kinesin-4 motors on antiparallel microtubule overlaps, we analyze a model incorporating the TASEP on two antiparallel lanes with binding kinetics and lane switching. We determine the steady-state motor density profiles using phase-plane analysis of the steady-state mean field equations and kinetic Monte Carlo simulations. We focus on the density-density phase plane, where we find an analytic solution to the mean field model. By studying the phase-space flows, we determine the model’s fixed points and their changes with parameters. Phases previously identified for the single-lane model occur for low switching rate between lanes. We predict a multiple coexistence phase due to additional fixed points that appear as the switching rate increases: switching moves motors from the higher-density to the lower-density lane, causing local jamming and creating multiple domain walls. We determine the phase diagram of the model for both symmetric and general boundary conditions. PMID:27627345

A stochastic asymptotic-preserving scheme for a kinetic-fluid model for disperse two-phase flows with uncertainty

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

Jin, Shi, E-mail: sjin@wisc.edu; Institute of Natural Sciences, School of Mathematical Science, MOELSEC and SHL-MAC, Shanghai Jiao Tong University, Shanghai 200240; Shu, Ruiwen, E-mail: rshu2@math.wisc.edu

In this paper we consider a kinetic-fluid model for disperse two-phase flows with uncertainty. We propose a stochastic asymptotic-preserving (s-AP) scheme in the generalized polynomial chaos stochastic Galerkin (gPC-sG) framework, which allows the efficient computation of the problem in both kinetic and hydrodynamic regimes. The s-AP property is proved by deriving the equilibrium of the gPC version of the Fokker–Planck operator. The coefficient matrices that arise in a Helmholtz equation and a Poisson equation, essential ingredients of the algorithms, are proved to be positive definite under reasonable and mild assumptions. The computation of the gPC version of a translation operatormore » that arises in the inversion of the Fokker–Planck operator is accelerated by a spectrally accurate splitting method. Numerical examples illustrate the s-AP property and the efficiency of the gPC-sG method in various asymptotic regimes.« less

Stopped-pipe wind instruments: Acoustics of the panpipes

NASA Astrophysics Data System (ADS)

Fletcher, N. H.

2005-01-01

Stopped-pipe jet-excited musical instruments are known in many cultures, those best-known today being the panpipes or syrinx of Eastern Europe and of the Peruvian Andes. Although the playing style differs, in each case the instrument consists of a set of graduated bamboo pipes excited by blowing across the open tops. Details of the excitation aerodynamics warrant examination, particularly as the higher notes contain amplitudes of the even harmonics approaching those of the odd harmonics expected from a stopped pipe. Analysis shows that the jet offset is controlled by the fluid dynamics of the jet, and is such that appreciable even-harmonic excitation is generated. The theory is largely confirmed by measurements on a player. .

Stopped-pipe wind instruments: acoustics of the panpipes.

PubMed

Fletcher, N H

2005-01-01

Stopped-pipe jet-excited musical instruments are known in many cultures, those best-known today being the panpipes or syrinx of Eastern Europe and of the Peruvian Andes. Although the playing style differs, in each case the instrument consists of a set of graduated bamboo pipes excited by blowing across the open tops. Details of the excitation aerodynamics warrant examination, particularly as the higher notes contain amplitudes of the even harmonics approaching those of the odd harmonics expected from a stopped pipe. Analysis shows that the jet offset is controlled by the fluid dynamics of the jet, and is such that appreciable even-harmonic excitation is generated. The theory is largely confirmed by measurements on a player.

Electro-Hydrodynamics and Kinetic Modeling of Dry and Humid Air Flows Activated by Corona Discharges

NASA Astrophysics Data System (ADS)

P. Sarrette, J.; Eichwald, O.; Marchal, F.; Ducasse, O.; Yousfi, M.

2016-05-01

The present work is devoted to the 2D simulation of a point-to-plane Atmospheric Corona Discharge Reactor (ACDR) powered by a DC high voltage supply. The corona reactor is periodically crossed by thin mono filamentary streamers with a natural repetition frequency of some tens of kHz. The study compares the results obtained in dry air and in air mixed with a small amount of water vapour (humid air). The simulation involves the electro-dynamics, chemical kinetics and neutral gas hydrodynamics phenomena that influence the kinetics of the chemical species transformation. Each discharge lasts about one hundred of a nanosecond while the post-discharge occurring between two successive discharges lasts one hundred of a microsecond. The ACDR is crossed by a lateral dry or humid air flow initially polluted with 400 ppm of NO. After 5 ms, the time corresponding to the occurrence of 50 successive discharge/post-discharge phases, a higher NO removal rate and a lower ozone production rate are found in humid air. This change is due to the presence of the HO2 species formed from the H primary radical in the discharge zone.

Energy transfer, pressure tensor, and heating of kinetic plasma

NASA Astrophysics Data System (ADS)

Yang, Yan; Matthaeus, William H.; Parashar, Tulasi N.; Haggerty, Colby C.; Roytershteyn, Vadim; Daughton, William; Wan, Minping; Shi, Yipeng; Chen, Shiyi

2017-07-01

Kinetic plasma turbulence cascade spans multiple scales ranging from macroscopic fluid flow to sub-electron scales. Mechanisms that dissipate large scale energy, terminate the inertial range cascade, and convert kinetic energy into heat are hotly debated. Here, we revisit these puzzles using fully kinetic simulation. By performing scale-dependent spatial filtering on the Vlasov equation, we extract information at prescribed scales and introduce several energy transfer functions. This approach allows highly inhomogeneous energy cascade to be quantified as it proceeds down to kinetic scales. The pressure work, - ( P . ∇ ) . u , can trigger a channel of the energy conversion between fluid flow and random motions, which contains a collision-free generalization of the viscous dissipation in collisional fluid. Both the energy transfer and the pressure work are strongly correlated with velocity gradients.

Computational prediction of muon stopping sites using ab initio random structure searching (AIRSS)

NASA Astrophysics Data System (ADS)

Liborio, Leandro; Sturniolo, Simone; Jochym, Dominik

2018-04-01

The stopping site of the muon in a muon-spin relaxation experiment is in general unknown. There are some techniques that can be used to guess the muon stopping site, but they often rely on approximations and are not generally applicable to all cases. In this work, we propose a purely theoretical method to predict muon stopping sites in crystalline materials from first principles. The method is based on a combination of ab initio calculations, random structure searching, and machine learning, and it has successfully predicted the MuT and MuBC stopping sites of muonium in Si, diamond, and Ge, as well as the muonium stopping site in LiF, without any recourse to experimental results. The method makes use of Soprano, a Python library developed to aid ab initio computational crystallography, that was publicly released and contains all the software tools necessary to reproduce our analysis.

A Conceptual Approach for Optimising Bus Stop Spacing

NASA Astrophysics Data System (ADS)

Johar, Amita; Jain, S. S.; Garg, P. k.

2017-06-01

An efficient public transportation system is essential of any country. The growth, development and shape of the urban areas are mainly due to availability of good transportation (Shah et al. in Inst Town Plan India J 5(3):50-59, 1). In developing countries, like India, travel by local bus in a city is very common. The accidents, congestion, pollution and appropriate location of bus stops are the major problems arising in metropolitan cities. Among all the metropolitan cities in India, Delhi has highest percentage of growth of population and vehicles. Therefore, it is important to adopt efficient and effective ways to improve mobility in different metropolitan cities in order to overcome the problem and to reduce the number of private vehicles on the road. The primary objective of this paper is to present a methodology for developing a model for optimum bus stop spacing (OBSS). It describes the evaluation of existing urban bus route, data collection, development of model for optimizing urban bus route and application of model. In this work, the bus passenger generalized cost method is used to optimize the spacing between bus stops. For the development of model, a computer program is required to be written. The applicability of the model has been evaluated by taking the data of urban bus route of Delhi Transport Corporation (DTC) in Excel sheet in first phase. Later on, it is proposed to develop a programming in C++ language. The developed model is expected to be useful to transport planner for rational design of the spacing of bus stops to save travel time and to generalize operating cost. After analysis it is found that spacing between the bus stop comes out to be between 250 and 500 m. The Proposed Spacing of bus stops is done considering the points that they don't come nearer to metro/rail station, entry or exit of flyover and near traffic signal.

Origin of the inertial deviation from Darcy's law: An investigation from a microscopic flow analysis on two-dimensional model structures

NASA Astrophysics Data System (ADS)

Agnaou, Mehrez; Lasseux, Didier; Ahmadi, Azita

2017-10-01

Inertial flow in porous media occurs in many situations of practical relevance among which one can cite flows in column reactors, in filters, in aquifers, or near wells for hydrocarbon recovery. It is characterized by a deviation from Darcy's law that leads to a nonlinear relationship between the pressure drop and the filtration velocity. In this work, this deviation, also known as the nonlinear, inertial, correction to Darcy's law, which is subject to controversy upon its origin and dependence on the filtration velocity, is studied through numerical simulations. First, the microscopic flow problem was solved computationally for a wide range of Reynolds numbers up to the limit of steady flow within ordered and disordered porous structures. In a second step, the macroscopic characteristics of the porous medium and flow (permeability and inertial correction tensors) that appear in the macroscale model were computed. From these results, different flow regimes were identified: (1) the weak inertia regime where the inertial correction has a cubic dependence on the filtration velocity and (2) the strong inertia (Forchheimer) regime where the inertial correction depends on the square of the filtration velocity. However, the existence and origin of those regimes, which depend also on the microstructure and flow orientation, are still not well understood in terms of their physical interpretations, as many causes have been conjectured in the literature. In the present study, we provide an in-depth analysis of the flow structure to identify the origin of the deviation from Darcy's law. For accuracy and clarity purposes, this is carried out on two-dimensional structures. Unlike the previous studies reported in the literature, where the origin of inertial effects is often identified on a heuristic basis, a theoretical justification is presented in this work. Indeed, a decomposition of the convective inertial term into two components is carried out formally allowing the

Depletion kinetics of circulating prostate cancer cells studied by in vivo flow cytometer

NASA Astrophysics Data System (ADS)

Liu, Guangda; Guo, Jin; Li, Yan; Chen, Yun; Gu, Zhengqin; Chen, Tong; Wang, Cheng; Wei, Xunbin

2010-11-01

Prostate cancer is the most common malignancy in American men and the second leading cause of deaths from cancer, after lung cancer. The tumor usually grows slowly and remains confined to the gland for many years. During this time, the tumor produces little or no symptoms or outward signs. As the cancer advances, however, it can metastasize throughout other areas of the body, such as the bones, lungs, and liver. Surgical resection, hormonal therapy, chemotherapy and radiation therapy are the foundation of current prostate cancer therapies. Treatments for prostate cause both short- and long-term side effects that may be difficult to accept. Molecular mechanisms of prostate cancer metastasis need to be understood better and new therapies must be developed to selectively target to unique characteristics of cancer cell growth and metastasis. We have developed the "in vivo microscopy" to study the mechanisms that govern prostate cancer cell spread through the microenvironment in vivo in real-time confocal nearinfrared fluorescence imaging. A recently developed "in vivo flow cytometer" and optical imaging are used to assess prostate cancer cell spreading and the circulation kinetics of prostate cancer cells. A real- time quantitative monitoring of circulating prostate cancer cells by the in vivo flow cytometer will be useful to assess the effectiveness of the potential therapeutic interventions.

Online quench-flow electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry for elucidating kinetic and chemical enzymatic reaction mechanisms.

PubMed

Clarke, David J; Stokes, Adam A; Langridge-Smith, Pat; Mackay, C Logan

2010-03-01

We have developed an automated quench-flow microreactor which interfaces directly to an electrospray ionization (ESI) mass spectrometer. We have used this device in conjunction with ESI Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) to demonstrate the potential of this approach for studying the mechanistic details of enzyme reactions. For the model system chosen to test this device, namely, the pre-steady-state hydrolysis of p-nitrophenyl acetate by the enzyme chymotrypsin, the kinetic parameters obtained are in good agreement with those in the literature. To our knowledge, this is the first reported use of online quench-flow coupled with FTICR MS. Furthermore, we have exploited the power of FTICR MS to interrogate the quenched covalently bound enzyme intermediate using top-down fragmentation. The accurate mass capabilities of FTICR MS permitted the nature of the intermediate to be assigned with high confidence. Electron capture dissociation (ECD) fragmentation allowed us to locate the intermediate to a five amino acid section of the protein--which includes the known catalytic residue, Ser(195). This experimental approach, which uniquely can provide both kinetic and chemical details of enzyme mechanisms, is a potentially powerful tool for studies of enzyme catalysis.

Kinetics of antigen binding to arrays of antibodies in different sized spots

NASA Technical Reports Server (NTRS)

Sapsford, K. E.; Liron, Z.; Shubin, Y. S.; Ligler, F. S.

2001-01-01

A fluorescence-based array biosensor has been developed which can measure the binding kinetics of an antigen to an immobilized antibody in real time. A patterned array of antibodies immobilized on the surface of a planar waveguide was used to capture a Cy5-labeled antigen present in a solution that was continuously flowed over the surface. The CCD image of the waveguide was monitored continuously for 25 min. The resulting exponential rise in fluorescence signal was determined by image analysis software and fitted to a reaction-limited kinetics model, giving a kf of 3.6 x 10(5) M(-1) s(-1). Different spot sizes were then patterned on the surface of the waveguide using either a PDMS flow cell or laser exposure, producing width sizes ranging from 80 to 1145 microm. It was demonstrated that under flow conditions, the reduction of spot size did not alter the association rate of the antigen with immobilized antibody; however, as the spot width decreased to < 200 nm, the signal intensity also decreased.

14 CFR 25.675 - Stops.

Code of Federal Regulations, 2014 CFR

2014-01-01

... STANDARDS: TRANSPORT CATEGORY AIRPLANES Design and Construction Control Systems § 25.675 Stops. (a) Each control system must have stops that positively limit the range of motion of each movable aerodynamic... adjustments will not adversely affect the control characteristics of the airplane because of a change in the...

14 CFR 23.675 - Stops.

Code of Federal Regulations, 2010 CFR

2010-01-01

... STANDARDS: NORMAL, UTILITY, ACROBATIC, AND COMMUTER CATEGORY AIRPLANES Design and Construction Control Systems § 23.675 Stops. (a) Each control system must have stops that positively limit the range of motion... loads corresponding to the design conditions for the control system. [Amdt. 23-17, 41 FR 55464, Dec. 20...

14 CFR 25.675 - Stops.

Code of Federal Regulations, 2011 CFR

2011-01-01

... STANDARDS: TRANSPORT CATEGORY AIRPLANES Design and Construction Control Systems § 25.675 Stops. (a) Each control system must have stops that positively limit the range of motion of each movable aerodynamic... adjustments will not adversely affect the control characteristics of the airplane because of a change in the...

14 CFR 25.675 - Stops.

Code of Federal Regulations, 2012 CFR

2012-01-01

... STANDARDS: TRANSPORT CATEGORY AIRPLANES Design and Construction Control Systems § 25.675 Stops. (a) Each control system must have stops that positively limit the range of motion of each movable aerodynamic... adjustments will not adversely affect the control characteristics of the airplane because of a change in the...

14 CFR 23.675 - Stops.

Code of Federal Regulations, 2014 CFR

2014-01-01

... STANDARDS: NORMAL, UTILITY, ACROBATIC, AND COMMUTER CATEGORY AIRPLANES Design and Construction Control Systems § 23.675 Stops. (a) Each control system must have stops that positively limit the range of motion... loads corresponding to the design conditions for the control system. [Amdt. 23-17, 41 FR 55464, Dec. 20...

14 CFR 23.675 - Stops.

Code of Federal Regulations, 2011 CFR

2011-01-01

... STANDARDS: NORMAL, UTILITY, ACROBATIC, AND COMMUTER CATEGORY AIRPLANES Design and Construction Control Systems § 23.675 Stops. (a) Each control system must have stops that positively limit the range of motion... loads corresponding to the design conditions for the control system. [Amdt. 23-17, 41 FR 55464, Dec. 20...