CC, CS, and IOS generalized phenomenological cross sections for atom--diatom mixtures

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

Fitz, D.E.; Kouri, D.J.; Evans, D.

1981-05-01

Close coupled expressions for phenomenological cross sections which describe transport properties of atom--diatom mixtures are obtained in the total-J coupling scheme and are related to the bracket integrals of kinetic theory. Coupled states and infinite order sudden expressions for the generalized phenomenological cross sections using initial, final, and average l-labeling are also given. Particular care is taken to use a phase convention for the CS and IOS approximations which is consistent with the Arthurs--Dalgarno formalism and which gives the correct behavior of degeneracy averaged differential cross sections.

Evaluation of kinetic uncertainty in numerical models of petroleum generation

USGS Publications Warehouse

Peters, K.E.; Walters, C.C.; Mankiewicz, P.J.

2006-01-01

Oil-prone marine petroleum source rocks contain type I or type II kerogen having Rock-Eval pyrolysis hydrogen indices greater than 600 or 300-600 mg hydrocarbon/g total organic carbon (HI, mg HC/g TOC), respectively. Samples from 29 marine source rocks worldwide that contain mainly type II kerogen (HI = 230-786 mg HC/g TOC) were subjected to open-system programmed pyrolysis to determine the activation energy distributions for petroleum generation. Assuming a burial heating rate of 1??C/m.y. for each measured activation energy distribution, the calculated average temperature for 50% fractional conversion of the kerogen in the samples to petroleum is approximately 136 ?? 7??C, but the range spans about 30??C (???121-151??C). Fifty-two outcrop samples of thermally immature Jurassic Oxford Clay Formation were collected from five locations in the United Kingdom to determine the variations of kinetic response for one source rock unit. The samples contain mainly type I or type II kerogens (HI = 230-774 mg HC/g TOC). At a heating rate of 1??C/m.y., the calculated temperatures for 50% fractional conversion of the Oxford Clay kerogens to petroleum differ by as much as 23??C (127-150??C). The data indicate that kerogen type, as defined by hydrogen index, is not systematically linked to kinetic response, and that default kinetics for the thermal decomposition of type I or type II kerogen can introduce unacceptable errors into numerical simulations. Furthermore, custom kinetics based on one or a few samples may be inadequate to account for variations in organofacies within a source rock. We propose three methods to evaluate the uncertainty contributed by kerogen kinetics to numerical simulations: (1) use the average kinetic distribution for multiple samples of source rock and the standard deviation for each activation energy in that distribution; (2) use source rock kinetics determined at several locations to describe different parts of the study area; and (3) use a weighted-average method that combines kinetics for samples from different locations in the source rock unit by giving the activation energy distribution for each sample a weight proportional to its Rock-Eval pyrolysis S2 yield (hydrocarbons generated by pyrolytic degradation of organic matter). Copyright ?? 2006. The American Association of Petroleum Geologists. All rights reserved.

Molecular dynamic simulations of the high-speed copper nanoparticles collision with the aluminum surface

NASA Astrophysics Data System (ADS)

Pogorelko, V. V.; Mayer, A. E.

2016-11-01

With the use of the molecular dynamic simulations, we investigated the effect of the high-speed (500 m/s, 1000 m/s) copper nanoparticle impact on the mechanical properties of an aluminum surface. Dislocation analysis shows that a large number of dislocations are formed in the impact area; the total length of dislocations is determined not only by the speed and size of the incoming copper nanoparticle (kinetic energy of the nanoparticle), but by a temperature of the system as well. The dislocations occupy the whole area of the aluminum single crystal at high kinetic energy of the nanoparticle. With the decrease of the nanoparticle kinetic energy, the dislocation structures are formed in the near-surface layer; formation of the dislocation loops takes place. Temperature rise of the system (aluminum substrate + nanoparticle) reduces the total dislocation length in the single crystal of aluminum; there is deeper penetration of the copper atoms in the aluminum at high temperatures. Average energy of the nanoparticles and room temperature of the system are optimal for production of high-quality layers of copper on the aluminum surface.

Dynamical description of the fission process using the TD-BCS theory

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

Scamps, Guillaume, E-mail: scamps@nucl.phys.tohoku.ac.jp; Simenel, Cédric; Lacroix, Denis

2015-10-15

The description of fission remains a challenge for nuclear microscopic theories. The time-dependent Hartree-Fock approach with BCS pairing is applied to study the last stage of the fission process. A good agreement is found for the one-body observables: the total kinetic energy and the average mass asymmetry. The non-physical dependence of two-body observables with the initial shape is discussed.

Exploring the performance of thin-film superconducting multilayers as kinetic inductance detectors for low-frequency detection

NASA Astrophysics Data System (ADS)

Zhao, Songyuan; Goldie, D. J.; Withington, S.; Thomas, C. N.

2018-01-01

We have solved numerically the diffusive Usadel equations that describe the spatially varying superconducting proximity effect in Ti-Al thin-film bi- and trilayers with thickness values that are suitable for kinetic inductance detectors (KIDs) to operate as photon detectors with detection thresholds in the frequency range of 50-90 GHz. Using Nam’s extension of the Mattis-Bardeen calculation of the superconductor complex conductivity, we show how to calculate the surface impedance for the spatially varying case, and hence the surface impedance quality factor. In addition, we calculate energy-and spatially-averaged quasiparticle lifetimes at temperatures well-below the transition temperature and compare to calculation in Al. Our results for the pair-breaking threshold demonstrate differences between bilayers and trilayers with the same total film thicknesses. We also predict high quality factors and long multilayer-averaged quasiparticle recombination times compared to thin-film Al. Our calculations give a route for designing KIDs to operate in this scientifically-important frequency regime.

Observation and analysis of tidal and residual current in the North Yellow Sea in the spring

NASA Astrophysics Data System (ADS)

Miao, Qingsheng; Yang, Jinkun; Yang, Yang; Wan, Fangfang; Yu, Jia

2018-02-01

In order to study the current characteristics of the North Yellow Sea (NYS), 4 moored ADCPs (Acoustic Doppler Current Profilers) were deployed and Current characteristics were analyzed based on the observations. Results show that tidal current is the dominant and M2 is the main constituent. Shallow water constituents are obvious in the near-shore area, and tidal current ellipses directions have relations with topography. Residual currents in the Bohai Strait point to the Bohai Sea interior and the magnitude have a connection with terrain. Residual current in south NYS can be divided into two layers, and energy of residual current only accounts for about 13% of the total energy. Barotropic eddy kinetic energy plays a major role and the average in NYS accounts for 87%, baroclinic mean kinetic energy is larger in north NYS, in other regions barotropic mean kinetic energy take the leading position.

Total Kinetic Energy and Fragment Mass Distribution of Neutron-Induced Fission of U-233

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

Higgins, Daniel James; Schmitt, Kyle Thomas; Mosby, Shea Morgan

Properties of fission in U-233 were studied at the Los Alamos Neutron Science Center (LANSCE) at incident neutron energies from thermal to 40 MeV at both the Lujan Neutron Scattering Center flight path 12 and at WNR flight path 90-Left from Dec 2016 to Jan 2017. Fission fragments are observed in coincidence using a twin ionization chamber with Frisch grids. The average total kinetic energy (TKE) released from fission and fragment mass distributions are calculated from observations of energy deposited in the detector and conservation of mass and momentum. Accurate experimental measurements of these parameters are necessary to better understandmore » the fission process and obtain data necessary for calculating criticality. The average TKE released from fission has been well characterized for several isotopes at thermal neutron energy, however, few measurements have been made at fast neutron energies. This experiment expands on previous successful experiments using an ionization chamber to measure TKE and fragment mass distributions of U-235, U-238, and Pu-239. This experiment requires the full spectrum of neutron energies and can therefore only be performed at a small number of facilities in the world. The required full neutron energy spectrum is obtained by combining measurements from WNR 90L and Lujan FP12 at LANSCE.« less

Mass Yields and Average Total Kinetic Energy Release in Fission for 235U, 238U, and 239Pu

NASA Astrophysics Data System (ADS)

Duke, Dana

2015-10-01

Mass yield distributions and average total kinetic energy (TKE) in neutron induced fission of 235U, 238U, and 239Pu targets were measured with a gridded ionization chamber. Despite decades of fission research, our understanding of how fragment mass yields and TKE depend on incident neutron energy is limited, especially at higher energies (above 5-10 MeV). Improved accuracy in these quantities is important for nuclear technology as it enhances our simulation capabilities and increases the confidence in diagnostic tools. The data can also guide and validate theoretical fission models where the correlation between the fragment mass and TKE is of particular value for constraining models. The Los Alamos Neutron Science Center - Weapons Neutron Research (LANSCE - WNR) provides a neutron beam with energies from thermal to hundreds of MeV, well-suited for filling in the gaps in existing data and exploring fission behavior in the fast neutron region. The results of the studies on target nuclei 235U, 238U, and 239Pu will be presented with a focus on exploring data trends as a function of neutron energy from thermal through 30 MeV. Results indicate clear evidence of structure due to multi-chance fission in the TKE . LA-UR-15-24761.

Neutron-fragment and Neutron-neutron Correlations in Low-energy Fission

NASA Astrophysics Data System (ADS)

Lestone, J. P.

2016-01-01

A computational method has been developed to simulate neutron emission from thermal-neutron induced fission of 235U and from spontaneous fission of 252Cf. Measured pre-emission mass-yield curves, average total kinetic energies and their variances, both as functions of mass split, are used to obtain a representation of the distribution of fragment velocities. Measured average neutron multiplicities as a function of mass split and their dependence on total kinetic energy are used. Simulations can be made to reproduce measured factorial moments of neutron-multiplicity distributions with only minor empirical adjustments to some experimental inputs. The neutron-emission spectra in the rest-frame of the fragments are highly constrained by ENDF/B-VII.1 prompt-fission neutron-spectra evaluations. The n-f correlation measurements of Vorobyev et al. (2010) are consistent with predictions where all neutrons are assumed to be evaporated isotropically from the rest frame of fully accelerated fragments. Measured n-f and n-n correlations of others are a little weaker than the predictions presented here. These weaker correlations could be used to infer a weak scission-neutron source. However, the effect of neutron scattering on the experimental results must be studied in detail before moving away from a null hypothesis that all neutrons are evaporated from the fragments.

Effect of Shrouding Gas Temperature on Characteristics of a Supersonic Jet Flow Field with a Shrouding Laval Nozzle Structure

NASA Astrophysics Data System (ADS)

Liu, Fuhai; Sun, Dongbai; Zhu, Rong; Li, Yilin

2018-05-01

Coherent jet technology was been widely used in the electric arc furnace steelmaking process to protect the kinetic energy of supersonic oxygen jets and achieve a better mixing effect. For this technology, the total temperature distribution of the shrouding jet has a great impact on the velocity of the main oxygen jet. In this article, a supersonic shrouding nozzle using a preheating shrouding jet is proposed to increase the shrouding jet velocity. Both numerical simulation and experimental studies were carried out to analyze its effect on the axial velocity, total temperature and turbulence kinetic energy profiles of the main oxygen jet. Based on these results, it was found that a significant amount of kinetic energy was removed from the main oxygen jet when it passed though the shock wave using a high-temperature shrouding jet, which made the average axial velocity of the coherent jet lower than for a conventional jet in the potential core region. However, the supersonic shrouding nozzle and preheating technology employed for this nozzle design significantly improved the shrouding gas velocity, forming a low-density gas zone at the exit of the main oxygen jet and prolonging the velocity potential core length.

[Evaluation of the influence of humidity and temperature on the drug stability by initial average rate experiment].

PubMed

He, Ning; Sun, Hechun; Dai, Miaomiao

2014-05-01

To evaluate the influence of temperature and humidity on the drug stability by initial average rate experiment, and to obtained the kinetic parameters. The effect of concentration error, drug degradation extent, humidity and temperature numbers, humidity and temperature range, and average humidity and temperature on the accuracy and precision of kinetic parameters in the initial average rate experiment was explored. The stability of vitamin C, as a solid state model, was investigated by an initial average rate experiment. Under the same experimental conditions, the kinetic parameters obtained from this proposed method were comparable to those from classical isothermal experiment at constant humidity. The estimates were more accurate and precise by controlling the extent of drug degradation, changing humidity and temperature range, or by setting the average temperature closer to room temperature. Compared with isothermal experiments at constant humidity, our proposed method saves time, labor, and materials.

Evaluation of bioaccumulation kinetics of gold nanorods in vital mammalian organs by means of total reflection X-ray fluorescence spectrometry.

PubMed

Fernández-Ruiz, Ramón; Redrejo, María Jesús; Friedrich, Eberhardt Josué; Ramos, Milagros; Fernández, Tamara

2014-08-05

This work presents the first application of total-reflection X-ray fluorescence (TXRF) spectrometry, a new and powerful alternative analytical method, to evaluation of the bioaccumulation kinetics of gold nanorods (GNRs) in various tissues upon intravenous administration in mice. The analytical parameters for developed methodology by TXRF were evaluated by means of the parallel analysis of bovine liver certified reference material samples (BCR-185R) doped with 10 μg/g gold. The average values (n = 5) achieved for gold measurements in lyophilized tissue weight were as follows: recovery 99.7%, expanded uncertainty (k = 2) 7%, repeatability 1.7%, detection limit 112 ng/g, and quantification limit 370 ng/g. The GNR bioaccumulation kinetics was analyzed in several vital mammalian organs such as liver, spleen, brain, and lung at different times. Additionally, urine samples were analyzed to study the kinetics of elimination of the GNRs by this excretion route. The main achievement was clearly differentiating two kinds of behaviors. GNRs were quickly bioaccumulated by highly vascular filtration organs such as liver and spleen, while GNRs do not show a bioaccumulation rates in brain and lung for the period of time investigated. In parallel, urine also shows a lack of GNR accumulation. TXRF has proven to be a powerful, versatile, and precise analytical technique for the evaluation of GNRs content in biological systems and, in a more general way, for any kind of metallic nanoparticles.

Dry-thermophilic anaerobic digestion of organic fraction of municipal solid waste: methane production modeling.

PubMed

Fdez-Güelfo, L A; Alvarez-Gallego, C; Sales, D; García, L I Romero

2012-03-01

The influence of particle size and organic matter content of organic fraction of municipal solid waste (OFMSW) in the overall kinetics of dry (30% total solids) thermophilic (55°C) anaerobic digestion have been studied in a semi-continuous stirred tank reactor (SSTR). Two types of wastes were used: synthetic OFMSW (average particle size of 1mm; 0.71 g Volatile Solids/g waste), and OFMSW coming from a composting full scale plant (average particle size of 30 mm; 0.16 g Volatile Solids/g waste). A modification of a widely-validated product-generation kinetic model has been proposed. Results obtained from the modified-model parameterization at steady-state (that include new kinetic parameters as K, Y(pMAX) and θ(MIN)) indicate that the features of the feedstock strongly influence the kinetics of the process. The overall specific growth rate of microorganisms (μ(max)) with synthetic OFMSW is 43% higher compared to OFMSW coming from a composting full scale plant: 0.238 d(-1) (K=1.391 d(-1); Y(pMAX)=1.167 L CH(4)/gDOC(c); θ(MIN)=7.924 days) vs. 0.135 d(-1) (K=1.282 d(-1); Y(pMAX)=1.150 L CH(4)/gDOC(c); θ(MIN)=9.997 days) respectively. Finally, it could be emphasized that the validation of proposed modified-model has been performed successfully by means of the simulation of non-steady state data for the different SRTs tested with each waste. Copyright © 2011 Elsevier Ltd. All rights reserved.

Theoretical Analysis of Drug Dissolution: I. Solubility and Intrinsic Dissolution Rate.

PubMed

Shekunov, Boris; Montgomery, Eda Ross

2016-09-01

The first-principles approach presented in this work combines surface kinetics and convective diffusion modeling applied to compounds with pH-dependent solubility and in different dissolution media. This analysis is based on experimental data available for approximately 100 compounds of pharmaceutical interest. Overall, there is a linear relationship between the drug solubility and intrinsic dissolution rate expressed through the total kinetic coefficient of dissolution and dimensionless numbers defining the mass transfer regime. The contribution of surface kinetics appears to be significant constituting on average ∼20% resistance to the dissolution flux in the compendial rotating disk apparatus at 100 rpm. The surface kinetics contribution becomes more dominant under conditions of fast laminar or turbulent flows or in cases when the surface kinetic coefficient may decrease as a function of solution composition or pH. Limitations of the well-known convective diffusion equation for rotating disk by Levich are examined using direct computational modeling with simultaneous dissociation and acid-base reactions in which intrinsic dissolution rate is strongly dependent on pH profile and solution ionic strength. It is shown that concept of diffusion boundary layer does not strictly apply for reacting/interacting species and that thin-film diffusion models cannot be used quantitatively in general case. Copyright © 2016. Published by Elsevier Inc.

[A comparative study of biodegradation kinetics of biopolymer systems based on poly(3-hydroxybutyrate)].

PubMed

Boskhomdzhiev, A P; Banartsev, A P; Makhina, T K; Myshkina, V L; Ivanov, E A; Bagrov, D V; Filatova, E V; Iordanskiĭ, A L; Bonartseva, G A

2009-01-01

The aim of this study was to evaluate and to compare of long-term kinetics curves of biodegradation of poly(3-hydroxybutyrate) (PHB), its copolymer poly(3-hydroxybutyrate-co-3-hydroxyvalerate), and PHB/polylactic acid blend. The total weight loss and the change of average viscosity molecular weight were used as an index of biodegradation degree. The rate of biodegradation was analyzed in vitro in presence oflipase and in vivo when the films were implanted in animal tissues. The morphology of PHB films surface was studied by atomic force microscopy technique. It was shown that biodegradation of PHB is occurred by means of as polymer hydrolysis, and as its enzymatic biodegradation. The obtained data can be used for development of medical devices on the base of PHB.

Association of polychlorinated biphenyls (PCBs) with live algae and total lipids in rivers - A field-based approach

USGS Publications Warehouse

Fitzgerald, S.A.; Steuer, J.J.

2006-01-01

The association of PCBs and live algal cells in rivers was studied at four locations during four seasons in two Wisconsin rivers. Positive relations between particle-associated PCBs and both chlorophyll-a and algal carbon concentrations indicated that live algal cells were a significant sorption phase for dissolved PCBs. Large Pennate diatoms (Navicula, Synedra, Pinnularia, Diatoma, and Cocconeis), or more rarely, Euglenoids (Trachelomonas sp.), dominated most sample assemblages on an algal carbon basis. These assemblages made up the highest percentage of total SOC during spring (average=50%) and lowest during summer (average=15%). At the three impounded sites, most individual PCB congeners were relatively enriched in samples characterized by: (1) high concentrations of algal carbon (as a percent of SOC), (2) algal assemblages dominated (or co-dominated) by Euglenoids, and (3) high concentrations of total lipids. Despite relatively higher masses of sorbed PCBs in the most lipid-rich samples, there was no robust correlation between total lipid content and particle-associated PCBs when aggregating all samples from the study. A possible explanation is that PCBs are associated with other structural components in live algae and (or) departure from chemical equilibrium in the river due to algal growth kinetics. A kinetic uptake model was used to calculate the mass of PCBs associated with the total organic carbon content of live algae. Based on this model, PCBs were enriched in algal cells during bloom seasons (spring and fall) compared to non-bloom seasons (summer and winter). Further, although individual PCB congener partition coefficients (log) to live algal cells (range=5.3-6.4) overlapped to those for detritus (range=3.6-7.4), PCBs tended to be enriched in detrital carbon pools during non-bloom conditions. The larger range of estimated PCB partition coefficients for detritus likely reflects the more heterogeneous nature of this material compared to live algal cells.

Some characteristics of intense geomagnetic storms and their energy budget

NASA Astrophysics Data System (ADS)

Vichare, Geeta; Alex, S.; Lakhina, G. S.

2005-03-01

The present study analyses nine intense geomagnetic storms (∣Dst∣ > 175 nT) with the aid of ACE satellite measurements and ground magnetic field values at Alibag Magnetic Observatory. The study confirms the crucial role of southward IMF in triggering the storm main phase as well as controlling the magnitude of the storm. The main phase interval shows clear dependence on the duration of southward IMF. An attempt is made to identify the multipeak signature in the ring current energy injection rate during main phase of the storm. In order to quantify the energy budget of magnetic storms, the present paper computes the solar wind energies, magnetospheric coupling energies, auroral and Joule heating energies, and the ring current energies for each storm under examination. Computation of the solar wind- magnetosphere coupling function considers the variation of the size of the magnetosphere by using the measured solar wind ram pressure. During the main phase of the storm, the solar wind kinetic energy ranges from 9 × 1017 to 72 × 1017 J with an average of 30 × 1017 J; the total energy dissipated in the auroral ionosphere varies between 2 × 1015 and 9 × 1015 J, whereas ring current energies range from 8 × 1015 to 19 × 1015 J. For the total storm period, about 3.5% of total solar wind kinetic energy is available for the redistribution in the magnetosphere, and around 20% of this goes into the inner magnetosphere and in the auroral ionosphere of both the hemispheres. It is found that during main phase of the storm, almost 5% of the total solar wind kinetic energy is available for the redistribution in the magnetosphere, whereas during the recovery phase the percentage becomes 2.3%.

Numerical Analysis of the Trailblazer Inlet Flowfield for Hypersonic Mach Numbers

NASA Technical Reports Server (NTRS)

Steffen, C. J., Jr.; DeBonis, J. R.

1999-01-01

A study of the Trailblazer vehicle inlet was conducted using the Global Air Sampling Program (GASP) code for flight Mach numbers ranging from 4-12. Both perfect gas and finite rate chemical analysis were performed with the intention of making detailed comparisons between the two results. Inlet performance was assessed using total pressure recovery and kinetic energy efficiency. These assessments were based upon a one-dimensional stream-thrust-average of the axisymmetric flowfield. Flow visualization utilized to examine the detailed shock structures internal to this mixed-compression inlet. Kinetic energy efficiency appeared to be the least sensitive to differences between the perfect gas and finite rate chemistry results. Total pressure recovery appeared to be the most sensitive discriminator between the perfect gas and finite rate chemistry results for flight Mach numbers above Mach 6. Adiabatic wall temperature was consistently overpredicted by the perfect gas model for flight Mach numbers above Mach 4. The predicted shock structures were noticeably different for Mach numbers from 6-12. At Mach 4, the perfect gas and finite rate chemistry models collapse to the same result.

Fission Fragment Mass Distributions and Total Kinetic Energy Release of 235-Uranium and 238-Uranium in Neutron-Induced Fission at Intermediate and Fast Neutron Energies

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

Duke, Dana Lynn

2015-11-12

This Ph.D. dissertation describes a measurement of the change in mass distributions and average total kinetic energy (TKE) release with increasing incident neutron energy for fission of 235U and 238U. Although fission was discovered over seventy-five years ago, open questions remain about the physics of the fission process. The energy of the incident neutron, En, changes the division of energy release in the resulting fission fragments, however, the details of energy partitioning remain ambiguous because the nucleus is a many-body quantum system. Creating a full theoretical model is difficult and experimental data to validate existing models are lacking. Additional fissionmore » measurements will lead to higher-quality models of the fission process, therefore improving applications such as the development of next-generation nuclear reactors and defense. This work also paves the way for precision experiments such as the Time Projection Chamber (TPC) for fission cross section measurements and the Spectrometer for Ion Determination in Fission (SPIDER) for precision mass yields.« less

Correlations of neutron multiplicity and γ -ray multiplicity with fragment mass and total kinetic energy in spontaneous fission of Cf 252

DOE PAGES

Wang, Taofeng; Li, Guangwu; Zhu, Liping; ...

2016-01-08

The dependence of correlations of neutron multiplicity ν and γ-ray multiplicity M γ in spontaneous fission of 252Cf on fragment mass A* and total kinetic energy (TKE) have been investigated by employing the ratio of M γ/ν and the form of M γ(ν). We show for the first time that M γ and ν have a complex correlation for heavy fragment masses, while there is a positive dependence of Mγ for light fragment masses and for near-symmetric mass splits. The ratio M γ/ν exhibits strong shell effects for neutron magic number N=50 and near doubly magic number shell closure atmore » Z=50 and N=82. The γ-ray multiplicity Mγ has a maximum for TKE=165-170 MeV. Above 170 MeV M γ(TKE) is approximately linear, while it deviates significantly from a linear dependence at lower TKE. The correlation between the average neutron and γ-ray multiplicities can be partly reproduced by model calculations.« less

Dry-thermophilic anaerobic digestion of organic fraction of municipal solid waste: Methane production modeling

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

Fdez-Gueelfo, L.A., E-mail: alberto.fdezguelfo@uca.es; Alvarez-Gallego, C.; Sales, D.

2012-03-15

Highlights: Black-Right-Pointing-Pointer Methane generation may be modeled by means of modified product generation model of Romero Garcia (1991). Black-Right-Pointing-Pointer Organic matter content and particle size influence the kinetic parameters. Black-Right-Pointing-Pointer Higher organic matter content and lower particle size enhance the biomethanization. - Abstract: The influence of particle size and organic matter content of organic fraction of municipal solid waste (OFMSW) in the overall kinetics of dry (30% total solids) thermophilic (55 Degree-Sign C) anaerobic digestion have been studied in a semi-continuous stirred tank reactor (SSTR). Two types of wastes were used: synthetic OFMSW (average particle size of 1 mm; 0.71more » g Volatile Solids/g waste), and OFMSW coming from a composting full scale plant (average particle size of 30 mm; 0.16 g Volatile Solids/g waste). A modification of a widely-validated product-generation kinetic model has been proposed. Results obtained from the modified-model parameterization at steady-state (that include new kinetic parameters as K, Y{sub pMAX} and {theta}{sub MIN}) indicate that the features of the feedstock strongly influence the kinetics of the process. The overall specific growth rate of microorganisms ({mu}{sub max}) with synthetic OFMSW is 43% higher compared to OFMSW coming from a composting full scale plant: 0.238 d{sup -1} (K = 1.391 d{sup -1}; Y{sub pMAX} = 1.167 L CH{sub 4}/gDOC{sub c}; {theta}{sub MIN} = 7.924 days) vs. 0.135 d{sup -1} (K = 1.282 d{sup -1}; Y{sub pMAX} = 1.150 L CH{sub 4}/gDOC{sub c}; {theta}{sub MIN} = 9.997 days) respectively. Finally, it could be emphasized that the validation of proposed modified-model has been performed successfully by means of the simulation of non-steady state data for the different SRTs tested with each waste.« less

[Analysis of hydrodynamics parameters of runoff erosion and sediment-yielding on unpaved road].

PubMed

Huang, Peng-Fei; Wang, Wen-Long; Luo, Ting; Wang, Zhen; Wang, Zheng-Li; Li, Ren

2013-02-01

By the method of field runoff washout experiment, a simulation study was conducted on the relationships between the soil detachment rate and the hydrodynamic parameters on unpaved road, and the related quantitative formulas were established. Under the conditions of different flow discharges and road gradients, the averaged soil detachment rate increased with increasing flow discharge and road gradient, and the relationships between them could be described by a power function. As compared with road gradient, flow discharge had greater effects on the soil detachment rate. The soil detachment rate had a power relation with water flow velocity and runoff kinetic energy, and the runoff kinetic energy was of importance to the soil detachment rate. The soil detachment rate was linearly correlated with the unit runoff kinetic energy. The averaged soil erodibility was 0.120 g m-1.J-F-1, and the averaged critical unit runoff kinetic energy was 2.875 g.m-1.J-1. Flow discharge, road gradient, and unit runoff kinetic energy could be used to accurately describe the soil erosion process and calculate the soil erosion rate on unpaved road.

Kinetic parameters and renal clearances of plasma adenosine 3′,5′-monophosphate and guanosine 3′,5′-monophosphate in man

PubMed Central

Broadus, Arthur E.; Kaminsky, Neil I.; Hardman, Joel G.; Sutherland, Earl W.; Liddle, Grant W.

1970-01-01

Kinetic parameters and the renal clearances of plasma adenosine 3′,5′-monophosphate (cyclic AMP) and guanosine 3′,5′-monophosphate (cyclic GMP) were evaluated in normal subjects using tritium-labeled cyclic nucleotides. Each tracer was administered both by single, rapid intravenous injection and by constant intravenous infusion, and the specific activities of the cyclic nucleotides in plasma and urine were determined. Both cyclic AMP and cyclic GMP were cleared from plasma by glomerular filtration. The kidney was found to add a variable quantity of endogenous cyclic AMP to the tubular urine, amounting to an average of approximately one-third of the total level of cyclic AMP excreted. Plasma was the source of virtually all of the cyclic GMP excreted. Plasma levels of the cyclic nucleotides appeared to be in dynamic steady state. The apparent volumes of distribution of both nucleotides exceeded extracellular fluid volume, averaging 27 and 38% of body weight for cyclic AMP and cyclic GMP, respectively. Plasma production rates ranged from 9 to 17 nmoles/min for cyclic AMP and from 7 to 13 nmoles/min for cyclic GMP. Plasma clearance rates averaged 668 ml/min for cyclic AMP and 855 ml/min for cyclic GMP. Approximately 85% of the elimination of the cyclic nucleotides from the circulation was due to extrarenal clearance. PMID:5480849

Kinematic, kinetic and EMG analysis of four front crawl flip turn techniques.

PubMed

Pereira, Suzana Matheus; Ruschel, Caroline; Hubert, Marcel; Machado, Leandro; Roesler, Helio; Fernandes, Ricardo Jorge; Vilas-Boas, João Paulo

2015-01-01

This study aimed to analyse the kinematic, kinetic and electromyographic characteristics of four front crawl flip turn technique variants. The variants distinguished from each other by differences in body position (i.e., dorsal, lateral, ventral) during rolling, wall support, pushing and gliding phases. Seventeen highly trained swimmers (17.9 ± 3.2 years old) participated in interventional sessions and performed three trials of each variant, being monitored with a 3-D video system, a force platform and an electromyography (EMG) system. Studied variables: rolling time and distance, wall support time, push-off time, peak force and horizontal impulse at wall support and push-off, centre of mass horizontal velocity at the end of the push-off, gliding time, centre of mass depth, distance, average and final velocity during gliding, total turn time and electrical activity of Gastrocnemius Medialis, Tibialis Anterior, Biceps Femoris and Vastus Lateralis muscles. Depending on the variant, total turn time ranged from 2.37 ± 0.32 to 2.43 ± 0.33 s, push-off force from 1.86 ± 0.33 to 1.92 ± 0.26 BW and centre of mass velocity during gliding from 1.78 ± 0.21 to 1.94 ± 0.22 m · s(-1). The variants were not distinguishable in terms of kinematical, kinetic and EMG parameters during the rolling, wall support, pushing and gliding phases.

Evaluation and simulation of nitrogen mineralization of paddy soils in Mollisols area of Northeast China under waterlogged incubation

PubMed Central

Zhang, Yuling; Xu, Wenjing; Duan, Pengpeng; Cong, Yaohui; An, Tingting; Yu, Na; Zou, Hongtao; Dang, Xiuli; An, Jing; Fan, Qingfeng; Zhang, Yulong

2017-01-01

Background Understanding the nitrogen (N) mineralization process and applying appropriate model simulation are key factors in evaluating N mineralization. However, there are few studies of the N mineralization characteristics of paddy soils in Mollisols area of Northeast China. Materials and methods The soils were sampled from the counties of Qingan and Huachuan, which were located in Mollisols area of Northeast China. The sample soil was incubated under waterlogged at 30°C in a controlled temperature cabinet for 161 days (a 2: 1 water: soil ratio was maintained during incubation). Three models, i.e. the single first-order kinetics model, the double first-order kinetics model and the mixed first-order and zero-order kinetics model were used to simulate the cumulative mineralised N (NH4+-N and TSN) in the laboratory and waterlogged incubation. Principal results During 161 days of waterlogged incubation, the average cumulative total soluble N (TSN), ammonium N (NH4+-N), and soluble organic N (SON) was 122.2 mg kg-1, 85.9 mg kg-1, and 36.3 mg kg-1, respectively. Cumulative NH4+-N was significantly (P < 0.05) positively correlated with organic carbon (OC), total N (TN), pH, and exchangeable calcium (Ca), and cumulative TSN was significantly (P < 0.05) positively correlated with OC, TN, and exchangeable Ca, but was not significantly (P > 0.05) correlated with C/N ratio, cation exchange capacity (CEC), extractable iron (Fe), clay, and sand. When the cumulative NH4+-N and TSN were simulated, the single first-order kinetics model provided the least accurate simulation. The parameter of the double first-order kinetics model also did not represent the actual data well, but the mixed first-order and zero-order kinetics model provided the most accurate simulation, as demonstrated by the estimated standard error, F statistic values, parameter accuracy, and fitting effect. Conclusions Overall, the results showed that SON was involved with N mineralization process, and the mixed first-order and zero-order kinetics model accurately simulates the N mineralization process of paddy soil in Mollisols area of Northeast China under waterlogged incubation. PMID:28170409

Evaluation and simulation of nitrogen mineralization of paddy soils in Mollisols area of Northeast China under waterlogged incubation.

PubMed

Zhang, Yuling; Xu, Wenjing; Duan, Pengpeng; Cong, Yaohui; An, Tingting; Yu, Na; Zou, Hongtao; Dang, Xiuli; An, Jing; Fan, Qingfeng; Zhang, Yulong

2017-01-01

Understanding the nitrogen (N) mineralization process and applying appropriate model simulation are key factors in evaluating N mineralization. However, there are few studies of the N mineralization characteristics of paddy soils in Mollisols area of Northeast China. The soils were sampled from the counties of Qingan and Huachuan, which were located in Mollisols area of Northeast China. The sample soil was incubated under waterlogged at 30°C in a controlled temperature cabinet for 161 days (a 2: 1 water: soil ratio was maintained during incubation). Three models, i.e. the single first-order kinetics model, the double first-order kinetics model and the mixed first-order and zero-order kinetics model were used to simulate the cumulative mineralised N (NH4+-N and TSN) in the laboratory and waterlogged incubation. During 161 days of waterlogged incubation, the average cumulative total soluble N (TSN), ammonium N (NH4+-N), and soluble organic N (SON) was 122.2 mg kg-1, 85.9 mg kg-1, and 36.3 mg kg-1, respectively. Cumulative NH4+-N was significantly (P < 0.05) positively correlated with organic carbon (OC), total N (TN), pH, and exchangeable calcium (Ca), and cumulative TSN was significantly (P < 0.05) positively correlated with OC, TN, and exchangeable Ca, but was not significantly (P > 0.05) correlated with C/N ratio, cation exchange capacity (CEC), extractable iron (Fe), clay, and sand. When the cumulative NH4+-N and TSN were simulated, the single first-order kinetics model provided the least accurate simulation. The parameter of the double first-order kinetics model also did not represent the actual data well, but the mixed first-order and zero-order kinetics model provided the most accurate simulation, as demonstrated by the estimated standard error, F statistic values, parameter accuracy, and fitting effect. Overall, the results showed that SON was involved with N mineralization process, and the mixed first-order and zero-order kinetics model accurately simulates the N mineralization process of paddy soil in Mollisols area of Northeast China under waterlogged incubation.

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

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2005-01-01

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

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).

Probing the kinetic energy-release dynamics of H-atom products from the gas-phase reaction of O(3P) with vinyl radical C2H3.

PubMed

Jang, Su-Chan; Choi, Jong-Ho

2014-11-21

The gas-phase radical-radical reaction dynamics of ground-state atomic oxygen O((3)P) with vinyl radicals C2H3 has been studied by combining the results of vacuum-ultraviolet laser-induced fluorescence spectroscopy in a crossed beam configuration with ab initio calculations. The two radical reactants O((3)P) and C2H3 were produced by photolysis of NO2 and supersonic flash pyrolysis of C2H3I, respectively. Doppler profile analysis of the kinetic energy release of the nascent H-atom products from the title reaction O((3)P) + C2H3→ H((2)S) + CH2CO (ketene) revealed that the average translational energy of the products and the average fraction of the total available energy were 7.03 ± 0.30 kcal mol(-1) and 7.2%. The empirical data combined with CBS-QB3 level ab initio theory and statistical calculations demonstrated that the title oxygen-hydrogen exchange reaction is a major reaction channel, through an addition-elimination mechanism involving the formation of a short-lived, dynamical complex on the doublet potential energy surface. On the basis of systematic comparison with several exchange reactions of hydrocarbon radicals, the observed kinetic energy release can be explained in terms of the weak impulse at the moment of decomposition in the loose transition state with a product-like geometry and a small reverse barrier along the exit channel.

Tertiary treatment using microfiltration and UV disinfection for water reclamation

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

Jolis, D.; Hirano, R.; Pitt, P.

Microfiltration and UV disinfection are two alternative technologies for water reclamation. The results of a pilot study combining these two processes are presented. In addition to producing filtrate turbidites averaging 0.06 nephelometric turbidity units, microfiltration was an effective barrier to pathogens, demonstrating average log reductions of 4.5 for total coliforms and 2.9 for MS2 bacteriophage. Ultraviolet disinfection following microfiltration reliably met the California Wastewater Reclamation Criteria (Title 22) total coliform standard of 2.2 colony-forming units/100 mL at a UV dose of 450 J/m{sup 2}. The MS2 bacteriophage standard, which requires a 5-log reduction, was achieved by microfiltration and a UVmore » dose of 880 J/m{sup 2}. A model of the kinetics of inactivation of MS2 bacteriophage was used in further analysis of disinfection data. The model indicated that considerable backmixing occurred in the pilot UV disinfection unit, and observed UV doses could be reduced with improved hydraulics.« less

Effects of the computational domain on the secondary flow in turbulent plane Couette flow

NASA Astrophysics Data System (ADS)

Gai, Jie; Xia, Zhen-Hua; Cai, Qing-Dong

2015-10-01

A series of direct numerical simulations of the fully developed plane Couette flow at a Reynolds number of 6000 (based on the relative wall speed and half the channel height h) with different streamwise and spanwise lengths are conducted to investigate the effects of the computational box sizes on the secondary flow (SF). Our focuses are the number of counter-rotating vortex pairs and its relationship to the statistics of the mean flow and the SF in the small and moderate computational box sizes. Our results show that the number of vortex pairs is sensitive to the computational box size, and so are the slope parameter, the rate of the turbulent kinetic energy contributed by the SF, and the ratio of the kinetic energy of the SF to the total kinetic energy. However, the averaged spanwise width of each counter-rotating vortex pair in the plane Couette flow is found, for the first time, within 4(1 ± 0.25)h despite the domain sizes. Project supported by the National Natural Science Foundation of China (Grant Nos. 11221061, 11272013, and 11302006).

Characteristics and kinetics study of simultaneous pyrolysis of microalgae Chlorella vulgaris, wood and polypropylene through TGA.

PubMed

Azizi, Kolsoom; Keshavarz Moraveji, Mostafa; Abedini Najafabadi, Hamed

2017-11-01

Thermal decomposition behavior and kinetics of microalgae Chlorella vulgaris, wood and polypropylene were investigated using thermogravimetric analysis (TGA). Experiments were carried out at heating rates of 10, 20 and 40°C/min from ambient temperature to 600°C. The results show that pyrolysis process of C. vulgaris and wood can be divided into three stages while pyrolysis of polypropylene occurs almost totally in one step. It is shown that wood can delay the pyrolysis of microalgae while microalgae can accelerate the pyrolysis of wood. The existence of polymer during the pyrolysis of microalgae or wood will lead to two divided groups of peaks in DTG curve of mixtures. The results showed that interaction is inhibitive rather than synergistic during the decomposition process of materials. Kinetics of process is studied by the Kissinger-Akahira-Sunose (KAS) and Flynn-Wall-Ozawa (FWO). The average E values obtained from FWO and KAS methods were 131.228 and 142.678kJ/mol, respectively. Copyright © 2017 Elsevier Ltd. All rights reserved.

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.

An inlet analysis for the NASA hypersonic research engine aerothermodynamic integration model

NASA Technical Reports Server (NTRS)

Andrews, E. H., Jr.; Russell, J. W.; Mackley, E. A.; Simmonds, A. L.

1974-01-01

A theoretical analysis for the inlet of the NASA Hypersonic Research Engine (HRE) Aerothermodynamic Integration Model (AIM) has been undertaken by use of a method-of-characteristics computer program. The purpose of the analysis was to obtain pretest information on the full-scale HRE inlet in support of the experimental AIM program (completed May 1974). Mass-flow-ratio and additive-drag-coefficient schedules were obtained that well defined the range effected in the AIM tests. Mass-weighted average inlet total-pressure recovery, kinetic energy efficiency, and throat Mach numbers were obtained.

FAST TRACK COMMUNICATION: Inhomogeneous charge redistribution in Xe clusters exposed to an intense extreme ultraviolet free electron laser

NASA Astrophysics Data System (ADS)

Iwayama, H.; Sugishima, A.; Nagaya, K.; Yao, M.; Fukuzawa, H.; Motomura, K.; Liu, X.-J.; Yamada, A.; Wang, C.; Ueda, K.; Saito, N.; Nagasono, M.; Tono, K.; Yabashi, M.; Ishikawa, T.; Ohashi, H.; Kimura, H.; Togashi, T.

2010-08-01

The emission of highly charged ions from Xe clusters exposed to intense extreme ultraviolet laser pulses (λ ~ 52 nm) from the free electron laser in Japan was investigated using ion momentum spectroscopy. With increasing average cluster size, we observed multiply charged ions Xez + up to z = 3. From kinetic energy distributions, we found that multiply charged ions were generated near the cluster surface. Our results suggest that charges are inhomogeneously redistributed in the cluster to lower the total energy stored in the clusters.

Evidence for Dynamic Chemical Kinetics at Individual Molecular Ruthenium Catalysts.

PubMed

Easter, Quinn T; Blum, Suzanne A

2018-02-05

Catalytic cycles are typically depicted as possessing time-invariant steps with fixed rates. Yet the true behavior of individual catalysts with respect to time is unknown, hidden by the ensemble averaging inherent to bulk measurements. Evidence is presented for variable chemical kinetics at individual catalysts, with a focus on ring-opening metathesis polymerization catalyzed by the second-generation Grubbs' ruthenium catalyst. Fluorescence microscopy is used to probe the chemical kinetics of the reaction because the technique possesses sufficient sensitivity for the detection of single chemical reactions. Insertion reactions in submicron regions likely occur at groups of many (not single) catalysts, yet not so many that their unique kinetic behavior is ensemble averaged. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2004-01-01

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

Extraction kinetic modelling of total polyphenols and total anthocyanins from saffron floral bio-residues: Comparison of extraction methods.

PubMed

Da Porto, Carla; Natolino, Andrea

2018-08-30

Analysis of the extraction kinetic modelling for natural compounds is essential for industrial application. The second order rate model was applied to estimate the extraction kinetics of conventional solid-liquid extraction (CSLE), ultrasound-assisted extraction (UAE) and microwave-assisted extraction (MAE) of total polyphenols (TPC) from saffron floral bio-residues at different solid-to-liquid ratios (R S/L )(1:10, 1:20, 1:30, 1:50 g ml -1 ), ethanol 59% as solvent and 66 °C temperature. The optimum solid-to-liquid ratios for TPC kinetics were 1:20 for CLSE, 1:30 for UAE and 1:50 for MAE. The kinetics of total anthocyanins (TA) and antioxidant activity (AA) were investigated for the optimum R S/L for each method. The results showed a good prediction of the model for extraction kinetics in all experiments (R 2  > 0.99; NRMS 0.65-3.35%). The kinetic parameters were calculated and discussed. UAE, compared with the other methods, had the greater efficiency for TPC, TA and AA. Copyright © 2018 Elsevier Ltd. All rights reserved.

Replication and shedding kinetics of infectious hematopoietic necrosis virus in juvenile rainbow trout

USGS Publications Warehouse

Wargo, Andrew R.; Scott, Robert J.; Kerr, Benjamin; Kurath, Gael

2017-01-01

Viral replication and shedding are key components of transmission and fitness, the kinetics of which are heavily dependent on virus, host, and environmental factors. To date, no studies have quantified the shedding kinetics of infectious hematopoietic necrosis virus (IHNV) in rainbow trout (Oncorhynchus mykiss), or how they are associated with replication, making it difficult to ascertain the transmission dynamics of this pathogen of high agricultural and conservation importance. Here, the replication and shedding kinetics of two M genogroup IHNV genotypes were examined in their naturally co-evolved rainbow trout host. Within host virus replication began rapidly, approaching maximum values by day 3 post-infection, after which viral load was maintained or gradually dropped through day 7. Host innate immune response measured as stimulation of Mx-1 gene expression generally followed within host viral loads. Shedding also began very quickly and peaked within 2 days, defining a generally uniform early peak period of shedding from 1 to 4 days after exposure to virus. This was followed by a post-peak period where shedding declined, such that the majority of fish were no longer shedding by day 12 post-infection. Despite similar kinetics, the average shedding rate over the course of infection was significantly lower in mixed compared to single genotype infections, suggesting a competition effect, however, this did not significantly impact the total amount of virus shed. The data also indicated that the duration of shedding, rather than peak amount of virus shed, was correlated with fish mortality. Generally, the majority of virus produced during infection appeared to be shed into the environment rather than maintained in the host, although there was more retention of within host virus during the post-peak period. Viral virulence was correlated with shedding, such that the more virulent of the two genotypes shed more total virus. This fundamental understanding of IHNV shedding kinetics and variation at the individual fish level could assist with management decisions about how to respond to disease outbreaks when they occur.

Replication and shedding kinetics of infectious hematopoietic necrosis virus in juvenile rainbow trout.

PubMed

Wargo, Andrew R; Scott, Robert J; Kerr, Benjamin; Kurath, Gael

2017-01-02

Viral replication and shedding are key components of transmission and fitness, the kinetics of which are heavily dependent on virus, host, and environmental factors. To date, no studies have quantified the shedding kinetics of infectious hematopoietic necrosis virus (IHNV) in rainbow trout (Oncorhynchus mykiss), or how they are associated with replication, making it difficult to ascertain the transmission dynamics of this pathogen of high agricultural and conservation importance. Here, the replication and shedding kinetics of two M genogroup IHNV genotypes were examined in their naturally co-evolved rainbow trout host. Within host virus replication began rapidly, approaching maximum values by day 3 post-infection, after which viral load was maintained or gradually dropped through day 7. Host innate immune response measured as stimulation of Mx-1 gene expression generally followed within host viral loads. Shedding also began very quickly and peaked within 2days, defining a generally uniform early peak period of shedding from 1 to 4days after exposure to virus. This was followed by a post-peak period where shedding declined, such that the majority of fish were no longer shedding by day 12 post-infection. Despite similar kinetics, the average shedding rate over the course of infection was significantly lower in mixed compared to single genotype infections, suggesting a competition effect, however, this did not significantly impact the total amount of virus shed. The data also indicated that the duration of shedding, rather than peak amount of virus shed, was correlated with fish mortality. Generally, the majority of virus produced during infection appeared to be shed into the environment rather than maintained in the host, although there was more retention of within host virus during the post-peak period. Viral virulence was correlated with shedding, such that the more virulent of the two genotypes shed more total virus. This fundamental understanding of IHNV shedding kinetics and variation at the individual fish level could assist with management decisions about how to respond to disease outbreaks when they occur. Copyright © 2016 Elsevier B.V. All rights reserved.

Replication and shedding kinetics of infectious hematopoietic necrosis virus in juvenile rainbow trout

PubMed Central

Wargo, Andrew R.; Scott, Robert J.; Kerr, Benjamin; Kurath, Gael

2016-01-01

Viral replication and shedding are key components of transmission and fitness, the kinetics of which are heavily dependent on virus, host, and environmental factors. To date, no studies have quantified the shedding kinetics of infectious hematopoietic necrosis virus (IHNV) in rainbow trout (Oncorhynchus mykiss), or how they are associated with replication, making it difficult to ascertain the transmission dynamics of this pathogen of high agricultural and conservation importance. Here, the replication and shedding kinetics of two M genogroup IHNV genotypes were examined in their naturally co-evolved rainbow trout host. Within host virus replication began rapidly, approaching maximum values by day 3 post-infection, after which viral load was maintained or gradually dropped through day 7. Host innate immune response measured as stimulation of Mx-1 gene expression generally followed within host viral loads. Shedding also began very quickly and peaked within 2 days, defining a generally uniform early peak period of shedding from 1 to 4 days after exposure to virus. This was followed by a post-peak period where shedding declined, such that the majority offish were no longer shedding by day 12 post-infection. Despite similar kinetics, the average shedding rate over the course of infection was significantly lower in mixed compared to single genotype infections, suggesting a competition effect, however, this did not significantly impact the total amount of virus shed. The data also indicated that the duration of shedding, rather than peak amount of virus shed, was correlated with fish mortality. Generally, the majority of virus produced during infection appeared to be shed into the environment rather than maintained in the host, although there was more retention of within host virus during the post-peak period. Viral virulence was correlated with shedding, such that the more virulent of the two genotypes shed more total virus. This fundamental understanding of IHNV shedding kinetics and variation at the individual fish level could assist with management decisions about how to respond to disease outbreaks when they occur. PMID:27771253

Dielectric aggregation kinetics of cells in a uniform AC electric field.

PubMed

Tada, Shigeru; Natsuya, Tomoyuki; Tsukamoto, Akira

2014-01-01

Cell manipulation and separation technologies have potential biological and medical applications, including advanced clinical protocols such as tissue engineering. An aggregation model was developed for a human carcinoma (HeLa) cell suspension exposed to a uniform AC electric field, in order to explore the field-induced structure formation and kinetics of cell aggregates. The momentum equations of cells under the action of the dipole-dipole interaction were solved theoretically and the total time required to form linear string-like cluster was derived. The results were compared with those of a numerical simulation. Experiments using HeLa cells were also performed for comparison. The total time required to form linear string-like clusters was derived from a simple theoretical model of the cell cluster kinetics. The growth rates of the average string length of cell aggregates showed good agreement with those of the numerical simulation. In the experiment, cells were found to form massive clusters on the bottom of a chamber. The results imply that the string-like cluster grows rapidly by longitudinal attraction when the electric field is first applied and that this process slows at later times and is replaced by lateral coagulation of short strings. The findings presented here are expected to enable design of methods for the organization of three-dimensional (3D) cellular structures without the use of micro-fabricated substrates, such as 3D biopolymer scaffolds, to manipulate cells into spatial arrangement.

Anelastic and Compressible Simulation of Moist Dynamics at Planetary Scales

NASA Astrophysics Data System (ADS)

Kurowski, M.; Smolarkiewicz, P. K.; Grabowski, W.

2015-12-01

Moist anelastic and compressible numerical solutions to the planetary baroclinic instability and climate benchmarks are compared. The solutions are obtained applying a consistent numerical framework for dis- crete integrations of the various nonhydrostatic flow equations. Moist extension of the baroclinic instability benchmark is formulated as an analog of the dry case. Flow patterns, surface vertical vorticity and pressure, total kinetic energy, power spectra, and total amount of condensed water are analyzed. The climate bench- mark extends the baroclinic instability study by addressing long-term statistics of an idealized planetary equilibrium and associated meridional transports. Short-term deterministic anelastic and compressible so- lutions differ significantly. In particular, anelastic baroclinic eddies propagate faster and develop slower owing to, respectively, modified dispersion relation and abbreviated baroclinic vorticity production. These eddies also carry less kinetic energy, and the onset of their rapid growth occurs later than for the compressible solutions. The observed differences between the two solutions are sensitive to initial conditions as they di- minish for large-amplitude excitations of the instability. In particular, on the climatic time scales, the anelastic and compressible solutions evince similar zonally averaged flow patterns with the matching meridional transports of entropy, momentum, and moisture.

Chemistry of Earth's Putative Steam Atmosphere

NASA Astrophysics Data System (ADS)

Fegley, B.; Schaefer, L.

2007-12-01

The concept of a steam atmosphere generated by impact devolatilization of planetesimals accreted during Earth's formation is over 20 years old (Matsui and Abe, 1986; Lange and Ahrens, 1982). Surprisingly, with the possible exception of a few qualitative remarks, no one has critically assessed this scenario. We use thermochemical equilibrium and, where relevant, thermochemical kinetic calculations to model the chemistry of the "steam" atmosphere produced by impact volatilization of different types of accreting material. We present results for our nominal conditions (1500 K, total P = 100 bar). We also studied the effects of variable temperature and total pressure. The composition of the accreting material is modeled using average compositions of the Orgueil CI chondrite, the Murchison CM2 chondrite, the Allende CV3 chondrite, average ordinary (H, L, LL) chondrites, and average enstatite (EH, EL) chondrites. The major gases released from CI and CM chondritic material are H2O, CO2, H2, H2S, CO, CH4, and SO2 in decreasing order of abundance. About 10% of the atmosphere is CO2. The major gases released from CV chondritic material are CO2, H2O, CO, H2, and SO2 in decreasing order of abundance. About 20% of the total atmosphere is steam. The major gases released from average ordinary chondritic material are H2, CO, H2O, CO2, CH4, H2S, and N2 in decreasing order of abundance. The "steam" atmosphere is predominantly H2 + CO with steam being about 10% of the total atmosphere. The major gases released from EH chondritic material are H2, CO, H2O, CO2, N2, and CH4 in decreasing order of abundance. The "steam" atmosphere is predominantly H2 + CO with about 10% of the total atmosphere as steam. This work was supported by the NASA Astrobiology and Origins Programs.

Computer-aided sperm analysis: a useful tool to evaluate patient's response to varicocelectomy.

PubMed

Ariagno, Julia I; Mendeluk, Gabriela R; Furlan, María J; Sardi, M; Chenlo, P; Curi, Susana M; Pugliese, Mercedes N; Repetto, Herberto E; Cohen, Mariano

2017-01-01

Preoperative and postoperative sperm parameter values from infertile men with varicocele were analyzed by computer-aided sperm analysis (CASA) to assess if sperm characteristics improved after varicocelectomy. Semen samples of men with proven fertility (n = 38) and men with varicocele-related infertility (n = 61) were also analyzed. Conventional semen analysis was performed according to WHO (2010) criteria and a CASA system was employed to assess kinetic parameters and sperm concentration. Seminal parameters values in the fertile group were very far above from those of the patients, either before or after surgery. No significant improvement in the percentage normal sperm morphology (P = 0.10), sperm concentration (P = 0.52), total sperm count (P = 0.76), subjective motility (%) (P = 0.97) nor kinematics (P = 0.30) was observed after varicocelectomy when all groups were compared. Neither was significant improvement found in percentage normal sperm morphology (P = 0.91), sperm concentration (P = 0.10), total sperm count (P = 0.89) or percentage motility (P = 0.77) after varicocelectomy in paired comparisons of preoperative and postoperative data. Analysis of paired samples revealed that the total sperm count (P = 0.01) and most sperm kinetic parameters: curvilinear velocity (P = 0.002), straight-line velocity (P = 0.0004), average path velocity (P = 0.0005), linearity (P = 0.02), and wobble (P = 0.006) improved after surgery. CASA offers the potential for accurate quantitative assessment of each patient's response to varicocelectomy.

Co-pyrolysis kinetics of sewage sludge and bagasse using multiple normal distributed activation energy model (M-DAEM).

PubMed

Lin, Yan; Chen, Zhihao; Dai, Minquan; Fang, Shiwen; Liao, Yanfen; Yu, Zhaosheng; Ma, Xiaoqian

2018-07-01

In this study, the kinetic models of bagasse, sewage sludge and their mixture were established by the multiple normal distributed activation energy model. Blending with sewage sludge, the initial temperature declined from 437 K to 418 K. The pyrolytic species could be divided into five categories, including analogous hemicelluloses I, hemicelluloses II, cellulose, lignin and bio-char. In these species, the average activation energies and the deviations situated at reasonable ranges of 166.4673-323.7261 kJ/mol and 0.1063-35.2973 kJ/mol, respectively, which were conformed to the references. The kinetic models were well matched to experimental data, and the R 2 were greater than 99.999%y. In the local sensitivity analysis, the distributed average activation energy had stronger effect on the robustness than other kinetic parameters. And the content of pyrolytic species determined which series of kinetic parameters were more important. Copyright © 2018 Elsevier Ltd. All rights reserved.

ITG-TEM turbulence simulation with bounce-averaged kinetic electrons in tokamak geometry

NASA Astrophysics Data System (ADS)

Kwon, Jae-Min; Qi, Lei; Yi, S.; Hahm, T. S.

2017-06-01

We develop a novel numerical scheme to simulate electrostatic turbulence with kinetic electron responses in magnetically confined toroidal plasmas. Focusing on ion gyro-radius scale turbulences with slower frequencies than the time scales for electron parallel motions, we employ and adapt the bounce-averaged kinetic equation to model trapped electrons for nonlinear turbulence simulation with Coulomb collisions. Ions are modeled by employing the gyrokinetic equation. The newly developed scheme is implemented on a global δf particle in cell code gKPSP. By performing linear and nonlinear simulations, it is demonstrated that the new scheme can reproduce key physical properties of Ion Temperature Gradient (ITG) and Trapped Electron Mode (TEM) instabilities, and resulting turbulent transport. The overall computational cost of kinetic electrons using this novel scheme is limited to 200%-300% of the cost for simulations with adiabatic electrons. Therefore the new scheme allows us to perform kinetic simulations with trapped electrons very efficiently in magnetized plasmas.

Calculation of the total electron excitation cross section in the Born approximation using Slater wave functions for the Li (2s yields 2p), Li (2s yields 3p), Na (3s yields 4p), Mg (3p yields 4s), Ca (4s yields 4p) and K (4s yields 4p) excitations. M.S. Thesis

NASA Technical Reports Server (NTRS)

Simsic, P. L.

1974-01-01

Excitation of neutral atoms by inelastic scattering of incident electrons in gaseous nebulae were investigated using Slater Wave functions to describe the initial and final states of the atom. Total cross sections using the Born Approximation are calculated for: Li(2s yields 2p), Na(3s yields 4p), k(4s yields 4p). The intensity of emitted radiation from gaseous nebulae is also calculated, and Maxwell distribution is employed to average the kinetic energy of electrons.

Biomechanical Analysis of the Closed Kinetic Chain Upper-Extremity Stability Test.

PubMed

Tucci, Helga T; Felicio, Lilian R; McQuade, Kevin J; Bevilaqua-Grossi, Debora; Camarini, Paula Maria Ferreira; Oliveira, Anamaria S

2017-01-01

The closed kinetic chain upper-extremity stability (CKCUES) test is a functional test for the upper extremity performed in the push-up position, where individuals support their body weight on 1 hand placed on the ground and swing the opposite hand until touching the hand on the ground, then switch hands and repeat the process as fast as possible for 15 s. To study scapular kinematic and kinetic measures during the CKCUES test for 3 different distances between hands. Experimental. Laboratory. 30 healthy individuals (15 male, 15 female). Participants performed 3 repetitions of the test at 3 distance conditions: original (36 in), interacromial, and 150% interacromial distance between hands. Participants completed a questionnaire on pain intensity and perceived exertion before and after the procedures. Scapular internal/external rotation, upward/downward rotation, and posterior/anterior tilting kinematics and kinetic data on maximum force and time to maximum force were measured bilaterally in all participants. Percentage of body weight on upper extremities was calculated. Data analyses were based on the total numbers of hand touches performed for each distance condition, and scapular kinematics and kinetic values were averaged over the 3 trials. Scapular kinematics, maximum force, and time to maximum force were compared for the 3 distance conditions within each gender. Significance level was set at α = .05. Scapular internal rotation, posterior tilting, and upward rotation were significantly greater in the dominant side for both genders. Scapular upward rotation was significantly greater in original distance than interacromial distance in swing phase. Time to maximum force in women was significantly greater in the dominant side. CKCUES test kinematic and kinetic measures were not different among 3 conditions based on distance between hands. However, the test might not be suitable for initial or mild-level rehabilitation due to its challenging requirements.

Postprandial kinetics of some biotic and abiotic characteristics of the gastric ecosystem of horses fed a pelleted concentrate meal.

PubMed

Varloud, M; Fonty, G; Roussel, A; Guyonvarch, A; Julliand, V

2007-10-01

Our knowledge of the microflora of the stomach of the horse is still limited, although some data indicate its important role in nutrition. The objective of this experiment was to investigate the microbial and biochemical profiles in the stomach of the horse and to quantify the disappearance of dietary starch. Total anaerobic bacteria, lactate-utilizing bacteria, lactobacilli, and streptococci were determined, and biochemical characteristics (pH, and DM, D- and L-lactate, D-glucose, NH3, and VFA concentrations) were measured in chyme collected from 4 horses by naso-gastric intubation aided by endoscopy, at 30 min before and 60, 120, and 210 min after the meal. The total anaerobic population exhibited a linear increase (5.54 to 6.98 log10 cfu/mL; P = 0.018) within the first postprandial hour and reached 8.32 log10 cfu/mL at 210 min after the meal. The concentrations of lactobacilli, streptococci, and lactate-utilizing bacteria in the stomach contents were 5.52, 4.82, and 6.95 log10 cfu/mL, respectively. Lactate concentration increased linearly from 0.25 mmol/L before the meal to 7.98 mmol/L at the last collection point (P = 0.013). This increase was mostly due to L-lactate accumulation. The VFA concentration increased linearly (P = 0.002) during the postprandial period from 1.96 to 8.17 mmol/L. Acetate represented, on average, 78 mol/100 mol of total VFA. The average concentration of NH3 in the stomach content was 2.48 mmol/L. Dietary starch disappearance did not respond during the post-prandial period and was not consistent with previous findings. These in vivo data provide complementary information on the postprandial microbial and biochemical kinetics in the stomachs of horses and confirm its abundant microbial colonization.

The Control Based on Internal Average Kinetic Energy in Complex Environment for Multi-robot System

NASA Astrophysics Data System (ADS)

Yang, Mao; Tian, Yantao; Yin, Xianghua

In this paper, reference trajectory is designed according to minimum energy consumed for multi-robot system, which nonlinear programming and cubic spline interpolation are adopted. The control strategy is composed of two levels, which lower-level is simple PD control and the upper-level is based on the internal average kinetic energy for multi-robot system in the complex environment with velocity damping. Simulation tests verify the effectiveness of this control strategy.

Chromium Biosorption from Cr(VI) Aqueous Solutions by Cupressus lusitanica Bark: Kinetics, Equilibrium and Thermodynamic Studies.

PubMed

Netzahuatl-Muñoz, Alma Rosa; Cristiani-Urbina, María del Carmen; Cristiani-Urbina, Eliseo

2015-01-01

The present study investigated the kinetics, equilibrium and thermodynamics of chromium (Cr) ion biosorption from Cr(VI) aqueous solutions by Cupressus lusitanica bark (CLB). CLB total Cr biosorption capacity strongly depended on operating variables such as initial Cr(VI) concentration and contact time: as these variables rose, total Cr biosorption capacity increased significantly. Total Cr biosorption rate also increased with rising solution temperature. The pseudo-second-order model described the total Cr biosorption kinetic data best. Langmuir´s model fitted the experimental equilibrium biosorption data of total Cr best and predicted a maximum total Cr biosorption capacity of 305.4 mg g(-1). Total Cr biosorption by CLB is an endothermic and non-spontaneous process as indicated by the thermodynamic parameters. Results from the present kinetic, equilibrium and thermodynamic studies suggest that CLB biosorbs Cr ions from Cr(VI) aqueous solutions predominantly by a chemical sorption phenomenon. Low cost, availability, renewable nature, and effective total Cr biosorption make CLB a highly attractive and efficient method to remediate Cr(VI)-contaminated water and wastewater.

Chromium Biosorption from Cr(VI) Aqueous Solutions by Cupressus lusitanica Bark: Kinetics, Equilibrium and Thermodynamic Studies

PubMed Central

Netzahuatl-Muñoz, Alma Rosa; Cristiani-Urbina, María del Carmen; Cristiani-Urbina, Eliseo

2015-01-01

The present study investigated the kinetics, equilibrium and thermodynamics of chromium (Cr) ion biosorption from Cr(VI) aqueous solutions by Cupressus lusitanica bark (CLB). CLB total Cr biosorption capacity strongly depended on operating variables such as initial Cr(VI) concentration and contact time: as these variables rose, total Cr biosorption capacity increased significantly. Total Cr biosorption rate also increased with rising solution temperature. The pseudo-second-order model described the total Cr biosorption kinetic data best. Langmuir´s model fitted the experimental equilibrium biosorption data of total Cr best and predicted a maximum total Cr biosorption capacity of 305.4 mg g-1. Total Cr biosorption by CLB is an endothermic and non-spontaneous process as indicated by the thermodynamic parameters. Results from the present kinetic, equilibrium and thermodynamic studies suggest that CLB biosorbs Cr ions from Cr(VI) aqueous solutions predominantly by a chemical sorption phenomenon. Low cost, availability, renewable nature, and effective total Cr biosorption make CLB a highly attractive and efficient method to remediate Cr(VI)-contaminated water and wastewater. PMID:26352933

Long-Term Kinetics of Serum and Xanthoma Cholesterol Radioactivity in Patients with Hypercholesterolemia

PubMed Central

Samuel, Paul; Perl, William; Holtzman, Charles M.; Rochman, Norman D.; Lieberman, Sidney

1972-01-01

In four patients with hypercholesterolemia (type II hyperlipoproteinemia) and xanthomatosis the decay of serum cholesterol specific activity was followed for 53-63 wk after pulse labeling. Specific activity of biopsied xanthoma cholesterol was measured four times in the course of the study. The xanthoma specific activity curve crossed and thereafter remained above the serum specific activity curve. The average ratio of xanthoma to serum specific activity was 4.7 at the end of the study. The final half-time of the xanthoma decay curves was significantly greater (average: 200 days) than the slowest half-time of serum specific activity decay (average: 93 days). The data were analyzed by input-output analysis and yielded the following results. The average value for the total input rate of body cholesterol (IT) (sum of dietary and biosynthesized cholesterol) was 1.29 g/day. The average size of the rapidly miscible pool of cholesterol (Ma) was 55.7 g. and of the total exchangeable body mass of cholesterol (M) 116.5 g. The average value of M - Ma (remaining exchangeable mass of cholesterol) was 60.8 g. The derived values for exchangeable masses of cholesterol, in the present patients with marked hypercholesterolemia, were significantly larger than in a group of patients with normal serum lipids in previous studies. One of the four patients died of a sudden acute myocardial infarction 53 wk after pulse labeling. Specific activity of aortic wall and atheroma cholesterol was 3.12 times that of serum. The ratio was close to 2 for adipose tissue and spleen, and was slightly above 1 or was close to unity in most other organs studied, with the exception of brain which showed a ratio of 0.19. PMID:5009114

Testing the nonlocal kinetic energy functional of an inhomogeneous, two-dimensional degenerate Fermi gas within the average density approximation

NASA Astrophysics Data System (ADS)

Towers, J.; van Zyl, B. P.; Kirkby, W.

2015-08-01

In a recent paper [B. P. van Zyl et al., Phys. Rev. A 89, 022503 (2014), 10.1103/PhysRevA.89.022503], the average density approximation (ADA) was implemented to develop a parameter-free, nonlocal kinetic energy functional to be used in the orbital-free density functional theory of an inhomogeneous, two-dimensional (2D) Fermi gas. In this work, we provide a detailed comparison of self-consistent calculations within the ADA with the exact results of the Kohn-Sham density functional theory and the elementary Thomas-Fermi (TF) approximation. We demonstrate that the ADA for the 2D kinetic energy functional works very well under a wide variety of confinement potentials, even for relatively small particle numbers. Remarkably, the TF approximation for the kinetic energy functional, without any gradient corrections, also yields good agreement with the exact kinetic energy for all confining potentials considered, although at the expense of the spatial and kinetic energy densities exhibiting poor pointwise agreement, particularly near the TF radius. Our findings illustrate that the ADA kinetic energy functional yields accurate results for both the local and global equilibrium properties of an inhomogeneous 2D Fermi gas, without the need for any fitting parameters.

Kinetic energy distribution of multiply charged ions in Coulomb explosion of Xe clusters.

PubMed

Heidenreich, Andreas; Jortner, Joshua

2011-02-21

We report on the calculations of kinetic energy distribution (KED) functions of multiply charged, high-energy ions in Coulomb explosion (CE) of an assembly of elemental Xe(n) clusters (average size (n) = 200-2171) driven by ultra-intense, near-infrared, Gaussian laser fields (peak intensities 10(15) - 4 × 10(16) W cm(-2), pulse lengths 65-230 fs). In this cluster size and pulse parameter domain, outer ionization is incomplete∕vertical, incomplete∕nonvertical, or complete∕nonvertical, with CE occurring in the presence of nanoplasma electrons. The KEDs were obtained from double averaging of single-trajectory molecular dynamics simulation ion kinetic energies. The KEDs were doubly averaged over a log-normal cluster size distribution and over the laser intensity distribution of a spatial Gaussian beam, which constitutes either a two-dimensional (2D) or a three-dimensional (3D) profile, with the 3D profile (when the cluster beam radius is larger than the Rayleigh length) usually being experimentally realized. The general features of the doubly averaged KEDs manifest the smearing out of the structure corresponding to the distribution of ion charges, a marked increase of the KEDs at very low energies due to the contribution from the persistent nanoplasma, a distortion of the KEDs and of the average energies toward lower energy values, and the appearance of long low-intensity high-energy tails caused by the admixture of contributions from large clusters by size averaging. The doubly averaged simulation results account reasonably well (within 30%) for the experimental data for the cluster-size dependence of the CE energetics and for its dependence on the laser pulse parameters, as well as for the anisotropy in the angular distribution of the energies of the Xe(q+) ions. Possible applications of this computational study include a control of the ion kinetic energies by the choice of the laser intensity profile (2D∕3D) in the laser-cluster interaction volume.

Extending Measurements to En=30 MeV and Beyond

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

Duke, Dana Lynn

The majority of energy release in the fission process is due to the kinetic energy of the fission fragments. Average Total Kinetic Energy measurements for the major actinides over a wide range of incident neutron energies were performed at LANSCE using a Frisch-gridded ionization chamber. The experiments and results of the 238U(n,f) and 235U(n,f) will be presented, including (En), (A), and mass yield distributions as a function of neutron energy. A preliminary (En) for 239Pu(n,f) will also be shown. The (En) shows a clear structure at multichance fission thresholds for all the reactions that we studied. The fragment masses aremore » determined using the iterative double energy (2E) method, with a resolution of A = 4 - 5 amu. The correction for the prompt fission neutrons is the main source of uncertainty, especially at high incident neutron energies, since the behavior of nubar(A,En) is largely unknown. Different correction methods will be discussed.« less

Using kinetic energy measurements from altimetry to detect shifts in the positions of fronts in the Southern Ocean

NASA Astrophysics Data System (ADS)

Chambers, Don P.

2018-02-01

A novel analysis is performed utilizing cross-track kinetic energy (CKE) computed from along-track sea surface height anomalies. The midpoint of enhanced kinetic energy averaged over 3-year periods from 1993 to 2016 is determined across the Southern Ocean and examined to detect shifts in frontal positions, based on previous observations that kinetic energy is high around fronts in the Antarctic Circumpolar Current system due to jet instabilities. It is demonstrated that although the CKE does not represent the full eddy kinetic energy (computed from crossovers), the shape of the enhanced regions along ground tracks is the same, and CKE has a much finer spatial sampling of 6.9 km. Results indicate no significant shift in the front positions across the Southern Ocean, on average, although there are some localized, large movements. This is consistent with other studies utilizing sea surface temperature gradients, the latitude of mean transport, and the probability of jet occurrence, but is inconsistent with studies utilizing the movement of contours of dynamic topography.

Studies of Neutron-Induced Fission of 235U, 238U, and 239Pu

NASA Astrophysics Data System (ADS)

Duke, Dana; TKE Team

2014-09-01

A Frisch-gridded ionization chamber and the double energy (2E) analysis method were used to study mass yield distributions and average total kinetic energy (TKE) release from neutron-induced fission of 235U, 238U, and 239Pu. Despite decades of fission research, little or no TKE data exist for high incident neutron energies. Additional average TKE information at incident neutron energies relevant to defense- and energy-related applications will provide a valuable observable for benchmarking simulations. The data can also be used as inputs in theoretical fission models. The Los Alamos Neutron Science Center-Weapons Neutron Research (LANSCE - WNR) provides a neutron beam from thermal to hundreds of MeV, well-suited for filling in the gaps in existing data and exploring fission behavior in the fast neutron region. The results of the studies on 238U, 235U, and 239Pu will be presented. LA-UR-14-24921.

Some new concepts in the n-body and 3-body problems

NASA Astrophysics Data System (ADS)

Kyrala, A.

1982-06-01

A new approach to the n-body problem in terms of an rms particle velocity and a harmonic mean particle separation has been constructed by using averaging procedures formulated in terms of a single parameter. A systematic classification of escape and collision processes by means of specific polynomials, which can be used somewhat like generating functions, is introduced. For n-body problems with non-null total angular momentum, an rms angular momentum is defined which together with a harmonic mean centroidal moment of inertia characterizes the rotational kinetic energy. Finally, a graphical construction for the equipotentials of the three-body problem is given and attention is drawn to the use of the apex, defined as the point of least average separation, in this problem. It is supposed that the n-bodies interact with one another via the Newtonian potential in an inertial system.

A kinetic study of hydrolysis of polyester elastomer in magnetic tape

NASA Technical Reports Server (NTRS)

Yamamoto, K.; Watanabe, H.

1994-01-01

A useful method for kinetic study of the hydrolysis of polyester elastomer is established which uses the number-average molecular weight. The reasonableness of this method is confirmed and the effect of magnetic particles on hydrolysis is considered.

Collisional tests and an extension of the TEMPEST continuum gyrokinetic code

NASA Astrophysics Data System (ADS)

Cohen, R. H.; Dorr, M.; Hittinger, J.; Kerbel, G.; Nevins, W. M.; Rognlien, T.; Xiong, Z.; Xu, X. Q.

2006-04-01

An important requirement of a kinetic code for edge plasmas is the ability to accurately treat the effect of colllisions over a broad range of collisionalities. To test the interaction of collisions and parallel streaming, TEMPEST has been compared with published analytic and numerical (Monte Carlo, bounce-averaged Fokker-Planck) results for endloss of particles confined by combined electrostatic and magnetic wells. Good agreement is found over a wide range of collisionality, confining potential and mirror ratio, and the required velocity space resolution is modest. We also describe progress toward extension of (4-dimensional) TEMPEST into a ``kinetic edge transport code'' (a kinetic counterpart of UEDGE). The extension includes averaging of the gyrokinetic equations over fast timescales and approximating the averaged quadratic terms by diffusion terms which respect the boundaries of inaccessable regions in phase space. F. Najmabadi, R.W. Conn and R.H. Cohen, Nucl. Fusion 24, 75 (1984); T.D. Rognlien and T.A. Cutler, Nucl. Fusion 20, 1003 (1980).

TURBULENCE AND PROTON–ELECTRON HEATING IN KINETIC PLASMA

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

Matthaeus, William H; Parashar, Tulasi N; Wu, P.

2016-08-10

Analysis of particle-in-cell simulations of kinetic plasma turbulence reveals a connection between the strength of cascade, the total heating rate, and the partitioning of dissipated energy into proton heating and electron heating. A von Karman scaling of the cascade rate explains the total heating across several families of simulations. The proton to electron heating ratio increases in proportion to total heating. We argue that the ratio of gyroperiod to nonlinear turnover time at the ion kinetic scales controls the ratio of proton and electron heating. The proposed scaling is consistent with simulations.

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

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2005-01-01

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

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

NASA Technical Reports Server (NTRS)

Marek, C. John; Molnar, Melissa

2005-01-01

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

Inhibition kinetics and granular sludge in an ANAMMOX reactor treating mature landfill leachate.

PubMed

Yun, Li; Zhaoming, Zheng; Jun, Li; Baihang, Zhao; Wei, Bian; Yanzhuo, Zhang; Xiujie, Wang

2016-12-01

The present study reports the inhibition kinetics and granular sludge in an anaerobic ammonium oxidation (ANAMMOX) - up-flow anaerobic sludge blanket reactor fed with diluted mature landfill leachate. The activity of ANAMMOX bacteria was inhibited by addition of mature landfill leachate, but gradually adapted to the leachate. The system achieved efficient nitrogen removal during 65-75 d and the average removal efficiencies for NH 4 + -N, NO 2 - -N and total nitrogen (TN) were 96%, 95% and 87%, respectively. ANAMMOX was the main pathway of nitrogen removal in the system, and heterotrophic denitrification occurred simultaneously. In addition, aerobic ammonia oxidation and aerobic nitrite oxidation were active in this system. Inhibition kinetic experiments showed that the NH 4 + -N and NO 2 - -N inhibition concentration threshold of ANAMMOX were 489.03 mg/L and 192.36 mg/L, respectively. ANAMMOX was significantly inhibited by mature landfill leachate, and was completely inhibited when the leachate concentration was 1,450.69 mg/L (calculated in chemical oxygen demand). Thus, the inhibition concentration of substrate and landfill leachate should be considered when applying the ANAMMOX process to landfill leachate. The color of granular sludge ANAMMOX changed from brick-red into a reddish-brown. The particle size increased from small to large, with evident granulation of the ANAMMOX sludge.

Roughness topographical effects on mean momentum and stress budgets in developed turbulent channel flows

NASA Astrophysics Data System (ADS)

Aghaei Jouybari, Mostafa; Yuan, Junlin

2017-11-01

Direct numerical simulations of turbulent channel flows are carried out over two surfaces: a synthesized sand-grain surface and a realistic turbine roughness that is characterized by more prominent large-scale surface features. To separate the effects of wall-normal variation of the roughness area fraction from the (true) variation of flow statistics, the governing equations are area-averaged using intrinsic averaging, contrary to the usually practice based on the total area (i.e., superficial averaging). Additional terms appear in the mean-momentum equation resulted from the wall-normal variation of the solid fraction and play a role in the near-wall balance. Results from surfaces with a step solidity function (e.g., cubes) will also be discussed. Compared to the sand grains, the turbine surface generates stronger form-induced fluctuations, despite weaker dispersive shear stress. This is associated with more significant form-induced productions (comparable to shear production) in Reynolds stress budgets, weaker pressure work, and, consequently, more anisotropic redistribution of turbulent kinetic energy in the roughness sublayer, which potentially leads to different turbulent responses between the two surfaces in non-equilibrium flows.

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

Vinuesa, Ricardo; Fick, Lambert; Negi, Prabal

In the present document we describe a toolbox for the spectral-element code Nek5000, aimed at computing turbulence statistics. The toolbox is presented for a small test case, namely a square duct with L x = 2h, L y = 2h and L z = 4h, where x, y and z are the horizontal, vertical and streamwise directions, respectively. The number of elements in the xy-plane is 16 X 16 = 256, and the number of elements in z is 4, leading to a total of 1,204 spectral elements. A polynomial order of N = 5 is chosen, and the meshmore » is generated using the Nek5000 tool genbox. The toolbox presented here allows to compute mean-velocity components, the Reynolds-stress tensor as well as turbulent kinetic energy (TKE) and Reynolds-stress budgets. Note that the present toolbox allows to compute turbulence statistics in turbulent flows with one homogeneous direction (where the statistics are based on time-averaging as well as averaging in the homogeneous direction), as well as in fully three-dimensional flows (with no periodic directions, where only time-averaging is considered).« less

Solute kinetics with short-daily home hemodialysis using slow dialysate flow rate.

PubMed

Kohn, Orly F; Coe, Fredric L; Ing, Todd S

2010-01-01

"NxStage System One()" is increasingly used for daily home hemodialysis. The ultrapure dialysate volumes are typically between 15 L and 30 L per dialysis, substantially smaller than the volumes used in conventional dialysis. In this study, the impact of the use of low dialysate volumes on the removal rates of solutes of different molecular weights and volumes of distribution was evaluated. Serum measurements before and after dialysis and total dialysate collection were performed over 30 times in 5 functionally anephric patients undergoing short-daily home hemodialysis (6 d/wk) over the course of 8 to 16 months. Measured solutes included beta(2) microglobulin (beta(2)M), phosphorus, urea nitrogen, and potassium. The average spent dialysate volume (dialysate plus ultrafiltrate) was 25.4+/-4.7 L and the dialysis duration was 175+/-15 min. beta(2) microglobulin clearance of the polyethersulfone dialyzer averaged 53+/-14 mL/min. Total beta(2)M recovered in the dialysate was 106+/-42 mg per treatment (n=38). Predialysis serum beta(2)M levels remained stable over the observation period. Phosphorus removal averaged 694+/-343 mg per treatment with a mean predialysis serum phosphorus of 5.2+/-1.8 mg/dL (n=34). Standard Kt/V averaged 2.5+/-0.3 per week and correlated with the dialysate-based weekly Kt/V. Weekly beta(2)M, phosphorus, and urea nitrogen removal in patients dialyzing 6 d/wk with these relatively low dialysate volumes compared favorably with values published for thrice weekly conventional and with short-daily hemodialysis performed with machines using much higher dialysate flow rates. Results of the present study were achieved, however, with an average of 17.5 hours of dialysis per week.

Changes in Energy Cost and Total External Work of Muscles in Elite Race Walkers Walking at Different Speeds

PubMed Central

Chwała, Wiesław; Klimek, Andrzej; Mirek, Wacław

2014-01-01

The aim of the study was to assess energy cost and total external work (total energy) depending on the speed of race walking. Another objective was to determine the contribution of external work to total energy cost of walking at technical, threshold and racing speed in elite competitive race walkers. The study involved 12 competitive race walkers aged 24.9 4.10 years with 6 to 20 years of experience, who achieved a national or international sports level. Their aerobic endurance was determined by means of a direct method involving an incremental exercise test on the treadmill. The participants performed three tests walking each time with one of the three speeds according to the same protocol: an 8-minute walk with at steady speed was followed by a recovery phase until the oxygen debt was repaid. To measure exercise energy cost, an indirect method based on the volume of oxygen uptake was employed. The gait of the participants was recorded using the 3D Vicon opto-electronic motion capture system. Values of changes in potential energy and total kinetic energy in a gate cycle were determined based on vertical displacements of the centre of mass. Changes in mechanical energy amounted to the value of total external work of muscles needed to accelerate and lift the centre of mass during a normalised gait cycle. The values of average energy cost and of total external work standardised to body mass and distance covered calculated for technical speed, threshold and racing speeds turned out to be statistically significant (p 0.001). The total energy cost ranged from 51.2 kJ.m-1 during walking at technical speed to 78.3 kJ.m-1 during walking at a racing speed. Regardless of the type of speed, the total external work of muscles accounted for around 25% of total energy cost in race walking. Total external work mainly increased because of changes in the resultant kinetic energy of the centre of mass movement. PMID:25713673

Trauma potential and ballistic parameters of cal. 9 mm P.A. dummy launchers.

PubMed

Frank, Matthias; Bockholdt, Britta; Philipp, Klaus-Peter; Ekkernkamp, Axel

2010-07-15

Blank cartridge actuated dummy launching devices are used by migratory bird hunters to train dogs to retrieve downed birds. The devices create a loud noise while simultaneously propelling a hard foam dummy for retrieval. A newly developed dummy launcher is based on a modified cal. 9 mm P.A. blank handgun with an extension tube pinned and welded to the barrel imitation. Currently, there are no experimental investigations on the ballistic background and trauma potential of these uncommon shooting devices. An experimental test set-up consisting of a photoelectric infrared light barrier was used for measurement of the velocity of hard foam dummies propelled with an automatic dummy launcher. Ballistic parameters of the dummies and an aluminium sleeve as improvised projectile (kinetic energy (E), impulse (p), energy density (E') and threshold velocity (v(tsh)) to cause penetrating wounds as a function of cross-sectional density (S)) were calculated. The average velocity (v) of the dummies was measured 25.71 m/s exerting an average impulse (p) of 3.342 Ns. The average kinetic energy (E) was calculated 43.04 J with an average energy density (E') of 0.069 J/mm(2). The average velocity (v) of the aluminium sleeves as improvised projectiles was measured 79.58 m/s exerting an average impulse (p) of 2.228 Ns. The average kinetic energy (E) of the aluminium sleeves was calculated as 88.70 J with an average energy density (E') of 0.282 J/mm(2). The energy delivered by these shooting devices is high enough to cause relevant injuries. The absence of skin penetration must not mislead the emergency physician or forensic expert into neglecting the potential damage from these devices. (c) 2010 Elsevier Ireland Ltd. All rights reserved.

Kinetics of Inhibitory Feedback from Horizontal Cells to Photoreceptors: Implications for an Ephaptic Mechanism

PubMed Central

Warren, Ted J.; Van Hook, Matthew J.; Tranchina, Daniel

2016-01-01

Inhibitory feedback from horizontal cells (HCs) to cones generates center-surround receptive fields and color opponency in the retina. Mechanisms of HC feedback remain unsettled, but one hypothesis proposes that an ephaptic mechanism may alter the extracellular electrical field surrounding photoreceptor synaptic terminals, thereby altering Ca2+ channel activity and photoreceptor output. An ephaptic voltage change produced by current flowing through open channels in the HC membrane should occur with no delay. To test for this mechanism, we measured kinetics of inhibitory feedback currents in Ambystoma tigrinum cones and rods evoked by hyperpolarizing steps applied to synaptically coupled HCs. Hyperpolarizing HCs stimulated inward feedback currents in cones that averaged 8–9 pA and exhibited a biexponential time course with time constants averaging 14–17 ms and 120–220 ms. Measurement of feedback-current kinetics was limited by three factors: (1) HC voltage-clamp speed, (2) cone voltage-clamp speed, and (3) kinetics of Ca2+ channel activation or deactivation in the photoreceptor terminal. These factors totaled ∼4–5 ms in cones meaning that the true fast time constants for HC-to-cone feedback currents were 9–13 ms, slower than expected for ephaptic voltage changes. We also compared speed of feedback to feedforward glutamate release measured at the same cone/HC synapses and found a latency for feedback of 11–14 ms. Inhibitory feedback from HCs to rods was also significantly slower than either measurement kinetics or feedforward release. The finding that inhibitory feedback from HCs to photoreceptors involves a significant delay indicates that it is not due to previously proposed ephaptic mechanisms. SIGNIFICANCE STATEMENT Lateral inhibitory feedback from horizontal cells (HCs) to photoreceptors creates center-surround receptive fields and color-opponent interactions. Although underlying mechanisms remain unsettled, a longstanding hypothesis proposes that feedback is due to ephaptic voltage changes that regulate photoreceptor synaptic output by altering Ca2+ channel activity. Ephaptic processes should occur with no delay. We measured kinetics of inhibitory feedback currents evoked in photoreceptors with voltage steps applied to synaptically coupled HCs and found that feedback is too slow to be explained by ephaptic voltage changes generated by current flowing through continuously open channels in HC membranes. By eliminating the proposed ephaptic mechanism for HC feedback regulation of photoreceptor Ca2+ channels, our data support earlier proposals that synaptic cleft pH changes are more likely responsible. PMID:27683904

Budgets of divergent and rotational kinetic energy during two periods of intense convection

NASA Technical Reports Server (NTRS)

Buechler, D. E.; Fuelberg, H. E.

1986-01-01

The derivations of the energy budget equations for divergent and rotational components of kinetic energy are provided. The intense convection periods studied are: (1) synoptic scale data of 3 or 6 hour intervals and (2) mesoalphascale data every 3 hours. Composite energies and averaged budgets for the periods are presented; the effects of random data errors on derived energy parameters is investigated. The divergent kinetic energy and rotational kinetic energy budgets are compared; good correlation of the data is observed. The kinetic energies and budget terms increase with convective development; however, the conversion of the divergent and rotational energies are opposite.

[Kinetics of heifers and cows walking on an instrumented treadmill].

PubMed

Nuss, K; Waldern, N M; Weishaupt, M A; Wiestner, T

2015-01-01

Kinetic data of stride characteristics and ground reaction forces of cattle become increasingly important as automated lameness detection may be installed in dairy cow housing systems in the future. Therefore, sound heifers and cows were measured on an instrumented treadmill to collect such basic data. Nine heifers and 10 cows were trained to walk on an instrumented treadmill. Vertical ground reaction forces as well as step and stride timing and length variables were measured for all limbs simultaneously. On average, 16 stride cycles in cows and 24 strides in heifers were analysed in each case. The cows walked on the treadmill at an average speed of 1.2 ± 0.05 m/s (mean ± standard deviation), with a stride rate of 43.0 ± 1.9/min and a stride length of 1.68 ± 0.1 m. The heifers had average values of 1.3 ± 0.04 m/s, 53.7 ± 2.2/min and 1.49 ± 0.05 m, respectively. The stance duration relative to stride duration (the duty factor) was for the cows significantly longer in the forelimbs (67%) than in the hind limbs (64%). Force-time-curves of all limbs showed two peaks, one after landing (FP1) and another during push off (FP2). Vertical ground reaction force was highest for FP1 in the hind limbs, but for FP2 in the forelimbs. At all limbs, force minimum between the peaks occurred shortly before midstance. The vertical impulse carried by both forelimbs amounted to 53.7% of the total stride impulse in cows and to 55.0% in heifers. The location of the centre of body mass varied during the stride cycle but was always located more towards the front limbs. Cows and heifers showed a symmetrical walk with minimal intra-individual variations. Relative stride impulse of the front limbs was higher than that of the hind limbs. Peak vertical force in the hind limbs was highest at landing and in the forelimbs at push off. The present study offers kinetic data of sound cows and heifers which might be helpful as guidelines for automated systems for lameness detection in cattle.

Organic N cycling in Arctic ecosystems: Quantifying root uptake kinetics and temporal variability of soil amino acids.

NASA Astrophysics Data System (ADS)

Homyak, P. M.; Iverson, S. L.; Slessarev, E.; Marchus, K.; Schimel, J.

2017-12-01

Arctic ecosystems are undergoing shifts in plant community composition with increased warming. How these changes may alter ecosystem function is not well constrained, owing in part to uncertainties on how plant-soil feedbacks influence nutrient cycling. For nitrogen (N), in particular, understanding how these feedbacks may alter cycling rates is challenging because i) Arctic plants take up organic N (i.e., amino acids; AA) when inorganic N is limiting, yet ii) it has never been quantified, for any plant species growing in the wild, how much of its N demand is actually met by taking up AA. To advance fundamental understanding of plant-soil feedbacks as the Arctic warms, we are integrating field measurements of AA availability in N-limited tussock tundra (E. vaginatum) and a comparably less N-limited birch shrub tundra (Betula nana and Salix spp.) with a root uptake model. We used soil microdialysis to determine available AA concentrations in the soil solution and potential rates of AA diffusion and mass flow to roots at the Toolik Field Station in Alaska. These measurements are being combined with AA root uptake kinetic experiments using E. vaginatum to establish actual AA root uptake rates. We found that in the early growing season (June), total AA concentrations in the soil solution averaged 104 µg N L-1 and were similar to NH4+ across sites. In the late growing season (August), AA were the dominant form of N averaging 75 µg N L-1 while NH4+ decreased to 13 µg N L-1. In the early growing season AA diffusion rates in the soil averaged 200 ng N cm-2 s-1 and declined to 150 ng N cm-2 s-1 in the late growing season. Lysine, serine, and arginine were the most abundant AA and differences in the N status of sites did not affect total AA concentrations. Amino acids made up at least half of the N diffusing through the soil solution, suggesting they can subsidize the N demand of arctic plants. Ongoing field experiments at Toolik will be used to constrain actual AA root uptake rates.

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 energy flux, which changes sign early in time (a countergradient effect). The production-to-dissipation ratios corresponding to the turbulent kinetic energy and heavy-fluid mass fraction variance are large and vary strongly at small evolution times, decrease with time, and nearly asymptote as the flow enters a self-similar regime. The late-time turbulent kinetic energy production-to-dissipation ratio is larger than observed in shear-driven turbulent flows. The order of magnitude estimates of the terms in the transport equations are shown to be consistent with the DNS at late-time, and also confirms both the dominant terms and their evolutionary behavior. Thus, these results are useful for identifying the dynamically important terms requiring closure, and assessing the accuracy of the predictions of Reynolds-averaged Navier-Stokes and large-eddy simulation models of turbulent transport and mixing in transitional Rayleigh-Taylor instability-generated flow.« less

Use of Mechanistic Modeling to Assess Interindividual Variability and Interspecies Differences in Active Uptake in Human and Rat Hepatocytes

PubMed Central

Ménochet, Karelle; Kenworthy, Kathryn E.; Houston, J. Brian

2012-01-01

Interindividual variability in activity of uptake transporters is evident in vivo, yet limited data exist in vitro, confounding in vitro-in vivo extrapolation. The uptake kinetics of seven organic anion-transporting polypeptide substrates was investigated over a concentration range in plated cryopreserved human hepatocytes. Active uptake clearance (CLactive, u), bidirectional passive diffusion (Pdiff), intracellular binding, and metabolism were estimated for bosentan, pitavastatin, pravastatin, repaglinide, rosuvastatin, telmisartan, and valsartan in HU4122 donor using a mechanistic two-compartment model in Matlab. Full uptake kinetics of rosuvastatin and repaglinide were also characterized in two additional donors, whereas for the remaining drugs CLactive, u was estimated at a single concentration. The unbound affinity constant (Km, u) and Pdiff values were consistent across donors, whereas Vmax was on average up to 2.8-fold greater in donor HU4122. Consistency in Km, u values allowed extrapolation of single concentration uptake activity data and assessment of interindividual variability in CLactive across donors. The maximal contribution of active transport to total uptake differed among donors, for example, 85 to 96% and 68 to 87% for rosuvastatin and repaglinide, respectively; however, in all cases the active process was the major contributor. In vitro-in vivo extrapolation indicated a general underprediction of hepatic intrinsic clearance, an average empirical scaling factor of 17.1 was estimated on the basis of seven drugs investigated in three hepatocyte donors, and donor-specific differences in empirical factors are discussed. Uptake Km, u and CLactive, u were on average 4.3- and 7.1-fold lower in human hepatocytes compared with our previously published rat data. A strategy for the use of rat uptake data to facilitate the experimental design in human hepatocytes is discussed. PMID:22665271

Parametrization of Drag and Turbulence for Urban Neighbourhoods with Trees

NASA Astrophysics Data System (ADS)

Krayenhoff, E. S.; Santiago, J.-L.; Martilli, A.; Christen, A.; Oke, T. R.

2015-08-01

Urban canopy parametrizations designed to be coupled with mesoscale models must predict the integrated effect of urban obstacles on the flow at each height in the canopy. To assess these neighbourhood-scale effects, results of microscale simulations may be horizontally-averaged. Obstacle-resolving computational fluid dynamics (CFD) simulations of neutrally-stratified flow through canopies of blocks (buildings) with varying distributions and densities of porous media (tree foliage) are conducted, and the spatially-averaged impacts on the flow of these building-tree combinations are assessed. The accuracy with which a one-dimensional (column) model with a one-equation (-) turbulence scheme represents spatially-averaged CFD results is evaluated. Individual physical mechanisms by which trees and buildings affect flow in the column model are evaluated in terms of relative importance. For the treed urban configurations considered, effects of buildings and trees may be considered independently. Building drag coefficients and length scale effects need not be altered due to the presence of tree foliage; therefore, parametrization of spatially-averaged flow through urban neighbourhoods with trees is greatly simplified. The new parametrization includes only source and sink terms significant for the prediction of spatially-averaged flow profiles: momentum drag due to buildings and trees (and the associated wake production of turbulent kinetic energy), modification of length scales by buildings, and enhanced dissipation of turbulent kinetic energy due to the small scale of tree foliage elements. Coefficients for the Santiago and Martilli (Boundary-Layer Meteorol 137: 417-439, 2010) parametrization of building drag coefficients and length scales are revised. Inclusion of foliage terms from the new parametrization in addition to the Santiago and Martilli building terms reduces root-mean-square difference (RMSD) of the column model streamwise velocity component and turbulent kinetic energy relative to the CFD model by 89 % in the canopy and 71 % above the canopy on average for the highest leaf area density scenarios tested: . RMSD values with the new parametrization are less than 20 % of mean layer magnitude for the streamwise velocity component within and above the canopy, and for above-canopy turbulent kinetic energy; RMSD values for within-canopy turbulent kinetic energy are negligible for most scenarios. The foliage-related portion of the new parametrization is required for scenarios with tree foliage of equal or greater height than the buildings, and for scenarios with foliage below roof height for building plan area densities less than approximately 0.25.

Clustered Single Cellulosic Fiber Dissolution Kinetics and Mechanisms through Optical Microscopy under Limited Dissolving Conditions.

PubMed

Mäkelä, Valtteri; Wahlström, Ronny; Holopainen-Mantila, Ulla; Kilpeläinen, Ilkka; King, Alistair W T

2018-05-14

Herein, we describe a new method of assessing the kinetics of dissolution of single fibers by dissolution under limited dissolving conditions. The dissolution is followed by optical microscopy under limited dissolving conditions. Videos of the dissolution were processed in ImageJ to yield kinetics for dissolution, based on the disappearance of pixels associated with intact fibers. Data processing was performed using the Python language, utilizing available scientific libraries. The methods of processing the data include clustering of the single fiber data, identifying clusters associated with different fiber types, producing average dissolution traces and also extraction of practical parameters, such as, time taken to dissolve 25, 50, 75, 95, and 99.5% of the clustered fibers. In addition to these simple parameters, exponential fitting was also performed yielding rate constants for fiber dissolution. Fits for sample and cluster averages were variable, although demonstrating first-order kinetics for dissolution overall. To illustrate this process, two reference pulps (a bleached softwood kraft pulp and a bleached hardwood pre-hydrolysis kraft pulp) and their cellulase-treated versions were analyzed. As expected, differences in the kinetics and dissolution mechanisms between these samples were observed. Our initial interpretations are presented, based on the combined mechanistic observations and single fiber dissolution kinetics for these different samples. While the dissolution mechanisms observed were similar to those published previously, the more direct link of mechanistic information with the kinetics improve our understanding of cell wall structure and pre-treatments, toward improved processability.

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.

Relativistic analogue of the Newtonian fluid energy equation with nucleosynthesis

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

Cardall, Christian Y.

In Newtonian fluid dynamics simulations in which composition has been tracked by a nuclear reaction network, energy generation due to composition changes has generally been handled as a separate source term in the energy equation. Here, a relativistic equation in conservative form for total fluid energy, obtained from the spacetime divergence of the stress-energy tensor, in principle encompasses such energy generation; but it is not explicitly manifest. An alternative relativistic energy equation in conservative form—in which the nuclear energy generation appears explicitly, and that reduces directly to the Newtonian internal+kinetic energy in the appropriate limit—emerges naturally and self-consistently from themore » difference of the equation for total fluid energy and the equation for baryon number conservation multiplied by the average baryon mass m, when m is expressed in terms of contributions from the nuclear species in the fluid, and allowed to be mutable.« less

Relativistic analogue of the Newtonian fluid energy equation with nucleosynthesis

DOE PAGES

Cardall, Christian Y.

2017-12-15

In Newtonian fluid dynamics simulations in which composition has been tracked by a nuclear reaction network, energy generation due to composition changes has generally been handled as a separate source term in the energy equation. Here, a relativistic equation in conservative form for total fluid energy, obtained from the spacetime divergence of the stress-energy tensor, in principle encompasses such energy generation; but it is not explicitly manifest. An alternative relativistic energy equation in conservative form—in which the nuclear energy generation appears explicitly, and that reduces directly to the Newtonian internal+kinetic energy in the appropriate limit—emerges naturally and self-consistently from themore » difference of the equation for total fluid energy and the equation for baryon number conservation multiplied by the average baryon mass m, when m is expressed in terms of contributions from the nuclear species in the fluid, and allowed to be mutable.« less

Multiplicity and rapidity dependence of strange hadron production in pp, pPb, and PbPb collisions at the LHC

NASA Astrophysics Data System (ADS)

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; König, A.; Krammer, M.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rad, N.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Strauss, J.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C.-E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Alderweireldt, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Knutsson, A.; Lauwers, J.; Luyckx, S.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; Daci, N.; De Bruyn, I.; Deroover, K.; Heracleous, N.; Keaveney, J.; Lowette, S.; Moortgat, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Strom, D.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Parijs, I.; Brun, H.; Caillol, C.; Clerbaux, B.; De Lentdecker, G.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Léonard, A.; Maerschalk, T.; Marinov, A.; Randle-conde, A.; Seva, T.; Vander Velde, C.; Vanlaer, P.; Yonamine, R.; Zenoni, F.; Zhang, F.; Benucci, L.; Cimmino, A.; Crucy, S.; Dobur, D.; Fagot, A.; Garcia, G.; Gul, M.; Mccartin, J.; Ocampo Rios, A. A.; Poyraz, D.; Ryckbosch, D.; Salva, S.; Schöfbeck, R.; Sigamani, M.; Tytgat, M.; Van Driessche, W.; Yazgan, E.; Zaganidis, N.; Beluffi, C.; Bondu, O.; Brochet, S.; Bruno, G.; Caudron, A.; Ceard, L.; De Visscher, S.; Delaere, C.; Delcourt, M.; Forthomme, L.; Francois, B.; Giammanco, A.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Magitteri, A.; Mertens, A.; Musich, M.; Nuttens, C.; Piotrzkowski, K.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Wertz, S.; Beliy, N.; Hammad, G. H.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Hamer, M.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Matos Figueiredo, D.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; De Souza Santos, A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Fang, W.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Cheng, T.; Du, R.; Jiang, C. H.; Leggat, D.; Plestina, R.; Romeo, F.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Asawatangtrakuldee, C.; Ban, Y.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Ferencek, D.; Kadija, K.; Luetic, J.; Micanovic, S.; Sudic, L.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M., Jr.; Carrera Jarrin, E.; Assran, Y.; Elkafrawy, T.; Ellithi Kamel, A.; Mahrous, A.; Calpas, B.; Kadastik, M.; Murumaa, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Peltola, T.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Locci, E.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Zghiche, A.; Abdulsalam, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Chapon, E.; Charlot, C.; Davignon, O.; Dobrzynski, L.; Granier de Cassagnac, R.; Jo, M.; Lisniak, S.; Miné, P.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sirois, Y.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Agram, J.-L.; Andrea, J.; Aubin, A.; Bloch, D.; Brom, J.-M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Goetzmann, C.; Le Bihan, A.-C.; Merlin, J. A.; Skovpen, K.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Bouvier, E.; Carrillo Montoya, C. A.; Chierici, R.; Contardo, D.; Courbon, B.; Depasse, P.; El Mamouni, H.; Fan, J.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Lagarde, F.; Laktineh, I. B.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Popov, A.; Ruiz Alvarez, J. D.; Sabes, D.; Sordini, V.; Vander Donckt, M.; Verdier, P.; Viret, S.; Toriashvili, T.; Tsamalaidze, Z.; Autermann, C.; Beranek, S.; Feld, L.; Heister, A.; Kiesel, M. K.; Klein, K.; Lipinski, M.; Ostapchuk, A.; Preuten, M.; Raupach, F.; Schael, S.; Schomakers, C.; Schulte, J. F.; Schulz, J.; Verlage, T.; Weber, H.; Zhukov, V.; Ata, M.; Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Endres, M.; Erdmann, M.; Erdweg, S.; Esch, T.; Fischer, R.; Güth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Knutzen, S.; Merschmeyer, M.; Meyer, A.; Millet, P.; Mukherjee, S.; Olschewski, M.; Padeken, K.; Papacz, P.; Pook, T.; Radziej, M.; Reithler, H.; Rieger, M.; Scheuch, F.; Sonnenschein, L.; Teyssier, D.; Thüer, S.; Cherepanov, V.; Erdogan, Y.; Flügge, G.; Geenen, H.; Geisler, M.; Hoehle, F.; Kargoll, B.; Kress, T.; Künsken, A.; Lingemann, J.; Nehrkorn, A.; Nowack, A.; Nugent, I. M.; Pistone, C.; Pooth, O.; Stahl, A.; Aldaya Martin, M.; Asin, I.; Beernaert, K.; Behnke, O.; Behrens, U.; Borras, K.; Campbell, A.; Connor, P.; Contreras-Campana, C.; Costanza, F.; Diez Pardos, C.; Dolinska, G.; Dooling, S.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Gallo, E.; Garay Garcia, J.; Geiser, A.; Gizhko, A.; Grados Luyando, J. M.; Gunnellini, P.; Harb, A.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Karacheban, O.; Kasemann, M.; Kieseler, J.; Kleinwort, C.; Korol, I.; Lange, W.; Lelek, A.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Mankel, R.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Ntomari, E.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Roland, B.; Sahin, M. Ö.; Saxena, P.; Schoerner-Sadenius, T.; Seitz, C.; Spannagel, S.; Stefaniuk, N.; Trippkewitz, K. D.; Van Onsem, G. P.; Walsh, R.; Wissing, C.; Blobel, V.; Centis Vignali, M.; Draeger, A. R.; Dreyer, T.; Erfle, J.; Garutti, E.; Goebel, K.; Gonzalez, D.; Görner, M.; Haller, J.; Hoffmann, M.; Höing, R. S.; Junkes, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Lapsien, T.; Lenz, T.; Marchesini, I.; Marconi, D.; Meyer, M.; Niedziela, M.; Nowatschin, D.; Ott, J.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Pietsch, N.; Poehlsen, J.; Sander, C.; Scharf, C.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Schumann, S.; Schwandt, J.; Stadie, H.; Steinbrück, G.; Stober, F. M.; Tholen, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Vormwald, B.; Barth, C.; Baus, C.; Berger, J.; Böser, C.; Butz, E.; Chwalek, T.; Colombo, F.; De Boer, W.; Descroix, A.; Dierlamm, A.; Fink, S.; Frensch, F.; Friese, R.; Giffels, M.; Gilbert, A.; Haitz, D.; Hartmann, F.; Heindl, S. M.; Husemann, U.; Katkov, I.; Kornmayer, A.; Lobelle Pardo, P.; Maier, B.; Mildner, H.; Mozer, M. U.; Müller, T.; Müller, Th.; Plagge, M.; Quast, G.; Rabbertz, K.; Röcker, S.; Roscher, F.; Schröder, M.; Sieber, G.; Simonis, H. 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V.; Baskakov, A.; Belyaev, A.; Boos, E.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Korotkikh, V.; Lokhtin, I.; Miagkov, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.; Vardanyan, I.; Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.; Adzic, P.; Cirkovic, P.; Devetak, D.; Milosevic, J.; Rekovic, V.; Alcaraz Maestre, J.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Escalante Del Valle, A.; Fernandez Bedoya, C.; Fernández Ramos, J. P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro De Martino, E.; Pérez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.; de Trocóniz, J. 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W.; Hanson, G.; Heilman, J.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Malberti, M.; Olmedo Negrete, M.; Paneva, M. I.; Shrinivas, A.; Wei, H.; Wimpenny, S.; Yates, B. R.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Derdzinski, M.; Gerosa, R.; Holzner, A.; Kelley, R.; Klein, D.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Vartak, A.; Wasserbaech, S.; Welke, C.; Wood, J.; Würthwein, F.; Yagil, A.; Zevi Della Porta, G.; Bradmiller-Feld, J.; Campagnari, C.; Dishaw, A.; Dutta, V.; Flowers, K.; Franco Sevilla, M.; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Gran, J.; Incandela, J.; Mccoll, N.; Mullin, S. D.; Richman, J.; Stuart, D.; Suarez, I.; West, C.; Yoo, J.; Anderson, D.; Apresyan, A.; Bendavid, J.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Mott, A.; Newman, H. B.; Pena, C.; Spiropulu, M.; Vlimant, J. R.; Xie, S.; Zhu, R. Y.; Andrews, M. B.; Azzolini, V.; Calamba, A.; Carlson, B.; Ferguson, T.; Paulini, M.; Russ, J.; Sun, M.; Vogel, H.; Vorobiev, I.; Cumalat, J. P.; Ford, W. T.; Jensen, F.; Johnson, A.; Krohn, M.; Mulholland, T.; Stenson, K.; Wagner, S. R.; Alexander, J.; Chatterjee, A.; Chaves, J.; Chu, J.; Dittmer, S.; Eggert, N.; Mirman, N.; Nicolas Kaufman, G.; Patterson, J. R.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Sun, W.; Tan, S. M.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Wittich, P.; Abdullin, S.; Albrow, M.; Apollinari, G.; Banerjee, S.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Cremonesi, M.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Hare, D.; Harris, R. M.; Hasegawa, S.; Hirschauer, J.; Hu, Z.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Lammel, S.; Lewis, J.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; Lopes De Sá, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Pedro, K.; Prokofyev, O.; Rakness, G.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Stoynev, S.; Strobbe, N.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Wang, M.; Weber, H. A.; Whitbeck, A.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Brinkerhoff, A.; Carnes, A.; Carver, M.; Curry, D.; Das, S.; Field, R. D.; Furic, I. K.; Konigsberg, J.; Korytov, A.; Kotov, K.; Ma, P.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Rank, D.; Rossin, R.; Shchutska, L.; Sperka, D.; Terentyev, N.; Thomas, L.; Wang, J.; Wang, S.; Yelton, J.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.; Ackert, A.; Adams, J. R.; Adams, T.; Askew, A.; Bein, S.; Bochenek, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Khatiwada, A.; Prosper, H.; Santra, A.; Weinberg, M.; Baarmand, M. M.; Bhopatkar, V.; Colafranceschi, S.; Hohlmann, M.; Kalakhety, H.; Noonan, D.; Roy, T.; Yumiceva, F.; Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Kurt, P.; O'Brien, C.; Sandoval Gonzalez, I. D.; Turner, P.; Varelas, N.; Wu, Z.; Zakaria, M.; Zhang, J.; Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Snyder, C.; Tiras, E.; Wetzel, J.; Yi, K.; Anderson, I.; Blumenfeld, B.; Cocoros, A.; Eminizer, N.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Osherson, M.; Roskes, J.; Sarica, U.; Swartz, M.; Xiao, M.; Xin, Y.; You, C.; Baringer, P.; Bean, A.; Bruner, C.; Castle, J.; Kenny, R. P., III; Kropivnitskaya, A.; Majumder, D.; Malek, M.; Mcbrayer, W.; Murray, M.; Sanders, S.; Stringer, R.; Wang, Q.; Ivanov, A.; Kaadze, K.; Khalil, S.; Makouski, M.; Maravin, Y.; Mohammadi, A.; Saini, L. K.; Skhirtladze, N.; Toda, S.; Lange, D.; Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Ferraioli, C.; Gomez, J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Kunkle, J.; Lu, Y.; Mignerey, A. C.; Shin, Y. H.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.; Apyan, A.; Barbieri, R.; Baty, A.; Bi, R.; Bierwagen, K.; Brandt, S.; Busza, W.; Cali, I. A.; Demiragli, Z.; Di Matteo, L.; Gomez Ceballos, G.; Goncharov, M.; Gulhan, D.; Hsu, D.; Iiyama, Y.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Krajczar, K.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Marini, A. C.; Mcginn, C.; Mironov, C.; Narayanan, S.; Niu, X.; Paus, C.; Roland, C.; Roland, G.; Salfeld-Nebgen, J.; Stephans, G. S. F.; Sumorok, K.; Tatar, K.; Varma, M.; Velicanu, D.; Veverka, J.; Wang, J.; Wang, T. W.; Wyslouch, B.; Yang, M.; Zhukova, V.; Benvenuti, A. C.; Dahmes, B.; Evans, A.; Finkel, A.; Gude, A.; Hansen, P.; Kalafut, S.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bartek, R.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Knowlton, D.; Kravchenko, I.; Meier, F.; Monroy, J.; Ratnikov, F.; Siado, J. E.; Snow, G. R.; Stieger, B.; Alyari, M.; Dolen, J.; George, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Kaisen, J.; Kharchilava, A.; Kumar, A.; Parker, A.; Rappoccio, S.; Roozbahani, B.; Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Teixeira De Lima, R.; Trocino, D.; Wang, R.-J.; Wood, D.; Zhang, J.; Bhattacharya, S.; Hahn, K. A.; Kubik, A.; Low, J. F.; Mucia, N.; Odell, N.; Pollack, B.; Schmitt, M. H.; Sung, K.; Trovato, M.; Velasco, M.; Dev, N.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Planer, M.; Reinsvold, A.; Ruchti, R.; Rupprecht, N.; Smith, G.; Taroni, S.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.; Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hart, A.; Hill, C.; Hughes, R.; Ji, W.; Liu, B.; Luo, W.; Puigh, D.; Rodenburg, M.; Winer, B. L.; Wulsin, H. W.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Palmer, C.; Piroué, P.; Stickland, D.; Tully, C.; Zuranski, A.; Malik, S.; Barker, A.; Barnes, V. E.; Benedetti, D.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, A. W.; Jung, K.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shi, X.; Sun, J.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Chen, Z.; Ecklund, K. M.; Geurts, F. J. M.; Guilbaud, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Rorie, J.; Tu, Z.; Zabel, J.; Betchart, B.; Bodek, A.; de Barbaro, P.; Demina, R.; Duh, Y. t.; Eshaq, Y.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Han, J.; Hindrichs, O.; Khukhunaishvili, A.; Lo, K. H.; Tan, P.; Verzetti, M.; Chou, J. P.; Contreras-Campana, E.; Gershtein, Y.; Gómez Espinosa, T. A.; Halkiadakis, E.; Heindl, M.; Hidas, D.; Hughes, E.; Kaplan, S.; Kunnawalkam Elayavalli, R.; Kyriacou, S.; Lath, A.; Nash, K.; Saka, H.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Foerster, M.; Heideman, J.; Riley, G.; Rose, K.; Spanier, S.; Thapa, K.; Bouhali, O.; Castaneda Hernandez, A.; Celik, A.; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Gilmore, J.; Huang, T.; Kamon, T.; Krutelyov, V.; Mueller, R.; Osipenkov, I.; Pakhotin, Y.; Patel, R.; Perloff, A.; Perniè, L.; Rathjens, D.; Rose, A.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Undleeb, S.; Volobouev, I.; Wang, Z.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Ni, H.; Sheldon, P.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Barria, P.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Neu, C.; Sinthuprasith, T.; Sun, X.; Wang, Y.; Wolfe, E.; Xia, F.; Clarke, C.; Harr, R.; Karchin, P. E.; Kottachchi Kankanamge Don, C.; Lamichhane, P.; Sturdy, J.; Belknap, D. A.; Carlsmith, D.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ruggles, T.; Sarangi, T.; Savin, A.; Sharma, A.; Smith, N.; Smith, W. H.; Taylor, D.; Verwilligen, P.; Woods, N.; CMS Collaboration

2017-05-01

Measurements of strange hadron (KS0, Λ + Λ ‾, and Ξ- +Ξ‾+) transverse momentum spectra in pp, pPb, and PbPb collisions are presented over a wide range of rapidity and event charged-particle multiplicity. The data were collected with the CMS detector at the CERN LHC in pp collisions at √{ s} = 7TeV, pPb collisions at √{sNN} = 5.02TeV, and PbPb collisions at √{sNN} = 2.76TeV. The average transverse kinetic energy is found to increase with multiplicity, at a faster rate for heavier strange particle species in all systems. At similar multiplicities, the difference in average transverse kinetic energy between different particle species is observed to be larger for pp and pPb events than for PbPb events. In pPb collisions, the average transverse kinetic energy is found to be slightly larger in the Pb-going direction than in the p-going direction for events with large multiplicity. The spectra are compared to models motivated by hydrodynamics.

Nonequilibrium transition and pattern formation in a linear reaction-diffusion system with self-regulated kinetics

NASA Astrophysics Data System (ADS)

Paul, Shibashis; Ghosh, Shyamolina; Ray, Deb Shankar

2018-02-01

We consider a reaction-diffusion system with linear, stochastic activator-inhibitor kinetics where the time evolution of concentration of a species at any spatial location depends on the relative average concentration of its neighbors. This self-regulating nature of kinetics brings in spatial correlation between the activator and the inhibitor. An interplay of this correlation in kinetics and disparity of diffusivities of the two species leads to symmetry breaking non-equilibrium transition resulting in stationary pattern formation. The role of initial noise strength and the linear reaction terms has been analyzed for pattern selection.

Enthalpy Distributions of Arc Jet Flow Based on Measured Laser Induced Fluorescence, Heat Flux and Stagnation Pressure Distributions

NASA Technical Reports Server (NTRS)

Suess, Leonard E.; Milhoan, James D.; Oelke, Lance; Godfrey, Dennis; Larin, Maksim Y.; Scott, Carl D.; Grinstead, Jay H.; DelPapa, Steven

2011-01-01

The centerline total enthalpy of arc jet flow is determined using laser induced fluorescence of oxygen and nitrogen atoms. Each component of the energy, kinetic, thermal, and chemical can be determined from LIF measurements. Additionally, enthalpy distributions are inferred from heat flux and pressure probe distribution measurements using an engineering formula. Average enthalpies are determined by integration over the radius of the jet flow, assuming constant mass flux and a mass flux distribution estimated from computational fluid dynamics calculations at similar arc jet conditions. The trends show favorable agreement, but there is an uncertainty that relates to the multiple individual measurements and assumptions inherent in LIF measurements.

Ionization of biomolecular targets by ion impact: input data for radiobiological applications

NASA Astrophysics Data System (ADS)

de Vera, Pablo; Abril, Isabel; Garcia-Molina, Rafael; Solov'yov, Andrey V.

2013-06-01

In this work we review and further develop a semiempirical model recently proposed for the ion impact ionization of complex biological media. The model is based on the dielectric formalism, and makes use of a semiempirical parametrization of the optical energy-loss function of bioorganic compounds, allowing the calculation of single and total ionization cross sections and related quantities for condensed biological targets, such as liquid water, DNA and its components, proteins, lipids, carbohydrates or cell constituents. The model shows a very good agreement with experimental data for water, adenine and uracil, and allows the comparison of the ionization efficiency of different biological targets, and also the average kinetic energy of the ejected secondary electrons.

Kinetics of removal of intravenous testosterone pulses in normal men.

PubMed

Veldhuis, Johannes D; Keenan, Daniel M; Liu, Peter Y; Takahashi, Paul Y

2010-04-01

Testosterone is secreted into the bloodstream episodically, putatively distributing into total, bioavailable (bio) nonsex hormone-binding globulin (nonSHBG-bound), and free testosterone moieties. The kinetics of total, bio, and free testosterone pulses are unknown. Design Adrenal and gonadal steroidogenesis was blocked pharmacologically, glucocorticoid was replaced, and testosterone was infused in pulses in four distinct doses in 14 healthy men under two different paradigms (a total of 220 testosterone pulses). Testosterone kinetics were assessed by deconvolution analysis of total, free, bioavailable, SHBG-bound, and albumin-bound testosterone concentration-time profiles. Independently of testosterone dose or paradigm, rapid-phase half-lives (min) of total, free, bioavailable, SHBG-bound, and albumin-bound testosterone were comparable at 1.4+/-0.22 min (grand mean+/-S.E.M. of geometric means). Slow-phase testosterone half-lives were highest for SHBG-bound testosterone (32 min) and total testosterone (27 min) with the former exceeding that of free testosterone (18 min), bioavailable testosterone (14 min), and albumin-bound testosterone (18 min; P<0.001). Collective outcomes indicate that i) the rapid phase of testosterone disappearance from point sampling in the circulation is not explained by testosterone dose; ii) SHBG-bound testosterone and total testosterone kinetics are prolonged; and iii) the half-lives of bioavailable, albumin-bound, and free testosterone are short. A frequent-sampling strategy comprising an experimental hormone clamp, estimation of hormone concentrations as bound and free moieties, mimicry of physiological pulses, and deconvolution analysis may have utility in estimating the in vivo kinetics of other hormones, substrates, and metabolites.

Effective homogeneity of the exchange-correlation and non-interacting kinetic energy functionals under density scaling.

PubMed

Borgoo, Alex; Teale, Andrew M; Tozer, David J

2012-01-21

Correlated electron densities, experimental ionisation potentials, and experimental electron affinities are used to investigate the homogeneity of the exchange-correlation and non-interacting kinetic energy functionals of Kohn-Sham density functional theory under density scaling. Results are presented for atoms and small molecules, paying attention to the influence of the integer discontinuity and the choice of the electron affinity. For the exchange-correlation functional, effective homogeneities are highly system-dependent on either side of the integer discontinuity. By contrast, the average homogeneity-associated with the potential that averages over the discontinuity-is generally close to 4/3 when the discontinuity is computed using positive affinities for systems that do bind an excess electron and negative affinities for those that do not. The proximity to 4/3 becomes increasingly pronounced with increasing atomic number. Evaluating the discontinuity using a zero affinity in systems that do not bind an excess electron instead leads to effective homogeneities on the electron abundant side that are close to 4/3. For the non-interacting kinetic energy functional, the effective homogeneities are less system-dependent and the effect of the integer discontinuity is less pronounced. Average values are uniformly below 5/3. The study provides information that may aid the development of improved exchange-correlation and non-interacting kinetic energy functionals. © 2012 American Institute of Physics

Accounting for disagreements on average cone loss rates in retinitis pigmentosa with a new kinetic model: Its relevance for clinical trials.

PubMed

Baumgartner, W A; Baumgartner, A M

2016-04-01

Since 1985, at least nine studies of the average rate of cone loss in retinitis pigmentosa (RP) populations have yielded conflicting average rate constant values (-k), differing by 90-160%. This is surprising, since, except for the first two investigations, the Harvard or Johns Hopkins' protocols used in these studies were identical with respect to: use of the same exponential decline model, calculation of average -k from individual patient k values, monitoring patients over similarly large time frames, and excluding data exhibiting floor and ceiling effects. A detailed analysis of Harvard's and Hopkins' protocols and data revealed two subtle differences: (i) Hopkins' use of half-life t0.5 (or t(1/e)) for expressing patient cone-loss rates rather than k as used by Harvard; (ii) Harvard obtaining substantially more +k from improving fields due to dormant-cone recovery effects and "small -k" values than Hopkins' ("small -k" is defined as less than -0.040 year(-1)), e.g., 16% +k, 31% small -k, vs. Hopkins' 3% and 6% respectively. Since t0.5=0.693/k, it follows that when k=0, or is very small, t0.5 (or t(1/e)) is respectively infinity or a very large number. This unfortunate mathematical property (which also prevents t0.5 (t(1/e)) histogram construction corresponding to -k to +k) caused Hopkins' to delete all "small -k" and all +k due to "strong leverage". Naturally this contributed to Hopkins' larger average -k. Difference (ii) led us to re-evaluate the Harvard/Hopkins' exponential unchanging -k model. In its place we propose a model of increasing biochemical stresses from dying rods on cones during RP progression: increasing oxidative stresses and trophic factor deficiencies (e.g., RdCVF), and RPE malfunction. Our kinetic analysis showed rod loss to follow exponential kinetics with unchanging -k due to constant genetic stresses, thereby providing a theoretical basis for Clarke et al.'s empirical observation of such kinetics with eleven animal models of RP. In contrast to this, we show that cone loss occurs in patients with increasing -k values during RP progression. And as the Hopkins' protocol selects more advanced RP cases than Harvard's to assure avoidance of ceiling effects (Harvard does this by kinetic monitoring), we show increasing -k kinetics to be the reason Harvard obtains more +k and small -k values. Thus the combined effects of (i) and (ii) produce Harvard's smaller average -k value. The relevance of the increasing biochemical stress model for optimizing clinical trials is discussed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Bile salt kinetics in cystic fibrosis: influence of pancreatic enzyme replacement

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

Watkins, J.B.; Tercyak, A.M.; Szczepanik, P.

1977-01-01

Bile acid kinetics was investigated by stable isotope dilution technique in 6 children (ages 3/sup 1///sub 2/ months to 4/sup 1///sub 2/ years) with previously untreated cystic fibrosis. All of the patients had clinical and laboratory evidence of malabsorption, normal intestinal mucosal function, as judged by glucose absorption, intestinal histology, disaccharidase levels, and normally functioning gallbladders. The children were maintained on a constant diet throughout the study period; fat intake averaged 4.2 g per kg per day. Before administration of pancreatic enzyme replacement, fat excretion equalled 50 +- 4% (mean +- SE) of intake and was reduced to 20 +-more » 1.0% of intake after therapy. Total bile acid pool size nearly doubled during enzyme replacement from 379 +- 32 ..mu..moles per kg to 620 +- 36 ..mu..moles per kg with secondary bile acids comprising 57% of the total pool before therapy and 40% after therapy. The data indicate that both primary and secondary bile acids are conserved within the enterohepatic circulation during enzyme therapy, and that the mechanism for the regulation of hepatic bile acid synthesis is intact in cystic fibrosis. However, the demonstration that large amounts of bile acid continue to be excreted during therapy suggests that interruption of the enterohepatic circulation continues and that deficiencies of the intraluminal phase may persist during enzyme therapy in this disease.« less

Waste tyre pyrolysis: modelling of a moving bed reactor.

PubMed

Aylón, E; Fernández-Colino, A; Murillo, R; Grasa, G; Navarro, M V; García, T; Mastral, A M

2010-12-01

This paper describes the development of a new model for waste tyre pyrolysis in a moving bed reactor. This model comprises three different sub-models: a kinetic sub-model that predicts solid conversion in terms of reaction time and temperature, a heat transfer sub-model that calculates the temperature profile inside the particle and the energy flux from the surroundings to the tyre particles and, finally, a hydrodynamic model that predicts the solid flow pattern inside the reactor. These three sub-models have been integrated in order to develop a comprehensive reactor model. Experimental results were obtained in a continuous moving bed reactor and used to validate model predictions, with good approximation achieved between the experimental and simulated results. In addition, a parametric study of the model was carried out, which showed that tyre particle heating is clearly faster than average particle residence time inside the reactor. Therefore, this fast particle heating together with fast reaction kinetics enables total solid conversion to be achieved in this system in accordance with the predictive model. Copyright © 2010 Elsevier Ltd. All rights reserved.

Variability estimation of urban wastewater biodegradable fractions by respirometry.

PubMed

Lagarde, Fabienne; Tusseau-Vuillemin, Marie-Hélène; Lessard, Paul; Héduit, Alain; Dutrop, François; Mouchel, Jean-Marie

2005-11-01

This paper presents a methodology for assessing the variability of biodegradable chemical oxygen demand (COD) fractions in urban wastewaters. Thirteen raw wastewater samples from combined and separate sewers feeding the same plant were characterised, and two optimisation procedures were applied in order to evaluate the variability in biodegradable fractions and related kinetic parameters. Through an overall optimisation on all the samples, a unique kinetic parameter set was obtained with a three-substrate model including an adsorption stage. This method required powerful numerical treatment, but improved the identifiability problem compared to the usual sample-to-sample optimisation. The results showed that the fractionation of samples collected in the combined sewer was much more variable (standard deviation of 70% of the mean values) than the fractionation of the separate sewer samples, and the slowly biodegradable COD fraction was the most significant fraction (45% of the total COD on average). Because these samples were collected under various rain conditions, the standard deviations obtained here on the combined sewer biodegradable fractions could be used as a first estimation of the variability of this type of sewer system.

Short-Term Heparin Kinetics during Catheter Ablation of Atrial Fibrillation.

PubMed

Gabus, Vincent; Rollin, Anne; Maury, Philippe; Forclaz, Andrei; Pascale, Patrizio; Dhutia, Harshil; Bisch, Laurence; Pruvot, Etienne

2015-10-01

Percutaneous catheter ablation of atrial fibrillation (CA-AF) is a treatment option for symptomatic drug-refractory atrial fibrillation (AF). CA-AF carries a risk for thromboembolic complications that has been minimized by the use of intraprocedural intravenous unfractionated heparin (UFH). The optimal administration of UFH as well as its kinetics are not well established and need to be precisely determined. A total 102 of consecutive patients suffering from symptomatic drug-refractory AF underwent CA-AF. The mean age was 61 ± 10 years old. After transseptal puncture of the fossa ovalis, weight-adjusted UFH bolus (100 U/kg) was infused. A significant increase in activated clotting time (ACT) was observed from an average value of 100 ± 27 seconds at baseline, to 355 ± 94 seconds at 10 min (T10), to 375 ± 90 seconds at 20 min (T20). Twenty-four patients failed to reach the targeted ACT value of ≥300 seconds at T10 and more than half of these remained with subtherapeutic ACT values at T20. This subset of patients showed similar clinical characteristics and amount of UFH but were more frequently prescribed preprocedural vitamin K1 than the rest of the study population. In a typical intervention setting, UFH displays unexpected slow anticoagulation kinetics in a significant proportion of procedures up to 20 minutes after infusion. These findings support the infusion of UFH before transseptal puncture or any left-sided catheterization with early ACT measurements to identify patients with delayed kinetics. They are in line with recent guidelines to perform CA-AF under therapeutic anticoagulation. © 2015 Wiley Periodicals, Inc.

Chemical Kinetics at the Single-Molecule Level

ERIC Educational Resources Information Center

Levitus, Marcia

2011-01-01

For over a century, chemists have investigated the rates of chemical reactions using experimental conditions involving huge numbers of molecules. As a consequence, the description of the kinetics of the reaction in terms of average values was good enough for all practical purposes. From the pedagogical point of view, such a description misses the…

Measuring kinetic energy changes in the mesoscale with low acquisition rates

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

Roldán, É.; GISC–Grupo Interdisciplinar de Sistemas Complejos, Madrid; Martínez, I. A.

2014-06-09

We report on the measurement of the average kinetic energy changes in isothermal and non-isothermal quasistatic processes in the mesoscale, realized with a Brownian particle trapped with optical tweezers. Our estimation of the kinetic energy change allows to access to the full energetic description of the Brownian particle. Kinetic energy estimates are obtained from measurements of the mean square velocity of the trapped bead sampled at frequencies several orders of magnitude smaller than the momentum relaxation frequency. The velocity is tuned applying a noisy electric field that modulates the amplitude of the fluctuations of the position and velocity of themore » Brownian particle, whose motion is equivalent to that of a particle in a higher temperature reservoir. Additionally, we show that the dependence of the variance of the time-averaged velocity on the sampling frequency can be used to quantify properties of the electrophoretic mobility of a charged colloid. Our method could be applied to detect temperature gradients in inhomogeneous media and to characterize the complete thermodynamics of biological motors and of artificial micro and nanoscopic heat engines.« less

VO2 kinetics in supra-anaerobic threshold constant tests allow the visualization and quantification of the O2 saving after cytochrome c oxidase inhibition by aerobic training or nitrate administration.

PubMed

Maione, D; Cicero, A Fg; Bacchelli, S; Cosentino, E; Degli Esposti, D; Senaldi, R; Strocchi, E; D'Addato, S; Borghi, C

2013-01-01

We tested whether the known cytochrome c oxidase (COX) inhibition by nitric oxide (NO) could be quantified by VO(2) kinetics during constant load supra-Anaerobic Threshold (AT) exercises in healthy trained or untrained subjects following aerobic training or nitrate administration. In cycle ergometer constant load exercises supra-AT, identified in previous incremental tests, VO(2) kinetics describe a double exponential curve, one rapid and one appreciably slower, allowing the area between them to be calculate in O(2) l. After training, with increased NO availability, this area decreases in inverse ratio to treatment efficacy. In fact, in 11 healthy subjects after aerobic training for 6-7 weeks, area was decreased on average by 51 %. In 11 untrained subjects, following the assumption of an NO donor, 20 mg isosorbide 5 mononitrate, area was decreased on average by 53 %. In conclusion, supra-AT VO(2) kinetics in constant load exercises permit the quantification of the inhibitory effect NO-dependent on COX after either physical training or nitrate assumption.

Sequential anaerobic/aerobic digestion of waste activated sludge: analysis of the process performance and kinetic study.

PubMed

Tomei, M Concetta; Rita, Sara; Mininni, Giuseppe

2011-12-15

Sequential anaerobic-aerobic digestion was applied to waste activated sludge (WAS) of a full scale wastewater treatment plant. The study was performed with the objective of testing the sequential digestion process on WAS, which is characterized by worse digestibility in comparison with the mixed sludge. Process performance was evaluated in terms of biogas production, volatile solids (VS) and COD reduction, and patterns of biopolymers (proteins and polysaccharides) in the subsequent digestion stages. VS removal efficiency of 40%, in the anaerobic phase, and an additional removal of 26%, in the aerobic one, were observed. For total COD removal efficiencies of 35% and 25% for anaerobic and aerobic stage respectively, were obtained. Kinetics of VS degradation process was analyzed by assuming a first order equation with respect to VS concentration. Evaluated kinetic parameters were 0.44 ± 0.20 d(-1) and 0.25 ± 0.15 d(-1) for the anaerobic stage and aerobic stage, respectively. With regard to biopolymers, in the anaerobic phase the content of proteins and polysaccharides increased to 50% and 69%, respectively, whereas in the subsequent aerobic phase, a decrease of 71% for proteins and 67% for polysaccharides was observed. The average specific biogas production 0.74 m(3)/(kg VS destroyed), was in the range of values reported in the specialized literature for conventional anaerobic mesophilic WAS digestion. Copyright © 2011 Elsevier B.V. All rights reserved.

Jet Aeroacoustics: Noise Generation Mechanism and Prediction

NASA Technical Reports Server (NTRS)

Tam, Christopher

1998-01-01

This report covers the third year research effort of the project. The research work focussed on the fine scale mixing noise of both subsonic and supersonic jets and the effects of nozzle geometry and tabs on subsonic jet noise. In publication 1, a new semi-empirical theory of jet mixing noise from fine scale turbulence is developed. By an analogy to gas kinetic theory, it is shown that the source of noise is related to the time fluctuations of the turbulence kinetic theory. On starting with the Reynolds Averaged Navier-Stokes equations, a formula for the radiated noise is derived. An empirical model of the space-time correlation function of the turbulence kinetic energy is adopted. The form of the model is in good agreement with the space-time two-point velocity correlation function measured by Davies and coworkers. The parameters of the correlation are related to the parameters of the k-epsilon turbulence model. Thus the theory is self-contained. Extensive comparisons between the computed noise spectrum of the theory and experimental measured have been carried out. The parameters include jet Mach number from 0.3 to 2.0 and temperature ratio from 1.0 to 4.8. Excellent agreements are found in the spectrum shape, noise intensity and directivity. It is envisaged that the theory would supercede all semi-empirical and totally empirical jet noise prediction methods in current use.

Assessment of MRI Contrast Agent Kinetics via Retro-Orbital Injection in Mice: Comparison with Tail Vein Injection.

PubMed

Wang, Fang; Nojima, Masanori; Inoue, Yusuke; Ohtomo, Kuni; Kiryu, Shigeru

2015-01-01

It is not known whether administration of contrast agent via retro-orbital injection or the tail vein route affects the efficiency of dynamic contrast-enhanced magnetic resonance imaging (MRI). Therefore, we compared the effects of retro-orbital and tail vein injection on the kinetics of the contrast agent used for MRI in mice. The same group of nine healthy female mice received contrast agent via either route. An extracellular contrast agent was infused via the tail vein and retro-orbital vein, in random order. Dynamic contrast-enhanced MRI was performed before and after administering the contrast agent. The contrast effects in the liver, kidney, lung, and myocardium were assessed. The average total times of venous puncture and mounting of the injection system were about 10 and 4 min for the tail vein and retro-orbital route, respectively. For all organs assessed, the maximum contrast ratio occurred 30 s after administration and the time course of the contrast ratio was similar with either routes. For each organ, the contrast ratios correlated strongly; the contrast ratios were similar. The retro-orbital and tail vein routes afforded similar results in terms of the kinetics of the contrast agent. The retro-orbital route can be used as a simple efficient alternative to tail vein injection for dynamic contrast-enhanced MRI of mice.

Kinetic activity, membrane mitochondrial potential, lipid peroxidation, intracellular pH and calcium of frozen/thawed bovine spermatozoa treated with metabolic enhancers.

PubMed

Boni, R; Gallo, A; Cecchini, S

2017-01-01

Owing to the progressive decline of sperm motility during storage there is a need to find substances capable of enhancing sperm energy metabolism and motility and/or preserving it from oxidative damage. The aim of this study was to evaluate in frozen/thawed bovine spermatozoa the effect of several compounds, such as myo-inositol, pentoxifylline, penicillamine + hypotaurine + epinephrine mixture (PHE), caffeine and coenzyme Q10+ zinc + d-aspartate mixture (CZA), on either kinetic or metabolic parameters. Sperm kinetics was evaluated by Sperm Class Analyser whereas specific fluorochromes were used to evaluated mitochondrial membrane potential (MMP), intracellular pH, intracellular calcium concentration and lipid peroxidation. Lipid peroxidation was also evaluated by TBARS analysis. Treatments significantly affected total and progressive motility with different dynamics in relation to the incubation time. After the first hour of incubation, CZA treatment produced the best performance in total and progressive sperm motility as well as in curvilinear velocity, average path velocity and amplitude of head displacement, whereas pentoxifylline stimulated the highest straight-line velocity. MMP showed higher values (p < 0.01) after treatment with pentoxifylline and PHE. Intracytoplasmic calcium concentration and lipid peroxidation were significantly (p < 0.05) affected by the incubation time rather than the treatments. Intracellular pH varied significantly (p < 0.01) in relation to either the incubation time or treatments. In particular, it showed a progressive increase throughout incubation with values in control group significantly higher than in myo-inositol, PHE, caffeine, pentoxifylline and CZA groups (7.37 ± 0.03 vs. 7.29 ± 0.03, 7.28 ± 0.03, 7.26 ± 0.03, 7.22 ± 0.03 and 7.00 ± 0.03, respectively; p < 0.01).; however, among treatments, CZA displayed the lowest values. Significant correlations were found between sperm kinetic and metabolic parameters. These findings provide new comparative information on the effects of putative metabolic enhancers on kinetics and metabolic activities of bovine spermatozoa. In this study, a rapid methodological approach for evaluating sperm quality is proposed. © 2016 American Society of Andrology and European Academy of Andrology.

Joint kinetic determinants of starting block performance in athletic sprinting.

PubMed

Brazil, Adam; Exell, Timothy; Wilson, Cassie; Willwacher, Steffen; Bezodis, Ian N; Irwin, Gareth

2018-07-01

The aim of this study was to explore the relationships between lower limb joint kinetics, external force production and starting block performance (normalised average horizontal power, NAHP). Seventeen male sprinters (100 m PB, 10.67 ± 0.32 s) performed maximal block starts from instrumented starting blocks (1000 Hz) whilst 3D kinematics (250 Hz) were also recorded during the block phase. Ankle, knee and hip resultant joint moment and power were calculated at the rear and front leg using inverse dynamics. Average horizontal force applied to the front (r = 0.46) and rear (r = 0.44) block explained 86% of the variance in NAHP. At the joint level, many "very likely" to "almost certain" relationships (r = 0.57 to 0.83) were found between joint kinetic data and the magnitude of horizontal force applied to each block although stepwise multiple regression revealed that 55% of the variance in NAHP was accounted for by rear ankle moment, front hip moment and front knee power. The current study provides novel insight into starting block performance and the relationships between lower limb joint kinetic and external kinetic data that can help inform physical and technical training practices for this skill.

A subsynoptic-scale kinetic energy study of the Red River Valley tornado outbreak (AVE-SESAME 1)

NASA Technical Reports Server (NTRS)

Jedlovec, G. J.; Fuelberg, H. E.

1981-01-01

The subsynoptis-scale kinetic energy balance during the Red River Valley tornado outbreak is presented in order to diagnose storm environment interactions. Area-time averaged energetics indicate that horizontal flux convergence provides the major energy source to the region, while cross contour flow provides the greatest sink. Maximum energy variability is found in the upper levels in association with jet stream activity. Area averaged energetics at individual observation times show that the energy balance near times of maximum storm activity differs considerably from that of the remaining periods. The local kinetic energy balance over Oklahoma during the formation of a limited jet streak receives special attention. Cross contour production of energy is the dominant local source for jet development. Intense convection producing the Red River Valley tornadoes may have contributed to this local development by modifying the surrounding environment.

Yield degradation in inertial-confinement-fusion implosions due to shock-driven kinetic fuel-species stratification and viscous heating

DOE PAGES

Taitano, William T.; Simakov, Andrei N.; Chacon, Luis; ...

2018-04-09

Anomalous thermonuclear yield degradation (i.e., that not describable by single-fluid radiation hydrodynamics) in Inertial Confinement Fusion (ICF) implosions is ubiquitously observed in both Omega and National Ignition experiments. Multiple experimental and theoretical studies have been carried out to investigate the origin of such a degradation. Relative concentration changes of fuel-ion species, as well as kinetically enhanced viscous heating, have been among possible explanations proposed for certain classes of ICF experiments. In this study, we investigate the role of such kinetic plasma effects in detail. To this end, we use the iFP code to perform multi-species ion Vlasov-Fokker-Planck simulations of ICFmore » capsule implosions with the fuel comprising various hydrodynamically equivalent mixtures of deuterium (D) and helium-3 (3He), as in the original. We employ the same computational setup as in O. Larroche, which was the first to simulate the experiments kinetically. However, unlike the Larroche study, and in partial agreement with experimental data, we find a systematic yield degradation in multi-species simulations versus averaged-ion simulations when the D-fuel fraction is decreased. This yield degradation originates in the fuel-ion species stratification induced by plasma shocks, which imprints the imploding system and results in the relocation of the D ions from the core of the capsule to its periphery, thereby reducing the yield relative to a non-separable averaged-ion case. By comparing yields from the averaged-ion kinetic simulations and from the hydrodynamic scaling, we also observe yield variations associated with ion kinetic effects other than fuel-ion stratification, such as ion viscous heating, which is typically neglected in hydrodynamic implosions' simulations. Since our kinetic simulations are driven by hydrodynamic boundary conditions at the fuel-ablator interface, they cannot capture the effects of ion viscosity on the capsule compression, or effects associated with the interface, which are expected to be important. As a result, studies of such effects are left for future work.« less

Yield degradation in inertial-confinement-fusion implosions due to shock-driven kinetic fuel-species stratification and viscous heating

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

Taitano, William T.; Simakov, Andrei N.; Chacon, Luis

Anomalous thermonuclear yield degradation (i.e., that not describable by single-fluid radiation hydrodynamics) in Inertial Confinement Fusion (ICF) implosions is ubiquitously observed in both Omega and National Ignition experiments. Multiple experimental and theoretical studies have been carried out to investigate the origin of such a degradation. Relative concentration changes of fuel-ion species, as well as kinetically enhanced viscous heating, have been among possible explanations proposed for certain classes of ICF experiments. In this study, we investigate the role of such kinetic plasma effects in detail. To this end, we use the iFP code to perform multi-species ion Vlasov-Fokker-Planck simulations of ICFmore » capsule implosions with the fuel comprising various hydrodynamically equivalent mixtures of deuterium (D) and helium-3 (3He), as in the original. We employ the same computational setup as in O. Larroche, which was the first to simulate the experiments kinetically. However, unlike the Larroche study, and in partial agreement with experimental data, we find a systematic yield degradation in multi-species simulations versus averaged-ion simulations when the D-fuel fraction is decreased. This yield degradation originates in the fuel-ion species stratification induced by plasma shocks, which imprints the imploding system and results in the relocation of the D ions from the core of the capsule to its periphery, thereby reducing the yield relative to a non-separable averaged-ion case. By comparing yields from the averaged-ion kinetic simulations and from the hydrodynamic scaling, we also observe yield variations associated with ion kinetic effects other than fuel-ion stratification, such as ion viscous heating, which is typically neglected in hydrodynamic implosions' simulations. Since our kinetic simulations are driven by hydrodynamic boundary conditions at the fuel-ablator interface, they cannot capture the effects of ion viscosity on the capsule compression, or effects associated with the interface, which are expected to be important. As a result, studies of such effects are left for future work.« less

Yield degradation in inertial-confinement-fusion implosions due to shock-driven kinetic fuel-species stratification and viscous heating

NASA Astrophysics Data System (ADS)

Taitano, W. T.; Simakov, A. N.; Chacón, L.; Keenan, B.

2018-05-01

Anomalous thermonuclear yield degradation (i.e., that not describable by single-fluid radiation hydrodynamics) in Inertial Confinement Fusion (ICF) implosions is ubiquitously observed in both Omega and National Ignition experiments. Multiple experimental and theoretical studies have been carried out to investigate the origin of such a degradation. Relative concentration changes of fuel-ion species, as well as kinetically enhanced viscous heating, have been among possible explanations proposed for certain classes of ICF experiments. In this study, we investigate the role of such kinetic plasma effects in detail. To this end, we use the iFP code to perform multi-species ion Vlasov-Fokker-Planck simulations of ICF capsule implosions with the fuel comprising various hydrodynamically equivalent mixtures of deuterium (D) and helium-3 (3He), as in the original Rygg experiments [J. R. Rygg et al., Phys. Plasmas 13, 052702 (2006)]. We employ the same computational setup as in O. Larroche [Phys. Plasmas 19, 122706 (2012)], which was the first to simulate the experiments kinetically. However, unlike the Larroche study, and in partial agreement with experimental data, we find a systematic yield degradation in multi-species simulations versus averaged-ion simulations when the D-fuel fraction is decreased. This yield degradation originates in the fuel-ion species stratification induced by plasma shocks, which imprints the imploding system and results in the relocation of the D ions from the core of the capsule to its periphery, thereby reducing the yield relative to a non-separable averaged-ion case. By comparing yields from the averaged-ion kinetic simulations and from the hydrodynamic scaling, we also observe yield variations associated with ion kinetic effects other than fuel-ion stratification, such as ion viscous heating, which is typically neglected in hydrodynamic implosions' simulations. Since our kinetic simulations are driven by hydrodynamic boundary conditions at the fuel-ablator interface, they cannot capture the effects of ion viscosity on the capsule compression, or effects associated with the interface, which are expected to be important. Studies of such effects are left for future work.

Evaluations of Energy Spectra of Neutrons Emitted Promptly in Neutron-induced Fission of 235 U and 239 Pu

DOE PAGES

Neudecker, Denise; Talou, Patrick; Kawano, Toshihiko; ...

2018-02-01

The energy spectra of neutrons emitted promptly in the neutron-induced fission reactions of 235U and 239Pu were re-evaluated for ENDF/B-VIII.0. The evaluations presented here are based on a careful modeling of all relevant physics processes, an extensive analysis of experimental data and a detailed quantification of pertinent uncertainties. Energy spectra of neutrons emitted in up to fourth chance fission are considered and both compound and pre-equilibrium processes are included. Also, important nuclear model parameters, such as the average total kinetic energy of the fission fragments and the multiple chance fission probabilities, and their uncertainties are estimated based on experimental knowledge,more » model information and evaluated data. In addition to experimental information already available for ENDF/B-VII.1, these new evaluations make use of recently published experimental data either of high precision or spanning a broad incident energy range, information on legacy measurements explaining discrepancies and recently measured data of the average total kinetic energy as a function of incident neutron energy. The resulting evaluated data and covariances agree well with the experimental database used for the evaluation. However, the evaluated spectra are softer than the 235U and 239Pu ENDF/B-VII.1, JENDL-4.0 and JEFF-3.2 evaluations for incident neutron energies E inc ≤ 1.5 MeV and E inc ≤ 5 MeV, respectively. For E inc > 5 MeV, the evaluated spectra show structures due to the improved modeling which are not present in ENDF/B-VII.1 and JEFF-3.2 but can be observed in JENDL-4.0 evaluations. Part of these new evaluations were adopted for ENDF/B-VIII.0, while the ENDF/B-VII.1 239Pu PFNS was retained for E inc ≤ 5 MeV awaiting more conclusive experimental evidence.« less

Evaluations of Energy Spectra of Neutrons Emitted Promptly in Neutron-induced Fission of 235U and 239Pu

NASA Astrophysics Data System (ADS)

Neudecker, D.; Talou, P.; Kawano, T.; Kahler, A. C.; White, M. C.; Taddeucci, T. N.; Haight, R. C.; Kiedrowski, B.; O'Donnell, J. M.; Gomez, J. A.; Kelly, K. J.; Devlin, M.; Rising, M. E.

2018-02-01

The energy spectra of neutrons emitted promptly in the neutron-induced fission reactions of 235U and 239Pu were re-evaluated for ENDF/B-VIII.0. These evaluations are based on a careful modeling of all relevant physics processes, an extensive analysis of experimental data and a detailed quantification of pertinent uncertainties. Energy spectra of neutrons emitted in up to fourth chance fission are considered and both compound and pre-equilibrium processes are included. Also, important nuclear model parameters, such as the average total kinetic energy of the fission fragments and the multiple chance fission probabilities, and their uncertainties are estimated based on experimental knowledge, model information and evaluated data. In addition to experimental information already available for ENDF/B-VII.1, these new evaluations make use of recently published experimental data either of high precision or spanning a broad incident energy range, information on legacy measurements explaining discrepancies and recently measured data of the average total kinetic energy as a function of incident neutron energy. The resulting evaluated data and covariances agree well with the experimental database used for the evaluation. However, the evaluated spectra are softer than the 235U and 239Pu ENDF/B-VII.1, JENDL-4.0 and JEFF-3.2 evaluations for incident neutron energies Einc ≤ 1.5 MeV and Einc ≤ 5 MeV, respectively. For Einc > 5 MeV, the evaluated spectra show structures due to the improved modeling which are not present in ENDF/B-VII.1 and JEFF-3.2 but can be observed in JENDL-4.0 evaluations. Part of these new evaluations were adopted for ENDF/B-VIII.0, while the ENDF/B-VII.1 239Pu PFNS was retained for Einc ≤ 5 MeV awaiting more conclusive experimental evidence.

Evaluations of Energy Spectra of Neutrons Emitted Promptly in Neutron-induced Fission of 235 U and 239 Pu

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

Neudecker, Denise; Talou, Patrick; Kawano, Toshihiko

The energy spectra of neutrons emitted promptly in the neutron-induced fission reactions of 235U and 239Pu were re-evaluated for ENDF/B-VIII.0. The evaluations presented here are based on a careful modeling of all relevant physics processes, an extensive analysis of experimental data and a detailed quantification of pertinent uncertainties. Energy spectra of neutrons emitted in up to fourth chance fission are considered and both compound and pre-equilibrium processes are included. Also, important nuclear model parameters, such as the average total kinetic energy of the fission fragments and the multiple chance fission probabilities, and their uncertainties are estimated based on experimental knowledge,more » model information and evaluated data. In addition to experimental information already available for ENDF/B-VII.1, these new evaluations make use of recently published experimental data either of high precision or spanning a broad incident energy range, information on legacy measurements explaining discrepancies and recently measured data of the average total kinetic energy as a function of incident neutron energy. The resulting evaluated data and covariances agree well with the experimental database used for the evaluation. However, the evaluated spectra are softer than the 235U and 239Pu ENDF/B-VII.1, JENDL-4.0 and JEFF-3.2 evaluations for incident neutron energies E inc ≤ 1.5 MeV and E inc ≤ 5 MeV, respectively. For E inc > 5 MeV, the evaluated spectra show structures due to the improved modeling which are not present in ENDF/B-VII.1 and JEFF-3.2 but can be observed in JENDL-4.0 evaluations. Part of these new evaluations were adopted for ENDF/B-VIII.0, while the ENDF/B-VII.1 239Pu PFNS was retained for E inc ≤ 5 MeV awaiting more conclusive experimental evidence.« less

Kinetic analysis of F-actin depolymerization in polymorphonuclear leukocyte lysates indicates that chemoattractant stimulation increases actin filament number without altering the filament length distribution

PubMed Central

1991-01-01

The rate of filamentous actin (F-actin) depolymerization is proportional to the number of filaments depolarizing and changes in the rate are proportional to changes in filament number. To determine the number and length of actin filaments in polymorphonuclear leukocytes and the change in filament number and length that occurs during the increase in F-actin upon chemoattractant stimulation, the time course of cellular F-actin depolymerization in lysates of control and peptide- stimulated cells was examined. F-actin was quantified by the TRITC- labeled phalloidin staining of pelletable actin. Lysis in 1.2 M KCl and 10 microM DNase I minimized the effects of F-actin binding proteins and G-actin, respectively, on the kinetics of depolymerization. To determine filament number and length from a depolymerization time course, depolymerization kinetics must be limited by the actin monomer dissociation rate. Comparison of time courses of depolymerization in the presence (pointed ends free) or absence (barbed and pointed ends free) of cytochalasin suggested depolymerization occurred from both ends of the filament and that monomer dissociation was rate limiting. Control cells had 1.7 +/- 0.4 x 10(5) filaments with an average length of 0.29 +/- 0.09 microns. Chemo-attractant stimulation for 90 s at room temperature with 0.02 microM N-formylnorleucylleucylphenylalanine caused a twofold increase in F-actin and about a two-fold increase in the total number of actin filaments to 4.0 +/- 0.5 x 10(5) filaments with an average length of 0.27 +/- 0.07 microns. In both cases, most (approximately 80%) of the filaments were quite short (less than or equal to 0.18 micron). The length distributions of actin filaments in stimulated and control cells were similar. PMID:1918158

ON THE MAGNETIC AND ENERGY CHARACTERISTICS OF RECURRENT HOMOLOGOUS JETS FROM AN EMERGING FLUX

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

Liu, Jiajia; Wang, Yuming; Liu, Rui

In this paper, we present the detailed analysis of recurrent homologous jets originating from an emerging negative magnetic flux at the edge of an active region. The observed jets show multithermal features. Their evolution shows high consistence with the characteristic parameters of the emerging flux, suggesting that with more free magnetic energy, the eruptions tend to be more violent, frequent, and blowout-like. The average temperature, average electron number density, and axial speed are found to be similar for different jets, indicating that they should have been formed by plasmas from similar origins. Statistical analysis of the jets and their footpointmore » region conditions reveals a strong positive relationship between the footpoint region total 131 Å intensity enhancement and jets’ length/width. Stronger linearly positive relationships also exist between the total intensity enhancement/thermal energy of the footpoint regions and jets’ mass/kinetic/thermal energy, with higher cross-correlation coefficients. All the above results together confirm the direct relationship between the magnetic reconnection and the jets and validate the important role of magnetic reconnection in transporting large amounts of free magnetic energy into jets. It is also suggested that there should be more free energy released during the magnetic reconnection of blowout than of standard jet events.« less

Plasmatic antioxidant capacity due to ascorbate using TEMPO scavenging and electron spin resonance.

PubMed

Piehl, Lidia L; Facorro, Graciela B; Huarte, Mónica G; Desimone, Martín F; Copello, Guillermo J; Díaz, Luis E; de Celis, Emilio Rubín

2005-09-01

Ascorbate is the most effective water-soluble antioxidant and its plasma concentration is usually measured by different methods including colorimetric assays, HPLC or capillary electrophoresis. Plasma antioxidant capacity is determined by indexes such as total reactive antioxidant potential, total antioxidant reactivity, oxygen radical absorbance capacity, etc. We developed an alternative method for the evaluation of the plasma antioxidant status due to ascorbate. TEMPO kinetics scavenging analyzed by ESR spectroscopy was performed on plasma samples in different antioxidant situations. Plasma ascorbate concentrations were determined by capillary electrophoresis. Ascorbyl radical levels were measured by ESR. Plasma reactivity with TEMPO (PR-T) reflected plasma ascorbate levels. Average PR-T for normal plasmas resulted 85+/-27 micromol/l (n=43). PR-T during ascorbic acid intake (1 g/day) increased to an average value of 130+/-20 micromol/l (p<0.001, n=20). PR-T correlated with the plasmatic ascorbate levels determined by capillary electrophoresis (r=0.92), presenting as an advantage the avoiding of the deproteination step. Plasma ascorbyl radical levels increase from 16+/-2 to 24+/-3 nmol/l (p<0.005, n=14) after ascorbate intake. PR-T could be considered as a measure of the plasmatic antioxidant capacity due to the plasma ascorbate levels and could be useful to investigate different antioxidant situations.

Reexamining the role of the (n ,γ f ) process in the low-energy fission of 235U and 239Pu

NASA Astrophysics Data System (ADS)

Lynn, J. E.; Talou, P.; Bouland, O.

2018-06-01

The (n ,γ f ) process is reviewed in light of modern nuclear reaction calculations in both slow and fast neutron-induced fission reactions on 235U and 239Pu. Observed fluctuations of the average prompt fission neutron multiplicity and average total γ -ray energy below 100-eV incident neutron energy are interpreted in this framework. The surprisingly large contribution of the M 1 transitions to the prefission γ -ray spectrum of 239Pu is explained by the dominant fission probabilities of 0+ and 2+ transition states, which can only be accessed from compound nucleus states formed by the interaction of s -wave neutrons with the target nucleus in its ground state, and decaying through M 1 transitions. The impact of an additional low-lying M 1 scissors mode in the photon strength function is analyzed. We review experimental evidence for fission fragment mass and kinetic-energy fluctuations in the resonance region and their importance in the interpretation of experimental data on prompt neutron data in this region. Finally, calculations are extended to the fast energy range where (n ,γ f ) corrections can account for up to 3% of the total fission cross section and about 20% of the capture cross section.

Effect of static porosity fluctuations on reactive transport in a porous medium

NASA Astrophysics Data System (ADS)

L'Heureux, Ivan

2018-02-01

Reaction-diffusive transport phenomena in porous media are ubiquitous in engineering applications, biological and geochemical systems. The porosity field is usually random in space, but most models consider the porosity field as a well-defined deterministic function of space and time and ignore the porosity fluctuations. They use a reaction-diffusion equation written in terms of an average porosity and average concentration fields. In this contribution, we treat explicitly the effect of spatial porosity fluctuations on the dynamics of a concentration field for the case of a one-dimensional reaction-transport system with nonlinear kinetics. Three basic assumptions are considered. (i) The porosity fluctuations are assumed to have Gaussian properties and an arbitrary variance; (ii) we assume that the noise correlation length is small compared to the relevant macroscopic length scale; (iii) and we assume that the kinetics of the reactive term in the equations for the fluctuations is a self-consistently determined constant. Elimination of the fluctuating part of the concentration field from the dynamics leads to a renormalized equation involving the average concentration field. It is shown that the noise leads to a renormalized (generally smaller) diffusion coefficient and renormalized kinetics. Within the framework of the approximations used, numerical simulations are in agreement with our theory. We show that the porosity fluctuations may have a significant effect on the transport of a reactive species, even in the case of a homogeneous average porosity.

Transport of temperature-velocity covariance in gas-solid flow and its relation to the axial dispersion coefficient

NASA Astrophysics Data System (ADS)

Subramaniam, Shankar; Sun, Bo

2015-11-01

The presence of solid particles in a steady laminar flow generates velocity fluctuations with respect to the mean fluid velocity that are termed pseudo-turbulence. The level of these pseudo-turbulent velocity fluctuations has been characterized in statistically homogeneous fixed particle assemblies and freely evolving suspensions using particle-resolved direct numerical simulation (PR-DNS) by Mehrabadi et al. (JFM, 2015), and it is found to be a significant contribution to the total kinetic energy associated with the flow. The correlation of these velocity fluctuations with temperature (or a passive scalar) generates a flux term that appears in the transport equation for the average fluid temperature (or average scalar concentration). The magnitude of this transport of temperature-velocity covariance is quantified using PR-DNS of thermally fully developed flow past a statistically homogeneous fixed assembly of particles, and the budget of the average fluid temperature equation is presented. The relation of this transport term to the axial dispersion coefficient (Brenner, Phil. Trans. Roy. Soc. A, 1980) is established. The simulation results are then interpreted in the context of our understanding of axial dispersion in gas-solid flow. NSF CBET 1336941.

Atmospheric energetics in regions of intense convective activity

NASA Technical Reports Server (NTRS)

Fuelberg, H. E.

1977-01-01

Synoptic-scale budgets of kinetic and total potential energy are computed using 3- and 6-h data at nine times from NASA's fourth Atmospheric Variability Experiment (AVE IV). Two intense squall lines occurred during the period. Energy budgets for areas that enclose regions of intense convection are shown to have systematic changes that relate to the life cycles of the convection. Some of the synoptic-scale energy processes associated with the convection are found to be larger than those observed in the vicinity of mature cyclones. Volumes enclosing intense convection are found to have large values of cross-contour conversion of potential to kinetic energy and large horizontal export of kinetic energy. Although small net vertical transport of kinetic energy is observed, values at individual layers indicate large upward transport. Transfer of kinetic energy from grid to subgrid scales of motion occurs in the volumes. Latent heat release is large in the middle and upper troposphere and is thought to be the cause of the observed cyclic changes in the budget terms. Total potential energy is found to be imported horizontally in the lower half of the atmosphere, transported aloft, and then exported horizontally. Although local changes of kinetic energy and total potential energy are small, interaction between volumes enclosing convection with surrounding larger volumes is quite large.

To acquire more detailed radiation drive by use of ``quasi-steady'' approximation in atomic kinetics

NASA Astrophysics Data System (ADS)

Ren, Guoli; Pei, Wenbing; Lan, Ke; Gu, Peijun; Li, Xin

2012-10-01

In current routine 2D simulation of hohlraum physics, we adopt the principal-quantum- number(n-level) average atom model(AAM) in NLTE plasma description. However, the detailed experimental frequency-dependant radiative drive differs from our n-level simulated drive, which reminds us the need of a more detailed atomic kinetics description. The orbital-quantum- number(nl-level) average atom model is a natural consideration, however the nl-level in-line calculation needs much more computational resource. By distinguishing the rapid bound-bound atomic processes from the relative slow bound-free atomic processes, we found a method to build up a more detailed bound electron distribution(nl-level even nlm-level) using in-line n-level calculated plasma conditions(temperature, density, and average ionization degree). We name this method ``quasi-steady approximation'' in atomic kinetics. Using this method, we re-build the nl-level bound electron distribution (Pnl), and acquire a new hohlraum radiative drive by post-processing. Comparison with the n-level post-processed hohlraum drive shows that we get an almost identical radiation flux but with more fine frequency-denpending spectrum structure which appears only in nl-level transition with same n number(n=0) .

Multiplicity and rapidity dependence of strange hadron production in pp, pPb, and PbPb collisions at the LHC

DOE PAGES

Khachatryan, Vardan

2017-02-20

Measurements of strange hadron (K S 0, Λ+Λ¯, and Ξ–+Ξ¯+) transverse momentum spectra in pp, pPb, and Pb collisions are presented over a wide range of rapidity and event charged-particle multiplicity. The data were collected with the CMS detector at the CERN LHC in pppp collisions at √ sNN =7TeV, pPb collisions at View the MathML sourcesNN=5.02TeV, and Pb collisions at √ sNN = 2.76TeV. The average transverse kinetic energy is found to increase with multiplicity, at a faster rate for heavier strange particle species in all systems. At similar multiplicities, the difference in average transverse kinetic energy between differentmore » particle species is observed to be larger for pp and pPb events than for Pb events. In pPb collisions, the average transverse kinetic energy is found to be slightly larger in the Pb-going direction than in the p-going direction for events with large multiplicity. Lastly, the spectra are compared to models motivated by hydrodynamics.« less

Characterization and Computational Modeling of Minor Phases in Alloy LSHR

NASA Technical Reports Server (NTRS)

Jou, Herng-Jeng; Olson, Gregory; Gabb, Timothy; Garg, Anita; Miller, Derek

2012-01-01

The minor phases of powder metallurgy disk superalloy LSHR were studied. Samples were consistently heat treated at three different temperatures for long times to approach equilibrium. Additional heat treatments were also performed for shorter times, to assess minor phase kinetics in non-equilibrium conditions. Minor phases including MC carbides, M23C6 carbides, M3B2 borides, and sigma were identified. Their average sizes and total area fractions were determined. CALPHAD thermodynamics databases and PrecipiCalc(TradeMark), a computational precipitation modeling tool, were employed with Ni-base thermodynamics and diffusion databases to model and simulate the phase microstructural evolution observed in the experiments with an objective to identify the model limitations and the directions of model enhancement.

Solar wind energy transfer through the magnetopause of an open magnetosphere

NASA Technical Reports Server (NTRS)

Lee, L. C.; Roederer, J. G.

1982-01-01

An expression is derived for the total power, transferred from the solar wind to an open magnetosphere, which consists of the electromagnetic energy rate and the particle kinetic energy rate. The total rate of energy transferred from the solar wind to an open magnetosphere mainly consists of kinetic energy, and the kinetic energy flux is carried by particles, penetrating from the solar wind into the magnetosphere, which may contribute to the observed flow in the plasma mantle and which will eventually be convected slowly toward the plasma sheet by the electric field as they flow down the tail. While the electromagnetic energy rate controls the near-earth magnetospheric activity, the kinetic energy rate should dominate the dynamics of the distant magnetotail.

A study on spectral energy for the end of the twentieth century the basis of the NCEP reanalysis-II

NASA Astrophysics Data System (ADS)

Aranha, A. F.; Veiga, J. A.; Yoshida, M. C.

2013-05-01

The energy cycle proposed by Lorenz (1955) is composed of the behavior of the average energy from the atmosphere and characteristics of atmospheric energy deviations from this average, respectively called basic state and perturbed state. However, it is possible to discretize the energy contained in the atmosphere disturbed state, decomposing the fields of the various disturbances or harmonics wave type, so as to measure and analyze the energy of these disorders according to their number or wavelength, this methodology described second Saltzman (1957). Therefore, in view of the spectral analysis as a methodological basis, this work aims to study the energy contained by the atmosphere in disturbed state. Considering the terms of power generation potential available for nth waves due to diabatic heating, represented by (G(n)), potential energy of nth wave (P(n)) and kinetic energy of nth wave (K(n)) and the conversion of energy between the energy nth kinetic and potential energy of waves nth waves given by (C(n)). The variables used in the calculation of the terms above are, temperature (T) orthogonal components of the wind (u, v, w) and geopotential height (G) from a data set from the National Center for Environmental Prediction (NCEP) considering daily shared values on a regular grid with a spatial resolution of 2.5° × 2.5°, distributed in 12 pressure levels (1000, 925, 850, 700, 600, 500, 400, 300, 250, 200, 150, 100 hPa ) for the 1970 to 1999 period. The results show that for kinetic energy of disturbance to nth wave, the amount of energy is somewhat dammed during for the first 10 wave numbers in this range are the planetary waves and waves. Observing this way, we can conclude that these waves are responsible for much of the kinetic energy in disturbed state. A characteristic and a difference in the distribution of energy between kinetic energy and potential energy disturbed total available to disturbance, is the derivative of the energy wavenumber presented by P(n) as a derivative smoother, showing that the cascade potential energy no great leaps in energy between wavenumbers 10 onwards. The term conversion in potential energy of the disturbed state P(n) into kinetic energy of disorders K(n) reorensented by C(n) reveals important features in the energy spectrum. According to the results, the seasonal climatology of C(n), we note that the potential energy of the disturbed state feeds both the planetary waves and intermediate waves as synoptic scale. However, the production of kinetic energy of the waves from the energy potential of the perturbed state is greater for wavelengths larger or smaller number of waves. Note also that this term varies widely throughout the seasons. Importantly, negative values of C(n) are likely to occur, which would represent the conversion of kinetic energy into potential energy of the waves of the basic state. The values of the term climatological power generation potential available to nth waves due to diabatic heating, represented by G(n). The results show that the wavelength ranges 1 to 15 are primarily given for converting potential energy into kinetic energy.

Nitrogen balance and transformation in the nitrification process of coking wastewater and the influence on nitrification kinetics.

PubMed

Shan, Mingjun; Zhang, Yan; Kou, Lihong

2014-01-01

This paper describes the total nitrogen balance, and the direction and degree of nitrogen transformation during the nitrification process of coking wastewater. According to the actual nitrification process, the conventional nitrification kinetic equation was amended. After 48 h of nitrification, the total nitrogen content remained almost the same with error less than 0.6%. The total removal efficiency of NH4(+)-N was 91.1%, in which blow-off, producing cells and transforming to nitrate nitrogen accounted for 1.1, 17.8 and 72.2% respectively. Considering the influences of NH4(+)-N blow-off and conversion from cyanide, thiocyanide and organic nitrogen, the nitrification kinetic equation was amended as μ'=0.82·S/(0.48+S).

TNT Prout-Tompkins Kinetics Calibration with PSUADE

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

Wemhoff, A P; Hsieh, H

2007-04-11

We used the code PSUADE to calibrate Prout-Tompkins kinetic parameters for pure recrystallized TNT. The calibration was based on ALE3D simulations of a series of One Dimensional Time to Explosion (ODTX) experiments. The resultant kinetic parameters differed from TNT data points with an average error of 28%, which is slightly higher than the value of 23% previously calculated using a two-point optimization. The methodology described here provides a basis for future calibration studies using PSUADE. The files used in the procedure are listed in the Appendix.

Relativistic Kinetic Theory

NASA Astrophysics Data System (ADS)

Vereshchagin, Gregory V.; Aksenov, Alexey G.

2017-02-01

Preface; Acknowledgements; Acronyms and definitions; Introduction; Part I. Theoretical Foundations: 1. Basic concepts; 2. Kinetic equation; 3. Averaging; 4. Conservation laws and equilibrium; 5. Relativistic BBGKY hierarchy; 6. Basic parameters in gases and plasmas; Part II. Numerical Methods: 7. The basics of computational physics; 8. Direct integration of Boltzmann equations; 9. Multidimensional hydrodynamics; Part III. Applications: 10. Wave dispersion in relativistic plasma; 11. Thermalization in relativistic plasma; 12. Kinetics of particles in strong fields; 13. Compton scattering in astrophysics and cosmology; 14. Self-gravitating systems; 15. Neutrinos, gravitational collapse and supernovae; Appendices; Bibliography; Index.

Kinetics of formation of nanoparticles from first group metal carboxylates

NASA Astrophysics Data System (ADS)

Solov'ev, M. E.; Irzhak, T. F.; Irzhak, V. I.

2015-09-01

A kinetic model of the formation of metal nanoparticles via reduction of their carboxylates under conditions of clustering is proposed. It is found that the kinetics of the process is characterized by an induction period in carboxylate consumption and by almost linear growth of the average size of nanoparticles with conversion. It is shown that the maximum rate of nanoparticle formation grows along with the rate of ternary associate formation, the induction period becomes longer, and the particle size decreases. At the same time, it is characterized by a narrow size distribution.

Faster cross-bridge detachment and increased tension cost in human hypertrophic cardiomyopathy with the R403Q MYH7 mutation.

PubMed

Witjas-Paalberends, E Rosalie; Ferrara, Claudia; Scellini, Beatrice; Piroddi, Nicoletta; Montag, Judith; Tesi, Chiara; Stienen, Ger J M; Michels, Michelle; Ho, Carolyn Y; Kraft, Theresia; Poggesi, Corrado; van der Velden, Jolanda

2014-08-01

The first mutation associated with hypertrophic cardiomyopathy (HCM) is the R403Q mutation in the gene encoding β-myosin heavy chain (β-MyHC). R403Q locates in the globular head of myosin (S1), responsible for interaction with actin, and thus motor function of myosin. Increased cross-bridge relaxation kinetics caused by the R403Q mutation might underlie increased energetic cost of tension generation; however, direct evidence is absent. Here we studied to what extent cross-bridge kinetics and energetics are related in single cardiac myofibrils and multicellular cardiac muscle strips of three HCM patients with the R403Q mutation and nine sarcomere mutation-negative HCM patients (HCMsmn). Expression of R403Q was on average 41 ± 4% of total MYH7 mRNA. Cross-bridge slow relaxation kinetics in single R403Q myofibrils was significantly higher (P < 0.0001) than in HCMsmn myofibrils (0.47 ± 0.02 and 0.30 ± 0.02 s(-1), respectively). Moreover, compared to HCMsmn, tension cost was significantly higher in the muscle strips of the three R403Q patients (2.93 ± 0.25 and 1.78 ± 0.10 μmol l(-1) s(-1) kN(-1) m(-2), respectively) which showed a positive linear correlation with relaxation kinetics in the corresponding myofibril preparations. This correlation suggests that faster cross-bridge relaxation kinetics results in an increase in energetic cost of tension generation in human HCM with the R403Q mutation compared to HCMsmn. Therefore, increased tension cost might contribute to HCM disease in patients carrying the R403Q mutation. © 2014 The Authors. The Journal of Physiology © 2014 The Physiological Society.

Contributions of divergent and nondivergent winds to the kinetic energy balance of a severe storm environment

NASA Technical Reports Server (NTRS)

Browning, P. A.; Fuelberg, H. E.

1983-01-01

Divergent and rotational components of the synoptic scale kinetic energy balance are presented using rawinsonde data at 3 and 6 h intervals from the Atmospheric Variability Experiment (AVE 4). Two intense thunderstorm complexes occurred during the period. Energy budgets are described for the entire computational region and for limited volumes that enclose and move with the convection. Although small in magnitude, the divergent wind component played an important role in the cross contour generation and horizontal flux divergence of kinetic energy. The importance of V sub D appears directly to the presence and intensity of convection within the area. Although K sub D usually comprised less than 10 percent of the total kinetic energy content within the storm environment, as much as 87 percent of the total horizontal flux divergence and 68 percent of the total cross contour generation was due to the divergent component in the upper atmosphere. Generation of kinetic energy by the divergent component appears to be a major factor in the creation of an upper level wind maximum on the poleward side of one of the complexes. A random error analysis is presented to assess confidence limits in the various energy parameters.

Time-dependent cell disintegration kinetics in lung tumors after irradiation

NASA Astrophysics Data System (ADS)

Chvetsov, Alexei V.; Palta, Jatinder J.; Nagata, Yasushi

2008-05-01

We study the time-dependent disintegration kinetics of tumor cells that did not survive radiotherapy treatment. To evaluate the cell disintegration rate after irradiation, we studied the volume changes of solitary lung tumors after stereotactic radiotherapy. The analysis is performed using two approximations: (1) tumor volume is a linear function of the total cell number in the tumor and (2) the cell disintegration rate is governed by the exponential decay with constant risk, which is defined by the initial cell number and a half-life T1/2. The half-life T1/2 is determined using the least-squares fit to the clinical data on lung tumor size variation with time after stereotactic radiotherapy. We show that the tumor volume variation after stereotactic radiotherapy of solitary lung tumors can be approximated by an exponential function. A small constant component in the volume variation does not change with time; however, this component may be the residual irregular density due to radiation fibrosis and was, therefore, subtracted from the total volume variation in our computations. Using computerized fitting of the exponent function to the clinical data for selected patients, we have determined that the average half-life T1/2 of cell disintegration is 28.2 days for squamous cell carcinoma and 72.4 days for adenocarcinoma. This model is needed for simulating the tumor volume variation during radiotherapy, which may be important for time-dependent treatment planning of proton therapy that is sensitive to density variations.

CELL POPULATION KINETICS OF EXCISED ROOTS OF PISUM SATIVUM

PubMed Central

Van't Hof, Jack

1965-01-01

The cell population kinetics of excised, cultured pea roots was studied with the use of tritiated thymidine and colchicine to determine (1) the influence of excision, (2) the influence of sucrose concentration, (3) the average mitotic cycle duration, and (4) the duration of mitosis and the G 1, S, and G 2 periods of interphase.1 The results indicate that the process of excision causes a drop in the frequency of mitotic figures when performed either at the beginning of the culture period or after 100 hours in culture. This initial decrease in frequency of cell division is independent of sucrose concentration, but the subsequent rise in frequency of division, after 12 hours in culture, is dependent upon sucrose concentration. Two per cent sucrose maintains the shortest mitotic cycle duration. The use of colchicine indicated an average cycle duration of 20 hours, whereas the use of tritiated thymidine produced an average cycle duration of 17 hours. PMID:5857253

The intensity of knock in an internal combustion engine: An experimental and modeling study

NASA Astrophysics Data System (ADS)

Cowart, J. S.; Haghooie, M.; Newman, C. E.; Davis, G. C.; Pitz, W. J.; Westbrook, C. K.

1992-09-01

Experimental data have been obtained that characterize knock occurrence times and knock intensities in a spark ignition engine operating on indolene and 91 primary reference fuel, as spark timing and inlet temperature were varied. Individual, in-cylinder pressure histories measured under knocking conditions were conditioned and averaged to obtain representative pressure traces. These averaged pressure histories were used as input to a reduced and detailed chemical kinetic model. The time derivative of CO concentration and temperature were correlated with the measured knock intensity and percent cycles knocking. The goal was to evaluate the potential of using homogeneous, chemical kinetic models as predictive tools for knock intensity.

Ballistic parameters and trauma potential of pistol crossbows.

PubMed

Frank, Matthias; Schikorr, Wolfgang; Tesch, Ralf; Werner, Ronald; Hanisch, Steffen; Peters, Dieter; Ekkernkamp, Axel; Bockholdt, Britta; Seifert, Julia

2013-07-01

Hand-held pistol crossbows, which are smaller versions of conventional crossbows, have recently increased in popularity. Similar to conventional crossbows, life threatening injuries due to bolts discharged from pistol crossbows are reported in forensic and traumatological literature. While the ballistic background of conventional crossbows is comprehensively investigated, there are no investigations on the characteristic ballistic parameters (draw force, potential energy, recurve factor, kinetic energy, and efficiency) of pistol crossbows. Two hand-held pistol crossbows (Barnett Commando and Mini Cross Bow, rated draw force 362.9 N or 80 lbs) were tested. The maximum draw force was investigated using a dynamic tensile testing machine (TIRAtest 2705, TIRA GmbH). The potential energy was determined graphically by polynomial regression as area under the force-draw curve. External ballistic parameters of the bolts discharged from pistol crossbows were measured using a redundant ballistic speed measurement system (Dual-BMC 21a and Dual-LS 1000, Werner Mehl Kurzzeitmesstechnik). The average maximum draw force was 190.3 and 175.6 N for the Barnett and Mini Cross Bow, respectively. The corresponding total energy expended was 10.7 and 11 J, respectively. The recurve factor was calculated to be 0.705 and 1.044, respectively. Average bolt velocity was measured 43 up to 52 m/s. The efficiency was calculated up to 0.94. To conclude, this work provides the pending ballistic data on this special subgroup of crossbows which operate on a remarkable low kinetic energy level. Furthermore, it demonstrates that the nominal draw force pretended in the sales brochure is grossly exaggerated.

Vibrationally Excited Carbon Monoxide Produced via a Chemical Reaction Between Carbon Vapor and Oxygen

NASA Astrophysics Data System (ADS)

Jans, Elijah R.; Eckert, Zakari; Frederickson, Kraig; Rich, Bill; Adamovich, Igor V.

2017-06-01

Measurements of the vibrational distribution function of carbon monoxide produced via a reaction between carbon vapor and molecular oxygen has shown a total population inversion on vibrational levels 4-7. Carbon vapor, produced using an arc discharge to sublimate graphite, is mixed with an argon oxygen flow. The excited carbon monoxide is vibrationally populated up to level v=14, at low temperatures, T=400-450 K, in a collision-dominated environment, 15-20 Torr, with total population inversions between v=4-7. The average vibrational energy per CO molecule formed by the reaction is 0.6-1.2 eV/molecule, which corresponds to 10-20% of the reaction enthalpy. Kinetic modeling of the flow reactor, including state specific vibrational processes, was performed to infer the vibrational distribution of the products of the reaction. The results show viability of developing of a new chemical CO laser from the reaction of carbon vapor and oxygen.

Rapid rates of aerobic methane oxidation at the feather edge of gas hydrate stability in the waters of Hudson Canyon, US Atlantic Margin

NASA Astrophysics Data System (ADS)

Leonte, Mihai; Kessler, John D.; Kellermann, Matthias Y.; Arrington, Eleanor C.; Valentine, David L.; Sylva, Sean P.

2017-05-01

Aerobic oxidation is an important methane sink in seawater overlying gas seeps. Recent surveys have identified active methane seeps in the waters of Hudson Canyon, US Atlantic Margin near the updip limit of methane clathrate hydrate stability. The close proximity of these seeps to the upper stability limit of methane hydrates suggests that changing bottom water temperatures may influence the release rate of methane into the overlying water column. In order to assess the significance of aerobic methane oxidation in limiting the atmospheric expression of methane released from Hudson Canyon, the total extent of methane oxidized along with integrated oxidation rates were quantified. These calculations were performed by combining the measurements of the natural levels of methane concentrations, stable carbon isotopes, and water current velocities into kinetic isotope models yielding rates ranging from 22.8 ± 17 to 116 ± 76 nM/day with an average of 62.7 ± 37 nM/day. Furthermore, an average of 63% of methane released into the water column from an average depth of 515 m was oxidized before leaving this relatively small study area (6.5 km2). Results from the kinetic isotope model were compared to previously-published but concurrently-sampled ex situ measurements of oxidation potential performed using 13C-labeled methane. Ex situ rates were substantially lower, ranging from 0.1 to 22.5 nM/day with an average of 5.6 ± 2.3 nM/day, the discrepancy likely due to the inherent differences between these two techniques. Collectively, the results reveal exceptionally-rapid methane oxidation, with turnover times for methane as low as 0.3-3.7 days, indicating that methane released to the water column is removed quantitatively within the greater extent of Hudson Canyon. The red line represents the original Rayleigh model output, Eq. (1), detailed in the text. The red line represents the original Rayleigh model output, Eq. (1), detailed in the text.

Squatting Exercises in Older Adults: Kinematic and Kinetic Comparisons

PubMed Central

FLANAGAN, SEAN; SALEM, GEORGE J.; WANG, MAN-YING; SANKER, SERENA E.; GREENDALE, GAIL A.

2012-01-01

Purpose Squatting activities may be used, within exercise programs, to preserve physical function in older adults. This study characterized the lower-extremity peak joint angles, peak moments, powers, work, impulse, and muscle recruitment patterns (electromyographic; EMG) associated with two types of squatting activities in elders. Methods Twenty-two healthy, older adults (ages 70–85) performed three trials each of: 1) a squat to a self-selected depth (normal squat; SQ) and 2) a squat onto a chair with a standardized height of 43.8 cm (chair squat; CSQ). Descending and ascending phase joint kinematics and kinetics were obtained using a motion analysis system and inverse dynamics techniques. Results were averaged across the three trials. A 2 × 2 (activity × phase) ANOVA with repeated measures was used to examine the biomechanical differences among the two activities and phases. EMG temporal characteristics were qualitatively examined. Results CSQ generated greater hip flexion angles, peak moments, power, and work, whereas SQ generated greater knee and ankle flexion angles, peak moments, power, and work. SQ generated a greater knee extensor impulse, a greater plantar flexor impulse and a greater total support impulse. The EMG temporal patterns were consistent with the kinetic data. Conclusions The results suggest that, with older adults, CSQ places greater demand on the hip extensors, whereas SQ places greater demand on the knee extensors and ankle plantar flexors. Clinicians may use these discriminate findings to more effectively target specific lower-extremity muscle groups when prescribing exercise for older adults. PMID:12673148

Kinetics of thermal and photo-initiated release of tris (1,3-dichloro-2-propyl) phosphate (TDCP) flame retardant from polyurethane foam materials.

PubMed

Ghanem, Raed A

2015-01-01

Kinetics of thermal and photo-initiated release of Tris (1.3-dichloro-2-propyl) phosphate (TDCP) from the polyurethane foam (PUF) materials were studied using a validated chromatographic method with linear calibration curve in the range of 0.03-400 μg mL(-1). Time dependence of TDCP leaching from foam samples was found to follow first-order kinetics; with rate constants directly dependent on ageing temperatures and intensity of UV radiation, rate constants for the thermally and photo initiated were 3.6 × 10(-3), 1.03 × 10(-2), 3.6 × 10(-2) and 3.94 × 10(-2) day(-1), respectively. Migration of TDCP from foam samples simulating skin or oral exposure were observed from all samples regardless of their ageing history, the presence of biological fluids found to enhance the migration rate. Oral exposure to foam material contains TDCP, which was simulated using the Head-over-Heels test, reveals that an average amount of ∼ 1.7% wt./wt. of the total amount of TDCP was found to leach into biological fluids, and it significantly increased to ∼ 6.0% wt./wt. due to ageing conditions. Direct contact between foam material and skin simulated by using the Contact Blotting test reveals that TDCP is transferred from both aged and un-aged samples at different rates, due to the presence of biological fluids; the transferred amount is increased with ageing conditions.

Comparison of activated carbon and iron/cerium modified activated carbon to remove methylene blue from wastewater.

PubMed

Cheng, Song; Zhang, Libo; Ma, Aiyuan; Xia, Hongying; Peng, Jinhui; Li, Chunyang; Shu, Jianhua

2018-03-01

The methylene blue (MB) removal abilities of raw activated carbon and iron/cerium modified raw activated carbon (Fe-Ce-AC) by adsorption were researched and compared. The characteristics of Fe-Ce-AC were examined by N 2 adsorption, zeta potential measurement, FTIR, Raman, XRD, XPS, SEM and EDS. After modification, the following phenomena occurred: The BET surface area, average pore diameter and total pore volume decreased; the degree of graphitization also decreased. Moreover, the presence of Fe 3 O 4 led to Fe-Ce-AC having magnetic properties, which makes it easy to separate from dye wastewater in an external magnetic field and subsequently recycle. In addition, the equilibrium isotherms and kinetics of MB adsorption on raw activated carbon and Fe-Ce-AC were systematically examined. The equilibrium adsorption data indicated that the adsorption behavior followed the Langmuir isotherm, and the pseudo-second-order model matched the kinetic data well. Compared with raw activated carbon, the maximum monolayer adsorption capacity of Fe-Ce-AC increased by 27.31%. According to the experimental results, Fe-Ce-AC can be used as an effective adsorbent for the removal of MB from dye wastewater. Copyright © 2017. Published by Elsevier B.V.

Adsorption and Exchange Dynamics in Aging Hydroxyethylcellulose Layers on Silica.

PubMed

Mubarekyan; Santore

2000-07-15

The adsorption kinetics of hydroxyethylcellulose (HEC) on silica and relaxations in adsorbed HEC layers were probed using total internal reflectance fluorescence and near-Brewster reflectivity. Like many random-coil polymers, HEC was found to adsorb at the transport-limited rate. Relaxations occurred at nearly constant interfacial mass when HEC layers were exposed to aqueous solvent, causing the subsequent exchange of chains between the layer and the free solution to become increasingly hindered. Eventually, on the time scale of a day, layers became immobilized and unable to accommodate chains from free solution. A continued fluorescence decay, beyond time scales that could be probed with self exchange, suggested further relaxations of the adsorbed HEC. The polydisperse HEC system (with an average molecular weight near 450,000) behaved qualitatively similar to molecular weight standard polyethylene oxide (PEO) layers on silica. For instance, relaxations in PEO layers occurred on a time scale of 10-20 h, like the HEC layers. Young layers of the latter, however, exhibited self-exchange kinetics that were an order of magnitude slower than PEO layers of similar age. This difference in adsorbed layer dynamics was attributed to HEC's stiffer backbone, compared with flexible PEO. Copyright 2000 Academic Press.

NATIONAL GEODATABASE OF TIDAL STREAM POWER RESOURCE IN USA

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

Smith, Brennan T; Neary, Vincent S; Stewart, Kevin M

2012-01-01

A geodatabase of tidal constituents is developed to present the regional assessment of tidal stream power resource in the USA. Tidal currents are numerically modeled with the Regional Ocean Modeling System (ROMS) and calibrated with the available measurements of tidal current speeds and water level surfaces. The performance of the numerical model in predicting the tidal currents and water levels is assessed by an independent validation. The geodatabase is published on a public domain via a spatial database engine with interactive tools to select, query and download the data. Regions with the maximum average kinetic power density exceeding 500 W/m2more » (corresponding to a current speed of ~1 m/s), total surface area larger than 0.5 km2 and depth greater than 5 m are defined as hotspots and documented. The regional assessment indicates that the state of Alaska (AK) has the largest number of locations with considerably high kinetic power density, followed by, Maine (ME), Washington (WA), Oregon (OR), California (CA), New Hampshire (NH), Massachusetts (MA), New York (NY), New Jersey (NJ), North and South Carolina (NC, SC), Georgia (GA), and Florida (FL).« less

Coincident measurements of prompt fission γ rays and fission fragments at DANCE

NASA Astrophysics Data System (ADS)

Walker, C. L.; Baramsai, B.; Jandel, M.; Rusev, G.; Couture, A.; Mosby, S.; Ullmann, J.; Kawano, T.; Stetcu, I.; Talou, P.

2015-10-01

Modern statistical approaches to modeling fission involve the calculation of not only average quantities but also fully correlated distributions of all fission products. Applications such as those involving the detection of special nuclear materials also rely on fully correlated data of fission products. Experimental measurements of correlated data are thus critical to the validation of theory and the development of important applications. The goal of this experiment was to measure properties of prompt fission gamma-ray emission as a function of fission fragments' total kinetic energy in the spontaneous fission of 252Cf. The measurement was carried out at the Detector for Advanced Neutron Capture Experiments (DANCE), a 4 π γ-ray calorimeter. A prototype design consisting of two silicon detectors was installed in the center of DANCE, allowing simultaneous measurement of fission fragments and γ rays. Effort has been taken to simulate fragment kinetic energy losses as well as γ-ray attenuation in DANCE using such tools as GEANT4 and SRIM. Theoretical predictions generated by the code CGMF were also incorporated as input for these simulations. Results from the experiment and simulations will be presented, along with plans for future measurements.

Thermodynamic Behavior in Decaying Compressible Turbulence with Initially Dominant Temperature Fluctuations

NASA Astrophysics Data System (ADS)

Cai, X. D.; O'Brien, Edward E.; Ladeinde, Foluso

1996-11-01

Direct numerical simulation of decaying, isotropic, compressible turbulence in three dimensions is used to examine the behavior of fluctuations in density, temperature, and pressure when the initial conditions include temperature fluctuations larger than pressure fluctuations. The numerical procedure is described elsewhere (Ladeinde, F. et al.,) Phys. Fluids 7(11), pp. 2848 (1995), the initial turbulence Mach number range is subsonic, 0.3 to 0.7, and, following Ghosh and Matthaeus(Ghosh, S. and Matthaeus, W. H. Phys. Fluids A, pp. 148 (1991)), the initial compressible turbulence is characterized as a: mostly solenoidal, b: random, or c: longitudinal. These cases represent, respectively, ratios of initial kinetic energy in the compressible modes to total initial kinetic energy, say \\chi_0, which are either a: very small, b: about 0.6, or c: near unity. Thermodynamic scalings at the lowest values of initial Mach number and \\chi0 follow the predictions of Zank and Matthaeus (Zank, G. P. and Matthaeus, W. H. Phys. Fluids A(3), pp. 69 (1991)), but not otherwise. The relationship between \\chi, Mach number, and compressible pressure predicted by Sarkar et al.(Sarkar, S. et al.,) J. Fluid Mech. 227, pp. 473 (1991) applies, on average, to all cases computed.

Pyrolysis and kinetic analyses of a perennial grass (Saccharum ravannae L.) from north-east India: Optimization through response surface methodology and product characterization.

PubMed

Saikia, Ruprekha; Baruah, Bhargav; Kalita, Dipankar; Pant, Kamal K; Gogoi, Nirmali; Kataki, Rupam

2018-04-01

The objective of the present investigation was to optimize the pyrolysis condition of an abundantly available and low cost perennial grass of north-east India Saccharum ravannae L. (S. ravannae) using response surface methodology based on central composite design. Kinetic study of the biomass was conducted at four different heating rates of 10, 20, 40 and 60 °C min -1 and results were interpreted by Friedman, Kissinger Akira Sunnose and Flynn-Wall-Ozawa methods. Average activation energy 151.45 kJ mol -1 was used for evaluation of reaction mechanism following Criado master plot. Maximum bio-oil yield of 38.1 wt% was obtained at pyrolysis temperature of 550 °C, heating rate of 20 °C min -1 and nitrogen flow rate of 226 mL min -1 . Study on bio-oil quality revealed higher content of hydrocarbon, antioxidant property, total phenolic content and metal chelating capacity. These opened up probable applications of S. ravannae bio-oil in different fields including fuel, food industry and biomedical domain. Copyright © 2018 Elsevier Ltd. All rights reserved.

Lagrangian averaging with geodesic mean

NASA Astrophysics Data System (ADS)

Oliver, Marcel

2017-11-01

This paper revisits the derivation of the Lagrangian averaged Euler (LAE), or Euler-α equations in the light of an intrinsic definition of the averaged flow map as the geodesic mean on the volume-preserving diffeomorphism group. Under the additional assumption that first-order fluctuations are statistically isotropic and transported by the mean flow as a vector field, averaging of the kinetic energy Lagrangian of an ideal fluid yields the LAE Lagrangian. The derivation presented here assumes a Euclidean spatial domain without boundaries.

Lagrangian averaging with geodesic mean.

PubMed

Oliver, Marcel

2017-11-01

This paper revisits the derivation of the Lagrangian averaged Euler (LAE), or Euler- α equations in the light of an intrinsic definition of the averaged flow map as the geodesic mean on the volume-preserving diffeomorphism group. Under the additional assumption that first-order fluctuations are statistically isotropic and transported by the mean flow as a vector field, averaging of the kinetic energy Lagrangian of an ideal fluid yields the LAE Lagrangian. The derivation presented here assumes a Euclidean spatial domain without boundaries.

Oxidation characteristics of porous-nickel prepared by powder metallurgy and cast-nickel at 1273 K in air for total oxidation time of 100 h.

PubMed

Mohamed, Lamiaa Z; Ghanem, Wafaa A; El Kady, Omayma A; Lotfy, Mohamed M; Ahmed, Hafiz A; Elrefaie, Fawzi A

2017-11-01

The oxidation behavior of two types of inhomogeneous nickel was investigated in air at 1273 K for a total oxidation time of 100 h. The two types were porous sintered-nickel and microstructurally inhomogeneous cast-nickel. The porous-nickel samples were fabricated by compacting Ni powder followed by sintering in vacuum at 1473 K for 2 h. The oxidation kinetics of the samples was determined gravimetrically. The topography and the cross-section microstructure of each oxidized sample were observed using optical and scanning electron microscopy. X-ray diffractometry and X-ray energy dispersive analysis were used to determine the nature of the formed oxide phases. The kinetic results revealed that the porous-nickel samples had higher trend for irreproducibility. The average oxidation rate for porous- and cast-nickel samples was initially rapid, and then decreased gradually to become linear. Linear rate constants were 5.5 × 10 -8  g/cm 2  s and 3.4 × 10 -8  g/cm 2  s for the porous- and cast-nickel samples, respectively. Initially a single-porous non-adherent NiO layer was noticed on the porous- and cast-nickel samples. After a longer time of oxidation, a non-adherent duplex NiO scale was formed. The two layers of the duplex scales were different in color. NiO particles were observed in most of the pores of the porous-nickel samples. Finally, the linear oxidation kinetics and the formation of porous non-adherent duplex oxide scales on the inhomogeneous nickel substrates demonstrated that the addition of new layers of NiO occurred at the scale/metal interface due to the thermodynamically possible reaction between Ni and the molecular oxygen migrating inwardly.

Neoclassical toroidal plasma viscosity in the vicinity of the magnetic axis in tokamaks with broken symmetry

NASA Astrophysics Data System (ADS)

Shaing, K. C.; Lee, H.; Seol, J.; Aydemir, A. Y.

2015-08-01

Theory for neoclassical toroidal plasma viscosity in the low collisionality regime is extended to the vicinity of the magnetic axis in tokamaks with broken symmetry. The toroidal viscosity is induced by particles drifting off the perturbed magnetic surface under the influence of the symmetry breaking magnetic field. In the region away from the magnetic axis, the drift orbit dynamics is governed by the bounce averaged drift kinetic equation in the low collisionality regimes. In the vicinity of the magnetic axis, it is the drift kinetic equation, averaged over the trapped particle orbits, i.e., potato orbits, that governs the drift dynamics. The orbit averaged drift kinetic equation is derived when collision frequency is low enough for trapped particles to complete their potato trajectories. The resultant equation is solved in the 1 /ν regime to obtain transport fluxes and, thus, toroidal plasma viscosity through flux-force relation. Here, ν is the collision frequency. The viscosity does not vanish on the magnetic axis, and has the same scalings as that in the region away from magnetic axis, except that the fraction of bananas is replaced by the fraction of potatoes. It also has a weak radial dependence. Modeling of plasma flow velocity V for the case where the magnetic surfaces are broken is also discussed.

Study of Cleanliness of High Nitrogen Steel in ESR

NASA Astrophysics Data System (ADS)

Xuwei, Tang; Rong, Zhu

This paper compares inclusions in high nitrogen steel before and after ESR process, analyzes the influence of slag systems and total oxygen content in consumable ingots. The total oxygen content is reduced apparently during ESR process, which indicates good effects on removal of inclusions. In the experiment, it shows that different slag systems will affect the result of inclusions removal significantly; proper w(CaO/Al2O3) will reduce the level of inclusions and total oxygen content in ESR ingots. In ESR process, the type and chemical composition of inclusions have no difference when oxygen content in consumable ingots is different, which means O content in consumable ingots have no direct relationship with cleanliness of ESR ingots. In typical inclusions, w(MnO)/w(MnO+Al2O3)≈0.23 0.32. The total oxygen content of ESR ingots keeps between 20 30ppm when the oxygen contents in consumable ingots are diverse from 40 to 100ppm. Meanwhile, this paper studies desulfurization process of high nitrogen steel in ESR, analyzes the influence of slag systems a nd remelting rates on desulfurization efficiency. The results indicate that the average size and quant ity of sulfide inclusion decrease after ESR process. The typical inclusion after ESR process is MnS+Al2O3. Slag system with proper CaO content has higher sulfur partition ratio, which leads to better desulfurization effect. The desulfurization rate changes greatly with different remelting rates, which indicates the kinetic parameter has more influence in desulfurization. The reason of this phenomenon is that the process of desulfurization can be considered as a non-equilibrium reaction, which differs with thermodynamic equilibrium. In kinetic study, it is founded that the desulfurization efficiency increases with higher remelting area, sulfur partition and lower remelting rate, which is different from experiment. The desulfurization efficiency decreases firstly and then recovers when remelting rate drops. The enrichment of sulfide in slag results in resulfurization in steel, which leads to lower desulfurization efficiency.

Effects of Convective Transport of Solute and Impurities on Defect-Causing Kinetics Instabilities in Protein Crystallization

NASA Technical Reports Server (NTRS)

Vekilov, Peter G.

2002-01-01

The objective of the proposed research is to obtain further insight into the onset and development of the defect-causing instabilities that anise due to the coupling of the bulk transport and nonlinear-interfacial kinetics during growth in the mixed regime, utilizing the reduction of the convective contribution to the bulk transport under microgravity. These studies will build upon the data on the effects of quantitative variations of the forced convection velocity on the averaged and time-dependent kinetic behavior of protein crystal growth systems that have recently been obtained in our laboratory.

Reexamining the role of the ( n , γ f ) process in the low-energy fission of U 235 and Pu 239

DOE PAGES

Lynn, J. E.; Talou, P.; Bouland, O.

2018-06-01

In this paper, themore » $$(n,{\\gamma}f)$$ process is reviewed in light of modern nuclear reaction calculations in both slow and fast neutron-induced fission reactions on $$^{235}\\mathrm{U}$$ and $$^{239}\\mathrm{Pu}$$. Observed fluctuations of the average prompt fission neutron multiplicity and average total $${\\gamma}$$-ray energy below 100-eV incident neutron energy are interpreted in this framework. The surprisingly large contribution of the $M1$ transitions to the prefission $${\\gamma}$$-ray spectrum of $$^{239}\\mathrm{Pu}$$ is explained by the dominant fission probabilities of $${0}^{+}$$ and $${2}^{+}$$ transition states, which can only be accessed from compound nucleus states formed by the interaction of $s$-wave neutrons with the target nucleus in its ground state, and decaying through $M1$ transitions. The impact of an additional low-lying $M1$ scissors mode in the photon strength function is analyzed. We review experimental evidence for fission fragment mass and kinetic-energy fluctuations in the resonance region and their importance in the interpretation of experimental data on prompt neutron data in this region. In conclusion, calculations are extended to the fast energy range where $$(n,{\\gamma}f)$$ corrections can account for up to 3% of the total fission cross section and about 20% of the capture cross section.« less

Reexamining the role of the ( n , γ f ) process in the low-energy fission of U 235 and Pu 239

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

Lynn, J. E.; Talou, P.; Bouland, O.

In this paper, themore » $$(n,{\\gamma}f)$$ process is reviewed in light of modern nuclear reaction calculations in both slow and fast neutron-induced fission reactions on $$^{235}\\mathrm{U}$$ and $$^{239}\\mathrm{Pu}$$. Observed fluctuations of the average prompt fission neutron multiplicity and average total $${\\gamma}$$-ray energy below 100-eV incident neutron energy are interpreted in this framework. The surprisingly large contribution of the $M1$ transitions to the prefission $${\\gamma}$$-ray spectrum of $$^{239}\\mathrm{Pu}$$ is explained by the dominant fission probabilities of $${0}^{+}$$ and $${2}^{+}$$ transition states, which can only be accessed from compound nucleus states formed by the interaction of $s$-wave neutrons with the target nucleus in its ground state, and decaying through $M1$ transitions. The impact of an additional low-lying $M1$ scissors mode in the photon strength function is analyzed. We review experimental evidence for fission fragment mass and kinetic-energy fluctuations in the resonance region and their importance in the interpretation of experimental data on prompt neutron data in this region. In conclusion, calculations are extended to the fast energy range where $$(n,{\\gamma}f)$$ corrections can account for up to 3% of the total fission cross section and about 20% of the capture cross section.« less

Dynamics of the reactions of O(1D) with HCl, DCl, and Cl2

NASA Astrophysics Data System (ADS)

Matsumi, Yutaka; Tonokura, Kenichi; Kawasaki, Masahiro; Tsuji, Kazuhide; Obi, Kinichi

1993-05-01

The reactions O(1D)+HCl→OH+Cl (1a) and OCl+H (1b), O(1D)+DCl→OD+Cl (2a) and OCl+D (2b), and O(1D)+Cl2→OCl+Cl (3) are studied at an average collision energy of 7.6, 7.7, and 8.8 kcal/mol for (1), (2), and (3), respectively. H, D, and Cl atoms are detected by the resonance-enhanced multiphoton ionization technique. The average kinetic energies released to the products are estimated from Doppler profile measurements of the product atoms. The relative yields [OCl+H]/[OH+Cl] and [OCl+D]/[OD+Cl] are directly measured, and a strong isotope effect (H/D) on the relative yields is found. The fine-structure branding ratios [Cl(2P1/2]/[Cl(2P3/2)] of the reaction products are also measured. The results suggest that nonadiabatic couplings take place at the exit channels of the reactions (1a) and (2a), while the reaction (3) is totally adiabatic.

Cylinder-averaged histories of nitrogen oxide in a DI diesel with simulated turbocharging

NASA Astrophysics Data System (ADS)

Donahue, Ronald J.; Borman, Gary L.; Bower, Glenn R.

1994-10-01

An experimental study was conducted using the dumping technique (total cylinder sampling) to produce cylinder mass-averaged nitric oxide histories. Data were taken using a four stroke diesel research engine employing a quiescent chamber, high pressure direct injection fuel system, and simulated turbocharging. Two fuels were used to determine fuel cetane number effects. Two loads were run, one at an equivalence ratio of 0.5 and the other at a ratio of 0.3. The engine speed was held constant at 1500 rpm. Under the turbocharged and retarded timing conditions of this study, nitric oxide was produced up to the point of about 85% mass burned. Two different models were used to simulate the engine mn conditions: the phenomenological Hiroyasu spray-combustion model, and the three dimensional, U.W.-ERO modified KIVA-2 computational fluid dynamic code. Both of the models predicted the correct nitric oxide trend. Although the modified KIVA-2 combustion model using Zeldovich kinetics correctly predicted the shapes of the nitric oxide histories, it did not predict the exhaust concentrations without arbitrary adjustment based on experimental values.

Convective drying kinetics of strawberry (Fragaria ananassa): Effects on antioxidant activity, anthocyanins and total phenolic content.

PubMed

Méndez-Lagunas, Lilia; Rodríguez-Ramírez, Juan; Cruz-Gracida, Marlene; Sandoval-Torres, Sadoth; Barriada-Bernal, Gerardo

2017-09-01

The thermal drying effects on strawberries were investigated in terms of the kinetics of antioxidant activity (AA), anthocyanins (A) and total phenolic compound content (TPC), as well as the final colour. The evaluated drying temperatures were 50 and 60°C with an air rate of 1.5m/s. The 2,2-diphenyl-2-picryl-hydrazyl, pH differential and Folin-Ciocalteu methods were used to assess the antioxidant properties. The kinetics of TPC and AA showed an initial and final period of degradation attributed to inhibition of enzymes. A plateau between these two periods suggests that under certain conditions of temperature and water content, no degradation reactions occurred. Final losses of up to 74, 45 and 78% were found for AA, A and TPC, respectively. The total colour change (ΔE) was lesser degree at 60 than 50°C. Thermal degradation of the antioxidant compounds followed a first-order reaction kinetics and the degradation rate constants (k) were calculated. Copyright © 2017 Elsevier Ltd. All rights reserved.

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multi-zone Reaction Kinetics: Model Derivation and Validation

NASA Astrophysics Data System (ADS)

Rout, Bapin Kumar; Brooks, Geoff; Rhamdhani, M. Akbar; Li, Zushu; Schrama, Frank N. H.; Sun, Jianjun

2018-04-01

A multi-zone kinetic model coupled with a dynamic slag generation model was developed for the simulation of hot metal and slag composition during the basic oxygen furnace (BOF) operation. The three reaction zones (i) jet impact zone, (ii) slag-bulk metal zone, (iii) slag-metal-gas emulsion zone were considered for the calculation of overall refining kinetics. In the rate equations, the transient rate parameters were mathematically described as a function of process variables. A micro and macroscopic rate calculation methodology (micro-kinetics and macro-kinetics) were developed to estimate the total refining contributed by the recirculating metal droplets through the slag-metal emulsion zone. The micro-kinetics involves developing the rate equation for individual droplets in the emulsion. The mathematical models for the size distribution of initial droplets, kinetics of simultaneous refining of elements, the residence time in the emulsion, and dynamic interfacial area change were established in the micro-kinetic model. In the macro-kinetics calculation, a droplet generation model was employed and the total amount of refining by emulsion was calculated by summing the refining from the entire population of returning droplets. A dynamic FetO generation model based on oxygen mass balance was developed and coupled with the multi-zone kinetic model. The effect of post-combustion on the evolution of slag and metal composition was investigated. The model was applied to a 200-ton top blowing converter and the simulated value of metal and slag was found to be in good agreement with the measured data. The post-combustion ratio was found to be an important factor in controlling FetO content in the slag and the kinetics of Mn and P in a BOF process.

Collisional excitation of interstellar methyl cyanide

NASA Technical Reports Server (NTRS)

Green, Sheldon

1986-01-01

Theoretical calculations are used to determine the collisional excitation rates of methyl cyanide under interstellar molecular cloud conditions. The required Q(L,M) as a function of kinetic temperature were determined by averaging fixed energy IOS (infinite order sudden) results over appropriate Boltzmann distributions of collision energies. At a kinetic temperature of 40 K, rates within a K ladder were found to be accurate to generally better than about 30 percent.

Separation of β-amyloid binding and white matter uptake of 18F-flutemetamol using spectral analysis

PubMed Central

Heurling, Kerstin; Buckley, Christopher; Vandenberghe, Rik; Laere, Koen Van; Lubberink, Mark

2015-01-01

The kinetic components of the β-amyloid ligand 18F-flutemetamol binding in grey and white matter were investigated through spectral analysis, and a method developed for creation of parametric images separating grey and white matter uptake. Tracer uptake in grey and white matter and cerebellar cortex was analyzed through spectral analysis in six subjects, with (n=4) or without (n=2) apparent β-amyloid deposition, having undergone dynamic 18F-flutemetamol scanning with arterial blood sampling. The spectra were divided into three components: slow, intermediate and fast basis function rates. The contribution of each of the components to total volume of distribution (VT) was assessed for different tissue types. The slow component dominated in white matter (average 90%), had a higher contribution to grey matter VT in subjects with β-amyloid deposition (average 44%) than without (average 6%) and was absent in cerebellar cortex, attributing the slow component of 18F-flutemetamol uptake in grey matter to β-amyloid binding. Parametric images of voxel-based spectral analysis were created for VT, the slow component and images segmented based on the slow component contribution; confirming that grey matter and white matter uptake can be discriminated on voxel-level using a threshold for the contribution from the slow component to VT. PMID:26550542

A Free-Energy Approach for All-Atom Protein Simulation

PubMed Central

Verma, Abhinav; Wenzel, Wolfgang

2009-01-01

All-atom free-energy methods offer a promising alternative to kinetic molecular mechanics simulations of protein folding and association. Here we report an accurate, transferable all-atom biophysical force field (PFF02) that stabilizes the native conformation of a wide range of proteins as the global optimum of the free-energy landscape. For 32 proteins of the ROSETTA decoy set and six proteins that we have previously folded with PFF01, we find near-native conformations with an average backbone RMSD of 2.14 Å to the native conformation and an average Z-score of −3.46 to the corresponding decoy set. We used nonequilibrium sampling techniques starting from completely extended conformations to exhaustively sample the energy surface of three nonhomologous hairpin-peptides, a three-stranded β-sheet, the all-helical 40 amino-acid HIV accessory protein, and a zinc-finger ββα motif, and find near-native conformations for the minimal energy for each protein. Using a massively parallel evolutionary algorithm, we also obtain a near-native low-energy conformation for the 54 amino-acid engrailed homeodomain. Our force field thus stabilized near-native conformations for a total of 20 proteins of all structure classes with an average RMSD of only 3.06 Å to their respective experimental conformations. PMID:19413955

A free-energy approach for all-atom protein simulation.

PubMed

Verma, Abhinav; Wenzel, Wolfgang

2009-05-06

All-atom free-energy methods offer a promising alternative to kinetic molecular mechanics simulations of protein folding and association. Here we report an accurate, transferable all-atom biophysical force field (PFF02) that stabilizes the native conformation of a wide range of proteins as the global optimum of the free-energy landscape. For 32 proteins of the ROSETTA decoy set and six proteins that we have previously folded with PFF01, we find near-native conformations with an average backbone RMSD of 2.14 A to the native conformation and an average Z-score of -3.46 to the corresponding decoy set. We used nonequilibrium sampling techniques starting from completely extended conformations to exhaustively sample the energy surface of three nonhomologous hairpin-peptides, a three-stranded beta-sheet, the all-helical 40 amino-acid HIV accessory protein, and a zinc-finger beta beta alpha motif, and find near-native conformations for the minimal energy for each protein. Using a massively parallel evolutionary algorithm, we also obtain a near-native low-energy conformation for the 54 amino-acid engrailed homeodomain. Our force field thus stabilized near-native conformations for a total of 20 proteins of all structure classes with an average RMSD of only 3.06 A to their respective experimental conformations.

Quantitative diffusion and swelling kinetic measurements using large-angle interferometric refractometry.

PubMed

Saunders, John E; Chen, Hao; Brauer, Chris; Clayton, McGregor; Chen, Weijian; Barnes, Jack A; Loock, Hans-Peter

2015-12-07

The uptake and release of sorbates into films and coatings is typically accompanied by changes of the films' refractive index and thickness. We provide a comprehensive model to calculate the concentration of the sorbate from the average refractive index and the film thickness, and validate the model experimentally. The mass fraction of the analyte partitioned into a film is described quantitatively by the Lorentz-Lorenz equation and the Clausius-Mosotti equation. To validate the model, the uptake kinetics of water and other solvents into SU-8 films (d = 40-45 μm) were explored. Large-angle interferometric refractometry measurements can be used to characterize films that are between 15 μm to 150 μm thick and, Fourier analysis, is used to determine independently the thickness, the average refractive index and the refractive index at the film-substrate interface at one-second time intervals. From these values the mass fraction of water in SU-8 was calculated. The kinetics were best described by two independent uptake processes having different rates. Each process followed one-dimensional Fickian diffusion kinetics with diffusion coefficients for water into SU-8 photoresist film of 5.67 × 10(-9) cm(2) s(-1) and 61.2 × 10(-9) cm(2) s(-1).

Comparative Studies of the Pyrolytic and Kinetic Characteristics of Maize Straw and the Seaweed Ulva pertusa

PubMed Central

Ye, Naihao; Li, Demao; Chen, Limei; Zhang, Xiaowen; Xu, Dong

2010-01-01

Seaweed has attracted considerable attention as a potential biofuel feedstock. The pyrolytic and kinetic characteristics of maize straw and the seaweed Ulva pertusa were studied and compared using heating rates of 10, 30 and 50°C min−1 under an inert atmosphere. The activation energy, and pre-exponential factors were calculated by the Flynn-Wall-Ozawa (FWO), Kissinger-Akahira-Sunose (KAS) and Popescu methods. The kinetic mechanism was deduced by the Popescu method. The results indicate that there are three stages to the pyrolysis; dehydration, primary devolatilization and residual decomposition. There were significant differences in average activation energy, thermal stability, final residuals and reaction rates between the two materials. The primary devolatilization stage of U. pertusa can be described by the Avramic-Erofeev equation (n = 3), whereas that of maize straw can be described by the Mampel Power Law (n = 2). The average activation energy of maize straw and U. pertusa were 153.0 and 148.7 KJ mol−1, respectively. The pyrolysis process of U.pertusa would be easier than maize straw. And co-firing of the two biomass may be require less external heat input and improve process stability. There were minor kinetic compensation effects between the pre-exponential factors and the activation energy. PMID:20844751

Kinetic study of anaerobic digestion of fruit-processing wastewater in immobilized-cell bioreactors.

PubMed

Borja, R; Banks, C J

1994-08-01

The kinetics of the anaerobic digestion of a fruit-processing wastewater [chemical oxygen demand (COD) = 5.1 g/l] were investigated. Laboratory experiments were carried out in bioreactors containing supports of different chemical composition and features, namely bentonite and zeolite (aluminum silicates), sepiolite and saponite (magnesium silicates) and polyurethane foam, to which the microorganisms responsible for the process adhered. The influence of the support medium on the kinetics was compared with a control digester with suspended biomass. Assuming the overall anaerobic digestion process conforms to first-order kinetics, the specific rate constant, K0, was determined for each of the experimental reactors. The average values obtained were: 0.080 h-1 (bentonite); 0.103 h-1 (zeolite); 0.180 h-1 (sepiolite); 0.198 h-1 (saponite); 0.131 h-1 (polyurethane); and 0.037 h-1 (control). The results indicate that the support used to immobilize the micro-organisms had a marked influence on the digestion process; the results were significant at the 95% confidence level. Methanogenic activity increased linearly with COD, with the saponite and sepiolite supports showing the highest values. The yield coefficient of methane was 270 ml of methane (under standard temperature and pressure conditions)/g of COD. The average elimination of COD was 89.5%.

Classical and quantum dynamics of a kicked relativistic particle in a box

NASA Astrophysics Data System (ADS)

Yusupov, J. R.; Otajanov, D. M.; Eshniyazov, V. E.; Matrasulov, D. U.

2018-03-01

We study classical and quantum dynamics of a kicked relativistic particle confined in a one dimensional box. It is found that in classical case for chaotic motion the average kinetic energy grows in time, while for mixed regime the growth is suppressed. However, in case of regular motion energy fluctuates around certain value. Quantum dynamics is treated by solving the time-dependent Dirac equation with delta-kicking potential, whose exact solution is obtained for single kicking period. In quantum case, depending on the values of the kicking parameters, the average kinetic energy can be quasi periodic, or fluctuating around some value. Particle transport is studied by considering spatio-temporal evolution of the Gaussian wave packet and by analyzing the trembling motion.

Effect of total solids content on methane and volatile fatty acid production in anaerobic digestion of food waste.

PubMed

Liotta, Flavia; d'Antonio, Giuseppe; Esposito, Giovanni; Fabbricino, Massimiliano; van Hullebusch, Eric D; Lens, Piet N L; Pirozzi, Francesco; Pontoni, Ludovico

2014-10-01

This work investigates the role of the moisture content on anaerobic digestion of food waste, as representative of rapidly biodegradable substrates, analysing the role of volatile fatty acid production on process kinetics. A range of total solids from 4.5% to 19.2% is considered in order to compare methane yields and kinetics of reactors operated under wet to dry conditions. The experimental results show a reduction of the specific final methane yield of 4.3% and 40.8% in semi-dry and dry conditions compared with wet conditions. A decreasing trend of the specific initial methane production rate is observed when increasing the total solids concentration. Because of lack of water, volatile fatty acids accumulation occurs during the first step of the process at semi-dry and dry conditions, which is considered to be responsible for the reduction of process kinetic rates. The total volatile fatty acids concentration and speciation are proposed as indicators of process development at different total solids content. © The Author(s) 2014.

Design Principles of DNA Enzyme-Based Walkers: Translocation Kinetics and Photoregulation.

PubMed

Cha, Tae-Gon; Pan, Jing; Chen, Haorong; Robinson, Heather N; Li, Xiang; Mao, Chengde; Choi, Jong Hyun

2015-07-29

Dynamic DNA enzyme-based walkers complete their stepwise movements along the prescribed track through a series of reactions, including hybridization, enzymatic cleavage, and strand displacement; however, their overall translocation kinetics is not well understood. Here, we perform mechanistic studies to elucidate several key parameters that govern the kinetics and processivity of DNA enzyme-based walkers. These parameters include DNA enzyme core type and structure, upper and lower recognition arm lengths, and divalent metal cation species and concentration. A theoretical model is developed within the framework of single-molecule kinetics to describe overall translocation kinetics as well as each reaction step. A better understanding of kinetics and design parameters enables us to demonstrate a walker movement near 5 μm at an average speed of ∼1 nm s(-1). We also show that the translocation kinetics of DNA walkers can be effectively controlled by external light stimuli using photoisomerizable azobenzene moieties. A 2-fold increase in the cleavage reaction is observed when the hairpin stems of enzyme catalytic cores are open under UV irradiation. This study provides general design guidelines to construct highly processive, autonomous DNA walker systems and to regulate their translocation kinetics, which would facilitate the development of functional DNA walkers.

Comprehensive overview of the Point-by-Point model of prompt emission in fission

NASA Astrophysics Data System (ADS)

Tudora, A.; Hambsch, F.-J.

2017-08-01

The investigation of prompt emission in fission is very important in understanding the fission process and to improve the quality of evaluated nuclear data required for new applications. In the last decade remarkable efforts were done for both the development of prompt emission models and the experimental investigation of the properties of fission fragments and the prompt neutrons and γ-ray emission. The accurate experimental data concerning the prompt neutron multiplicity as a function of fragment mass and total kinetic energy for 252Cf(SF) and 235 ( n, f) recently measured at JRC-Geel (as well as other various prompt emission data) allow a consistent and very detailed validation of the Point-by-Point (PbP) deterministic model of prompt emission. The PbP model results describe very well a large variety of experimental data starting from the multi-parametric matrices of prompt neutron multiplicity ν (A,TKE) and γ-ray energy E_{γ}(A,TKE) which validate the model itself, passing through different average prompt emission quantities as a function of A ( e.g., ν(A), E_{γ}(A), < ɛ > (A) etc.), as a function of TKE ( e.g., ν (TKE), E_{γ}(TKE)) up to the prompt neutron distribution P (ν) and the total average prompt neutron spectrum. The PbP model does not use free or adjustable parameters. To calculate the multi-parametric matrices it needs only data included in the reference input parameter library RIPL of IAEA. To provide average prompt emission quantities as a function of A, of TKE and total average quantities the multi-parametric matrices are averaged over reliable experimental fragment distributions. The PbP results are also in agreement with the results of the Monte Carlo prompt emission codes FIFRELIN, CGMF and FREYA. The good description of a large variety of experimental data proves the capability of the PbP model to be used in nuclear data evaluations and its reliability to predict prompt emission data for fissioning nuclei and incident energies for which the experimental information is completely missing. The PbP treatment can also provide input parameters of the improved Los Alamos model with non-equal residual temperature distributions recently reported by Madland and Kahler, especially for fissioning nuclei without any experimental information concerning the prompt emission.

Hydrodynamic Trails Produced by Daphnia: Size and Energetics

PubMed Central

Wickramarathna, Lalith N.; Noss, Christian; Lorke, Andreas

2014-01-01

This study focuses on quantifying hydrodynamic trails produced by freely swimming zooplankton. We combined volumetric tracking of swimming trajectories with planar observations of the flow field induced by Daphnia of different size and swimming in different patterns. Spatial extension of the planar flow field along the trajectories was used to interrogate the dimensions (length and volume) and energetics (dissipation rate of kinetic energy and total dissipated power) of the trails. Our findings demonstrate that neither swimming pattern nor size of the organisms affect the trail width or the dissipation rate. However, we found that the trail volume increases with increasing organism size and swimming velocity, more precisely the trail volume is proportional to the third power of Reynolds number. This increase furthermore results in significantly enhanced total dissipated power at higher Reynolds number. The biggest trail volume observed corresponds to about 500 times the body volume of the largest daphnids. Trail-averaged viscous dissipation rate of the swimming daphnids vary in the range of to and the observed magnitudes of total dissipated power between and , respectively. Among other zooplankton species, daphnids display the highest total dissipated power in their trails. These findings are discussed in the context of fluid mixing and transport by organisms swimming at intermediate Reynolds numbers. PMID:24671019

Kinetics of visual field loss in Usher syndrome Type II.

PubMed

Iannaccone, Alessandro; Kritchevsky, Stephen B; Ciccarelli, Maria Laura; Tedesco, Salvatore A; Macaluso, Claudio; Kimberling, William J; Somes, Grant W

2004-03-01

To characterize the kinetics of visual field decay in Usher syndrome type II. The area of 137 Goldmann visual fields (GVFs) delimited with the I4e and V4e targets was measured in each eye of 19 patients with an established diagnosis of Usher syndrome type II, and the average interocular GVF area for each patient at each time point was calculated. The average follow-up was 5.58 years. Symptomatic disease duration was defined as years elapsed after symptoms were first noted. The data set (n = 67 for the I4e target; n = 70 for the V4e target) was analyzed with a random coefficient mixed model to identify the best-fit model describing the decay of visual field size over time. The half-life of the residual visual field area (t(0.5)) was also calculated. The variable that best explained the decay of the GVF area was the duration of symptomatic disease. In an exponential model, the slope estimate for the natural log of the GVF area was -0.172 for the I4e target and -0.136 for the V4e target for each year of symptomatic disease. Accordingly, t(0.5) was approximately 4 years for the I4e target and 5 years for the V4e target. These estimates are very similar to those in previous studies of nonsyndromic retinitis pigmentosa (RP). This study suggests that the kinetics of GVF decline in Usher syndrome type II are, on average, very similar to other forms of RP and that, once the disease becomes symptomatic, GVF deterioration follows stereotyped kinetics, even in patients with late-onset retinal disease.

Inference of turbulence parameters from a ROMS simulation using the k-ε closure scheme

NASA Astrophysics Data System (ADS)

Thyng, Kristen M.; Riley, James J.; Thomson, Jim

2013-12-01

Comparisons between high resolution turbulence data from Admiralty Inlet, WA (USA), and a 65-meter horizontal grid resolution simulation using the hydrostatic ocean modelling code, Regional Ocean Modeling System (ROMS), show that the model's k-ε turbulence closure scheme performs reasonably well. Turbulent dissipation rates and Reynolds stresses agree within a factor of two, on average. Turbulent kinetic energy (TKE) also agrees within a factor of two, but only for motions within the observed inertial sub-range of frequencies (i.e., classic approximately isotropic turbulence). TKE spectra from the observations indicate that there is significant energy at lower frequencies than the inertial sub-range; these scales are not captured by the model closure scheme nor the model grid resolution. To account for scales not present in the model, the inertial sub-range is extrapolated to lower frequencies and then integrated to obtain an inferred, diagnostic total TKE, with improved agreement with the observed total TKE. The realistic behavior of the dissipation rate and Reynolds stress, combined with the adjusted total TKE, imply that ROMS simulations can be used to understand and predict spatial and temporal variations in turbulence. The results are suggested for application to siting tidal current turbines.

Stochastic kinetic mean field model

NASA Astrophysics Data System (ADS)

Erdélyi, Zoltán; Pasichnyy, Mykola; Bezpalchuk, Volodymyr; Tomán, János J.; Gajdics, Bence; Gusak, Andriy M.

2016-07-01

This paper introduces a new model for calculating the change in time of three-dimensional atomic configurations. The model is based on the kinetic mean field (KMF) approach, however we have transformed that model into a stochastic approach by introducing dynamic Langevin noise. The result is a stochastic kinetic mean field model (SKMF) which produces results similar to the lattice kinetic Monte Carlo (KMC). SKMF is, however, far more cost-effective and easier to implement the algorithm (open source program code is provided on http://skmf.eu website). We will show that the result of one SKMF run may correspond to the average of several KMC runs. The number of KMC runs is inversely proportional to the amplitude square of the noise in SKMF. This makes SKMF an ideal tool also for statistical purposes.

Turbulence kinetic energy equation for dilute suspensions

NASA Technical Reports Server (NTRS)

Abou-Arab, T. W.; Roco, M. C.

1989-01-01

A multiphase turbulence closure model is presented which employs one transport equation, namely the turbulence kinetic energy equation. The proposed form of this equation is different from the earlier formulations in some aspects. The power spectrum of the carrier fluid is divided into two regions, which interact in different ways and at different rates with the suspended particles as a function of the particle-eddy size ratio and density ratio. The length scale is described algebraically. A mass/time averaging procedure for the momentum and kinetic energy equations is adopted. The resulting turbulence correlations are modeled under less retrictive assumptions comparative to previous work. The closures for the momentum and kinetic energy equations are given. Comparisons of the predictions with experimental results on liquid-solid jet and gas-solid pipe flow show satisfactory agreement.

On the Boltzmann Equation with Stochastic Kinetic Transport: Global Existence of Renormalized Martingale Solutions

NASA Astrophysics Data System (ADS)

Punshon-Smith, Samuel; Smith, Scott

2018-02-01

This article studies the Cauchy problem for the Boltzmann equation with stochastic kinetic transport. Under a cut-off assumption on the collision kernel and a coloring hypothesis for the noise coefficients, we prove the global existence of renormalized (in the sense of DiPerna/Lions) martingale solutions to the Boltzmann equation for large initial data with finite mass, energy, and entropy. Our analysis includes a detailed study of weak martingale solutions to a class of linear stochastic kinetic equations. This study includes a criterion for renormalization, the weak closedness of the solution set, and tightness of velocity averages in {{L}1}.

Feasibility of using limited-population-based average R10 for pharmacokinetic modeling of osteosarcoma dynamic contrast-enhanced magnetic resonance imaging data.

PubMed

Huang, Wei; Wang, Ya; Panicek, David M; Schwartz, Lawrence H; Koutcher, Jason A

2009-07-01

Retrospective analyses of clinical dynamic contrast-enhanced (DCE) MRI studies may be limited by failure to measure the longitudinal relaxation rate constant (R(1)) initially, which is necessary for quantitative analysis. In addition, errors in R(1) estimation in each individual experiment can cause inconsistent results in derivations of pharmacokinetic parameters, K(trans) and v(e), by kinetic modeling of the DCE-MRI time course data. A total of 18 patients with lower extremity osteosarcomas underwent multislice DCE-MRI prior to surgery. For the individual R(1) measurement approach, the R(1) time course was obtained using the two-point R(1) determination method. For the average R(10) (precontrast R(1)) approach, the R(1) time course was derived using the DCE-MRI pulse sequence signal intensity equation and the average R(10) value of this population. The whole tumor and histogram median K(trans) (0.57+/-0.37 and 0.45+/-0.32 min(-1)) and v(e) (0.59+/-0.20 and 0.56+/-0.17) obtained with the individual R(1) measurement approach are not significantly different (paired t test) from those (K(trans): 0.61+/-0.46 and 0.44+/-0.33 min(-1); v(e): 0.61+/-0.19 and 0.55+/-0.14) obtained with the average R(10) approach. The results suggest that it is feasible, as well as practical, to use a limited-population-based average R(10) for pharmacokinetic modeling of osteosarcoma DCE-MRI data.

Element distributions after binary fission of /sup 44/Ti

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

Pl-dash-baraneta, R.; Belery, P.; Brzychczyk, J.

1986-08-01

Inclusive and coincidence measurements have been performed to study symmetric fragmentation of /sup 44/Ti binary decay from the /sup 32/S+/sup 12/C reaction at 280 MeV incident energy. Element distributions after binary decay were measured. Angular distributions and fragment correlations are presented. Total c.m. kinetic energy for the symmetric products is extracted from our data and from Monte-Carlo model calculations including Q-italic-value fluctuations. This result was compared to liquid drop model calculations and standard fission systematics. Comparison between the experimental value of the total kinetic energy and the rotating liquid-drop model predictions locates the angular momentum window for symmetric splitting ofmore » /sup 44/Ti between 33h-dash-bar and 38h-dash-bar. It also showed that 50% of the corresponding rotational energy contributes to the total kinetic energy values. The dominant reaction mechanism was found to be symmetric splitting followed by evaporation.« less

Fission fragment mass and total kinetic energy distributions of spontaneously fissioning plutonium isotopes

NASA Astrophysics Data System (ADS)

Pomorski, K.; Nerlo-Pomorska, B.; Bartel, J.; Schmitt, C.

2018-03-01

The fission-fragment mass and total kinetic energy (TKE) distributions are evaluated in a quantum mechanical framework using elongation, mass asymmetry, neck degree of freedom as the relevant collective parameters in the Fourier shape parametrization recently developed by us. The potential energy surfaces (PES) are calculated within the macroscopic-microscopic model based on the Lublin-Strasbourg Drop (LSD), the Yukawa-folded (YF) single-particle potential and a monopole pairing force. The PES are presented and analysed in detail for even-even Plutonium isotopes with A = 236-246. They reveal deep asymmetric valleys. The fission-fragment mass and TKE distributions are obtained from the ground state of a collective Hamiltonian computed within the Born-Oppenheimer approximation, in the WKB approach by introducing a neck-dependent fission probability. The calculated mass and total kinetic energy distributions are found in good agreement with the data.

Instabilities in a nonstationary model of self-gravitating disks. III. The phenomenon of lopsidedness and a comparison of perturbation modes

NASA Astrophysics Data System (ADS)

Mirtadjieva, K. T.; Nuritdinov, S. N.; Ruzibaev, J. K.; Khalid, Muhammad

2011-06-01

This is an examination of the gravitational instability of the major large-scale perturbation modes for a fixed value of the azimuthal wave number m = 1 in nonlinearly nonstationary disk models with isotropic and anisotropic velocity diagrams for the purpose of explaining the displacement of the nucleus away from the geometric center (lopsidedness) in spiral galaxies. Nonstationary analogs of the dispersion relations for these perturbation modes are obtained. Critical diagrams of the initial virial ratio are constructed from the rotation parameters for the models in each case. A comparative analysis is made of the instability growth rates for the major horizontal perturbation modes in terms of two models, and it is found that, on the average, the instability growth rate for the m = 1 mode with a radial wave number N = 3 almost always has a clear advantage relative to the other modes. An analysis of these results shows that if the initial total kinetic energy in an isotropic model is no more than 12.4% of the initial potential energy, then, regardless of the value of the rotation parameter Ω, an instability of the radial motions always occurs and causes the nucleus to shift away from the geometrical center. This instability is aperiodic when Ω = 0 and is oscillatory when Ω ≠ 0 . For the anisotropic model, this kind of structure involving the nucleus develops when the initial total kinetic energy in the model is no more than 30.6% of the initial potential energy.

Thermal decomposition and kinetics of coal and fermented cornstalk using thermogravimetric analysis.

PubMed

He, Yuyuan; Chang, Chun; Li, Pan; Han, Xiuli; Li, Hongliang; Fang, Shuqi; Chen, Junying; Ma, Xiaojian

2018-07-01

The thermal behavior and kinetics of Yiluo coal (YC) and the residues of fermented cornstalk (FC) were investigated in this study. The Kissinger-Akahira-Sunose (KAS) and Flynn-Wall-Ozawa (FWO) methods were used for the kinetic analysis of the pyrolysis process. The results showed that the activation energy (E α ) was increased with the increase of the thermal conversion rate (α), and the average values of E α of YC, FC and the blend (m YC /m FC  = 6/4) were 304.26, 224.94 and 233.46 kJ/mol, respectively. The order reaction model function for the blend was also developed by the master-plots method. By comparing the E a and the enthalpy, it was found that the blend was favored to format activated complex due to the lower potential energy barrier. Meanwhile, the average value of Gibbs free energy of the blend was 169.83 kJ/mol, and the changes of entropies indicated that the pyrolysis process was evolved from ordered-state to disordered-state. Copyright © 2018 Elsevier Ltd. All rights reserved.

Zinc isotope ratio imaging of rat brain thin sections from stable isotope tracer studies by LA-MC-ICP-MS.

PubMed

Urgast, Dagmar S; Hill, Sarah; Kwun, In-Sook; Beattie, John H; Goenaga-Infante, Heidi; Feldmann, Jörg

2012-10-01

Zinc stable isotope tracers (⁶⁷Zn and ⁷⁰Zn) were injected into rats at two different time points to investigate the feasibility of using tracers to study zinc kinetics at the microscale within distinct tissue features. Laser ablation coupled to multi-collector ICP-MS was used to analyse average isotope ratios in liver thin sections and to generate bio-images showing zinc isotope ratio distribution in brain thin sections. Average isotope ratios of all samples from treated animals were found to be statistically different (P < 0.05) from samples from untreated control animals. Furthermore, differing isotope ratios in physiological features of the brain, namely hippocampus, amygdala, cortex and hypothalamus, were identified. This indicates that these regions differ in their zinc metabolism kinetics. While cortex and hypothalamus contain more tracer two days after injection than 14 days after injection, the opposite is true for hippocampus and amygdala. This study showed that stable isotope tracer experiments can be combined with laser ablation MC-ICP-MS to measure trace element kinetics in tissues at a microscale level.

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

Wu, Fuke, E-mail: wufuke@mail.hust.edu.cn; Tian, Tianhai, E-mail: tianhai.tian@sci.monash.edu.au; Rawlings, James B., E-mail: james.rawlings@wisc.edu

The frequently used reduction technique is based on the chemical master equation for stochastic chemical kinetics with two-time scales, which yields the modified stochastic simulation algorithm (SSA). For the chemical reaction processes involving a large number of molecular species and reactions, the collection of slow reactions may still include a large number of molecular species and reactions. Consequently, the SSA is still computationally expensive. Because the chemical Langevin equations (CLEs) can effectively work for a large number of molecular species and reactions, this paper develops a reduction method based on the CLE by the stochastic averaging principle developed in themore » work of Khasminskii and Yin [SIAM J. Appl. Math. 56, 1766–1793 (1996); ibid. 56, 1794–1819 (1996)] to average out the fast-reacting variables. This reduction method leads to a limit averaging system, which is an approximation of the slow reactions. Because in the stochastic chemical kinetics, the CLE is seen as the approximation of the SSA, the limit averaging system can be treated as the approximation of the slow reactions. As an application, we examine the reduction of computation complexity for the gene regulatory networks with two-time scales driven by intrinsic noise. For linear and nonlinear protein production functions, the simulations show that the sample average (expectation) of the limit averaging system is close to that of the slow-reaction process based on the SSA. It demonstrates that the limit averaging system is an efficient approximation of the slow-reaction process in the sense of the weak convergence.« less

Using a Multi-Tier Diagnostic Test to Explore the Nature of Students' Alternative Conceptions on Reaction Kinetics

ERIC Educational Resources Information Center

Yan, Yaw Kai; Subramaniam, R.

2018-01-01

This study focused on grade 12 students' understanding of reaction kinetics. A 4-tier diagnostic instrument was developed for this purpose and administered to 137 students in the main study. Findings showed that reaction kinetics is a difficult topic for these students, with a total of 25 alternative conceptions (ACs) being uncovered. Except for…

Covalent bonds are created by the drive of electron waves to lower their kinetic energy through expansion

PubMed Central

Schmidt, Michael W.; Ivanic, Joseph; Ruedenberg, Klaus

2014-01-01

An analysis based on the variation principle shows that in the molecules H2+, H2, B2, C2, N2, O2, F2, covalent bonding is driven by the attenuation of the kinetic energy that results from the delocalization of the electronic wave function. For molecular geometries around the equilibrium distance, two features of the wave function contribute to this delocalization: (i) Superposition of atomic orbitals extends the electronic wave function from one atom to two or more atoms; (ii) intra-atomic contraction of the atomic orbitals further increases the inter-atomic delocalization. The inter-atomic kinetic energy lowering that (perhaps counter-intuitively) is a consequence of the intra-atomic contractions drives these contractions (which per se would increase the energy). Since the contractions necessarily encompass both, the intra-atomic kinetic and potential energy changes (which add to a positive total), the fact that the intra-atomic potential energy change renders the total potential binding energy negative does not alter the fact that it is the kinetic delocalization energy that drives the bond formation. PMID:24880263

Covalent bonds are created by the drive of electron waves to lower their kinetic energy through expansion.

PubMed

Schmidt, Michael W; Ivanic, Joseph; Ruedenberg, Klaus

2014-05-28

An analysis based on the variation principle shows that in the molecules H2 (+), H2, B2, C2, N2, O2, F2, covalent bonding is driven by the attenuation of the kinetic energy that results from the delocalization of the electronic wave function. For molecular geometries around the equilibrium distance, two features of the wave function contribute to this delocalization: (i) Superposition of atomic orbitals extends the electronic wave function from one atom to two or more atoms; (ii) intra-atomic contraction of the atomic orbitals further increases the inter-atomic delocalization. The inter-atomic kinetic energy lowering that (perhaps counter-intuitively) is a consequence of the intra-atomic contractions drives these contractions (which per se would increase the energy). Since the contractions necessarily encompass both, the intra-atomic kinetic and potential energy changes (which add to a positive total), the fact that the intra-atomic potential energy change renders the total potential binding energy negative does not alter the fact that it is the kinetic delocalization energy that drives the bond formation.

Exact solutions for kinetic models of macromolecular dynamics.

PubMed

Chemla, Yann R; Moffitt, Jeffrey R; Bustamante, Carlos

2008-05-15

Dynamic biological processes such as enzyme catalysis, molecular motor translocation, and protein and nucleic acid conformational dynamics are inherently stochastic processes. However, when such processes are studied on a nonsynchronized ensemble, the inherent fluctuations are lost, and only the average rate of the process can be measured. With the recent development of methods of single-molecule manipulation and detection, it is now possible to follow the progress of an individual molecule, measuring not just the average rate but the fluctuations in this rate as well. These fluctuations can provide a great deal of detail about the underlying kinetic cycle that governs the dynamical behavior of the system. However, extracting this information from experiments requires the ability to calculate the general properties of arbitrarily complex theoretical kinetic schemes. We present here a general technique that determines the exact analytical solution for the mean velocity and for measures of the fluctuations. We adopt a formalism based on the master equation and show how the probability density for the position of a molecular motor at a given time can be solved exactly in Fourier-Laplace space. With this analytic solution, we can then calculate the mean velocity and fluctuation-related parameters, such as the randomness parameter (a dimensionless ratio of the diffusion constant and the velocity) and the dwell time distributions, which fully characterize the fluctuations of the system, both commonly used kinetic parameters in single-molecule measurements. Furthermore, we show that this formalism allows calculation of these parameters for a much wider class of general kinetic models than demonstrated with previous methods.

Controlling Protein Conformation and Activities on Block-Copolymer Nanopatterns

DTIC Science & Technology

2013-10-24

adsorption: the need for large stick pads! Average area = 2.4±1.5x104 nm2 Average area = 7.9±4.7x104 nm2 ~14 nm2 ~56 nm2 ~350 nm2 Kinetic...Fluidity in multivalent interactions Pre-clustering - “ sweet spot” Dynamic- clustering Label free lipid bilayer arrays with SPR The dark area

Joint reconstruction of dynamic PET activity and kinetic parametric images using total variation constrained dictionary sparse coding

NASA Astrophysics Data System (ADS)

Yu, Haiqing; Chen, Shuhang; Chen, Yunmei; Liu, Huafeng

2017-05-01

Dynamic positron emission tomography (PET) is capable of providing both spatial and temporal information of radio tracers in vivo. In this paper, we present a novel joint estimation framework to reconstruct temporal sequences of dynamic PET images and the coefficients characterizing the system impulse response function, from which the associated parametric images of the system macro parameters for tracer kinetics can be estimated. The proposed algorithm, which combines statistical data measurement and tracer kinetic models, integrates a dictionary sparse coding (DSC) into a total variational minimization based algorithm for simultaneous reconstruction of the activity distribution and parametric map from measured emission sinograms. DSC, based on the compartmental theory, provides biologically meaningful regularization, and total variation regularization is incorporated to provide edge-preserving guidance. We rely on techniques from minimization algorithms (the alternating direction method of multipliers) to first generate the estimated activity distributions with sub-optimal kinetic parameter estimates, and then recover the parametric maps given these activity estimates. These coupled iterative steps are repeated as necessary until convergence. Experiments with synthetic, Monte Carlo generated data, and real patient data have been conducted, and the results are very promising.

Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation

NASA Astrophysics Data System (ADS)

Jung, Jaewoon; Kobayashi, Chigusa; Sugita, Yuji

2018-04-01

In molecular dynamics (MD) simulations, a proper definition of kinetic energy is essential for controlling pressure as well as temperature in the isothermal-isobaric condition. The virial theorem provides an equation that connects the average kinetic energy with the product of particle coordinate and force. In this paper, we show that the theorem is satisfied in MD simulations with a larger time step and holonomic constraints of bonds, only when a proper definition of kinetic energy is used. We provide a novel definition of kinetic energy, which is calculated from velocities at the half-time steps (t - Δt/2 and t + Δt/2) in the velocity Verlet integration method. MD simulations of a 1,2-dispalmitoyl-sn-phosphatidylcholine (DPPC) lipid bilayer and a water box using the kinetic energy definition could reproduce the physical properties in the isothermal-isobaric condition properly. We also develop a multiple time step (MTS) integration scheme with the kinetic energy definition. MD simulations with the MTS integration for the DPPC and water box systems provided the same quantities as the velocity Verlet integration method, even when the thermostat and barostat are updated less frequently.

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

PubMed

Jung, Jaewoon; Kobayashi, Chigusa; Sugita, Yuji

2018-04-28

In molecular dynamics (MD) simulations, a proper definition of kinetic energy is essential for controlling pressure as well as temperature in the isothermal-isobaric condition. The virial theorem provides an equation that connects the average kinetic energy with the product of particle coordinate and force. In this paper, we show that the theorem is satisfied in MD simulations with a larger time step and holonomic constraints of bonds, only when a proper definition of kinetic energy is used. We provide a novel definition of kinetic energy, which is calculated from velocities at the half-time steps (t - Δt/2 and t + Δt/2) in the velocity Verlet integration method. MD simulations of a 1,2-dispalmitoyl-sn-phosphatidylcholine (DPPC) lipid bilayer and a water box using the kinetic energy definition could reproduce the physical properties in the isothermal-isobaric condition properly. We also develop a multiple time step (MTS) integration scheme with the kinetic energy definition. MD simulations with the MTS integration for the DPPC and water box systems provided the same quantities as the velocity Verlet integration method, even when the thermostat and barostat are updated less frequently.

Controlling Release Kinetics of PLG Microspheres Using a Manufacturing Technique

NASA Astrophysics Data System (ADS)

Berchane, Nader

2005-11-01

Controlled drug delivery offers numerous advantages compared with conventional free dosage forms, in particular: improved efficacy and patient compliance. Emulsification is a widely used technique to entrap drugs in biodegradable microspheres for controlled drug delivery. The size of the formed microspheres has a significant influence on drug release kinetics. Despite the advantages of controlled drug delivery, previous attempts to achieve predetermined release rates have seen limited success. This study develops a tool to tailor desired release kinetics by combining microsphere batches of specified mean diameter and size distribution. A fluid mechanics based correlation that predicts the average size of Poly(Lactide-co-Glycolide) [PLG] microspheres from the manufacturing technique, is constructed and validated by comparison with experimental results. The microspheres produced are accurately represented by the Rosin-Rammler mathematical distribution function. A mathematical model is formulated that incorporates the microsphere distribution function to predict the release kinetics from mono-dispersed and poly-dispersed populations. Through this mathematical model, different release kinetics can be achieved by combining different sized populations in different ratios. The resulting design tool should prove useful for the pharmaceutical industry to achieve designer release kinetics.

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.

A Combined Study of Photospheric Magnetic and Current Helicities and Subsurface Kinetic Helicities of Solar Active Regions during 2006-2013

NASA Astrophysics Data System (ADS)

Seligman, D.; Petrie, G. J. D.; Komm, R.

2014-11-01

We compare the average photospheric current helicity Hc , photospheric twist parameter α (a well-known proxy for the full relative magnetic helicity), and subsurface kinetic helicity Hk for 194 active regions observed between 2006-2013. We use 2440 Hinode photospheric vector magnetograms, and the corresponding subsurface fluid velocity data derived from GONG (2006-2012) and Helioseismic and Magnetic Imager (2010-2013) dopplergrams. We find a significant hemispheric bias in all three parameters. The subsurface kinetic helicity is preferentially positive in the southern hemisphere and negative in the northern hemisphere. The photospheric current helicity and the α parameter have the same bias for strong fields (|B| > 1000 G) and no significant bias for weak fields (100 G <|B| < 500 G). We find no significant region-by-region correlation between the subsurface kinetic helicity and either the strong-field current helicity or α. Subsurface fluid motions of a given handedness correspond to photospheric helicities of both signs in approximately equal numbers. However, common variations appear in annual averages of these quantities over all regions. Furthermore, in a subset of 77 regions, we find significant correlations between the temporal profiles of the subsurface and photospheric helicities. In these cases, the sign of the linear correlation coefficient matches the sign relationship between the helicities, indicating that the photospheric magnetic field twist is sensitive to the twisting motions below the surface.

Applications of Brazilian pine-fruit shell in natural and carbonized forms as adsorbents to removal of methylene blue from aqueous solutions--kinetic and equilibrium study.

PubMed

Royer, Betina; Cardoso, Natali F; Lima, Eder C; Vaghetti, Julio C P; Simon, Nathalia M; Calvete, Tatiana; Veses, Renato Cataluña

2009-05-30

The Brazilian pine-fruit shell (Araucaria angustifolia) is a food residue, which was used in natural and carbonized forms, as low-cost adsorbents for the removal of methylene blue (MB) from aqueous solutions. Chemical treatment of Brazilian pine-fruit shell (PW), with sulfuric acid produced a non-activated carbonaceous material (C-PW). Both PW and C-PW were tested as low-cost adsorbents for the removal of MB from aqueous effluents. It was observed that C-PW leaded to a remarkable increase in the specific surface area, average porous volume, and average porous diameter of the adsorbent when compared to PW. The effects of shaking time, adsorbent dosage and pH on adsorption capacity were studied. In basic pH region (pH 8.5) the adsorption of MB was favorable. The contact time required to obtain the equilibrium was 6 and 4h at 25 degrees C, using PW and C-PW as adsorbents, respectively. Based on error function values (F(error)) the kinetic data were better fitted to fractionary-order kinetic model when compared to pseudo-first order, pseudo-second order, and chemisorption kinetic models. The equilibrium data were fitted to Langmuir, Freundlich, Sips and Redlich-Peterson isotherm models. For MB dye the equilibrium data were better fitted to the Sips isotherm model using PW and C-PW as adsorbents.

Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory

DOE PAGES

Mendl, Christian B.; Lu, Jianfeng; Lukkarinen, Jani

2016-12-02

We perform microscopic molecular dynamics simulations of particle chains with an onsite anharmonicity to study relaxation of spatially homogeneous states to equilibrium, and directly compare the simulations with the corresponding Boltzmann-Peierls kinetic theory. The Wigner function serves as a common interface between the microscopic and kinetic level. We demonstrate quantitative agreement after an initial transient time interval. In particular, besides energy conservation, we observe the additional quasiconservation of the phonon density, defined via an ensemble average of the related microscopic field variables and exactly conserved by the kinetic equations. On superkinetic time scales, density quasiconservation is lost while energy remainsmore » conserved, and we find evidence for eventual relaxation of the density to its canonical ensemble value. Furthermore, the precise mechanism remains unknown and is not captured by the Boltzmann-Peierls equations.« less

Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory

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

Mendl, Christian B.; Lu, Jianfeng; Lukkarinen, Jani

We perform microscopic molecular dynamics simulations of particle chains with an onsite anharmonicity to study relaxation of spatially homogeneous states to equilibrium, and directly compare the simulations with the corresponding Boltzmann-Peierls kinetic theory. The Wigner function serves as a common interface between the microscopic and kinetic level. We demonstrate quantitative agreement after an initial transient time interval. In particular, besides energy conservation, we observe the additional quasiconservation of the phonon density, defined via an ensemble average of the related microscopic field variables and exactly conserved by the kinetic equations. On superkinetic time scales, density quasiconservation is lost while energy remainsmore » conserved, and we find evidence for eventual relaxation of the density to its canonical ensemble value. Furthermore, the precise mechanism remains unknown and is not captured by the Boltzmann-Peierls equations.« less

Persistence of azoxystrobin in/on grapes and soil in different grapes growing areas of India.

PubMed

Gajbhiye, Vijay Tularam; Gupta, Suman; Mukherjee, Irani; Singh, Shashi Bala; Singh, Neera; Dureja, Prem; Kumar, Yogesh

2011-01-01

Persistence of azoxystrobin was studied in/on grapes when applied @ 150 g ai ha⁻¹ (recommended dose) and 300 g ai ha⁻¹ (double the recommended dose) in three grapes growing states of India, namely Karnataka, Maharashtra and Tamil Nadu, in the year 2006-2007. A total of five sprays were given at an interval of about 15 days. Grapes and soil samples were collected after 5th spray, extracted and analysed by gas chromatography using electron capture detector. Half life of azoxystrobin on grapes varied from 5.4 to 11.2 days. Residues of azoxystrobin were much below the prescribed MRL (0.5 mg kg⁻¹) after 21 days. The dissipation of azoxystrobin in soil followed first order rate kinetics with an average half life of 8.1 days at the recommended dose of application.

Intraparticle diffusion limitations in the hydrogenation of monounsaturated edible oils and their fatty acid methyl esters

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

Jonker, G.H.; Veldsink, J.W.; Beenackers, A.A.C.M.

1998-12-01

Intraparticle diffusion limitation in the hydrogenation and isomerization of fatty acid methyl esters (FAMEs) and edible oils (triacylglycerol, TAG) in porous nickel catalyst was investigated both under reactive and under inert conditions. Under reactive conditions, the diffusion coefficients were determined from the best fits of the model simulations applying the intrinsic reacting kinetics of monounsaturated FAME hydrogenation to experiments under diffusion limited conditions. Due to the absence of reaction (hydrogenation of double bonds), the obtained effective H{sub z} diffusion coefficient (D{sub e}) with the HPLC technique is volume averaged and thereby determined by the larger intercrystalline pores (<30% of themore » total pore volume) only. Moreover, D{sub e} measured under reaction conditions reflected the influence of the micropores, resulting in a 10-fold lower value.« less

Coliform bacteria removal from sewage in constructed wetlands planted with Mentha aquatica.

PubMed

Avelar, Fabiana F; de Matos, Antonio T; de Matos, Mateus P; Borges, Alisson C

2014-08-01

The present study evaluated the performance of the species Mentha aquatica in constructed wetlands of horizontal subsurface flow (CW-HSSF) with regard to the removal of coliforms bacteria in an effluent from the primary treatment of sewage as well as to obtain adjustment parameters of the bacterial decay kinetic model along the length of the CW-HSSF. Therefore, four CW-HSSFs measuring 24.0 m x 1.0 m x 0.35 m were built and filled with number 0 gravel as the support medium to a height of 0.20m. Two of the CW-HSSFs were planted with the species M. aquatica, while the other two remained uncultivated. Cultivation of M. aquatica in CW-HSSF resulted in total coliforms (TC) and Escherichia coli (EC) removals from 0.9 to 1.3 log units greater than those obtained in the uncultivated experimental plots, for the hydraulic retention times (HRTs) of 4.5 and 6.0 days. For HRT ranged from 1.5 to 6.0 days, the highest removal efficiencies in counts of TC and EC were obtained when using longer HRT. The mathematical models evaluated showed good fit to average counts of TC and EC highlighting the modified first-order kinetic model with the inclusion of the power parameter in the HRT variable.

Modeling the formation of TOCl, TOBr and TOI during chlor(am)ination of drinking water.

PubMed

Zhu, Xiaohu; Zhang, Xiangru

2016-06-01

The use of chlorine and chloramines in drinking water disinfection may produce innumerable halogenated disinfection byproducts (DBPs). Because of the impossibility of measuring the concentration and evaluating the toxicity of each individual halogenated DBP in a water sample, total organic halogen (TOX) as a collective parameter and a toxicity indicator for all the halogenated DBPs has been gaining popularity in recent years. TOX can be divided into total organic chlorine (TOCl), total organic bromine (TOBr), and total organic iodine (TOI). Previously, the authors' group studied the formation kinetics of TOCl and TOBr in chlor(am)ination using two models. In this study, we further explored the formation kinetics of TOI as well as TOCl and TOBr during chlor(am)ination by carefully selecting a series of iodine-related reactions and incorporating them into the two kinetic models. The models well predicted the levels of TOCl, TOBr, TOI, and total chlorine residual during chlorination and chloramination of simulated raw waters. According to the modeling results, 57.1-73.6% of the total generated iodinated DBPs in chlorination was converted to their chlorinated and brominated analogues by the substitution with hypochlorous acid and hypobromous acid; while in chloramination, with the presence of excessive monochloramine, the formed hypoiodous acid might react with monochloramine to form an iodine-substituted intermediate (proposed as chloroiodamine), which was responsible for 41.4-49.8% of the total generated iodinated DBPs, and meantime 51.9-52.6% of the total generated iodinated DBPs underwent deiodination via the base-catalyzed hydrolysis. The models were successfully applied in determining the lag time between the dosages of chlorine and ammonia, a challenging issue in chlorine-chloramine sequential treatment. This study provided important insights into kinetic reactions that control the formation of overall halogenated DBPs in chlor(am)ination. Copyright © 2016 Elsevier Ltd. All rights reserved.

Mathematical Modeling Reveals Kinetics of Lymphocyte Recirculation in the Whole Organism

PubMed Central

Ganusov, Vitaly V.; Auerbach, Jeremy

2014-01-01

The kinetics of recirculation of naive lymphocytes in the body has important implications for the speed at which local infections are detected and controlled by immune responses. With a help of a novel mathematical model, we analyze experimental data on migration of 51Cr-labeled thoracic duct lymphocytes (TDLs) via major lymphoid and nonlymphoid tissues of rats in the absence of systemic antigenic stimulation. We show that at any point of time, 95% of lymphocytes in the blood travel via capillaries in the lung or sinusoids of the liver and only 5% migrate to secondary lymphoid tissues such as lymph nodes, Peyer's patches, or the spleen. Interestingly, our analysis suggests that lymphocytes travel via lung capillaries and liver sinusoids at an extremely rapid rate with the average residence time in these tissues being less than 1 minute. The model also predicts a relatively short average residence time of TDLs in the spleen (2.5 hours) and a longer average residence time of TDLs in major lymph nodes and Peyer's patches (10 hours). Surprisingly, we find that the average residence time of lymphocytes is similar in lymph nodes draining the skin (subcutaneous LNs) or the gut (mesenteric LNs) or in Peyer's patches. Applying our model to an additional dataset on lymphocyte migration via resting and antigen-stimulated lymph nodes we find that enlargement of antigen-stimulated lymph nodes occurs mainly due to increased entrance rate of TDLs into the nodes and not due to decreased exit rate as has been suggested in some studies. Taken together, our analysis for the first time provides a comprehensive, systems view of recirculation kinetics of thoracic duct lymphocytes in the whole organism. PMID:24830705

Experimental Investigation of the Differences Between Reynolds-Averaged and Favre-Averaged Velocity in Supersonic Jets

NASA Technical Reports Server (NTRS)

Panda, J.; Seasholtz, R. G.

2005-01-01

Recent advancement in the molecular Rayleigh scattering based technique allowed for simultaneous measurement of velocity and density fluctuations with high sampling rates. The technique was used to investigate unheated high subsonic and supersonic fully expanded free jets in the Mach number range of 0.8 to 1.8. The difference between the Favre averaged and Reynolds averaged axial velocity and axial component of the turbulent kinetic energy is found to be small. Estimates based on the Morkovin's "Strong Reynolds Analogy" were found to provide lower values of turbulent density fluctuations than the measured data.

Averaging processes in granular flows driven by gravity

NASA Astrophysics Data System (ADS)

Rossi, Giulia; Armanini, Aronne

2016-04-01

One of the more promising theoretical frames to analyse the two-phase granular flows is offered by the similarity of their rheology with the kinetic theory of gases [1]. Granular flows can be considered a macroscopic equivalent of the molecular case: the collisions among molecules are compared to the collisions among grains at a macroscopic scale [2,3]. However there are important statistical differences in dealing with the two applications. In the two-phase fluid mechanics, there are two main types of average: the phasic average and the mass weighed average [4]. The kinetic theories assume that the size of atoms is so small, that the number of molecules in a control volume is infinite. With this assumption, the concentration (number of particles n) doesn't change during the averaging process and the two definitions of average coincide. This hypothesis is no more true in granular flows: contrary to gases, the dimension of a single particle becomes comparable to that of the control volume. For this reason, in a single realization the number of grain is constant and the two averages coincide; on the contrary, for more than one realization, n is no more constant and the two types of average lead to different results. Therefore, the ensamble average used in the standard kinetic theory (which usually is the phasic average) is suitable for the single realization, but not for several realization, as already pointed out in [5,6]. In the literature, three main length scales have been identified [7]: the smallest is the particles size, the intermediate consists in the local averaging (in order to describe some instability phenomena or secondary circulation) and the largest arises from phenomena such as large eddies in turbulence. Our aim is to solve the intermediate scale, by applying the mass weighted average, when dealing with more than one realizations. This statistical approach leads to additional diffusive terms in the continuity equation: starting from experimental results, we aim to define the scales governing the diffusive phenomenon, introducing the diffusive terms following the Boussinesq model. The diffusive coefficient will be experimentally defined; it will be probably proportional to the square root of the granular temperature θ and the diameter of the particles d or, alternatively, the flow height h. REFERENCES 1 Chapman S., Cowling T.G., 1971. Cambridge University Press, Cambridge, England. 2 Jenkins J.T., Savage S.B., 1983 J. Fluid.Mech., 130: 187-202 3 Savage S.B.,1984. J. Fluid.Mech., 24: 289-366 4 D.A.Drew, 1983. Annu. Rev. Fluid Mech. 15:261-291 5 I. Goldhirsch, 2003. Annu. Rev. Fluid Mech., 35:267-293. 6 I. Goldhirsch, 2008. Powder Technology, 182: 130-136. 7 T.J. Hsu, J.T. Jenkins, P.L. Liu 2004. Proc. Royal Soc.

High precision measurements on fission-fragment de-excitation

NASA Astrophysics Data System (ADS)

Oberstedt, Stephan; Gatera, Angélique; Geerts, Wouter; Göök, Alf; Hambsch, Franz-Josef; Vidali, Marzio; Oberstedt, Andreas

2017-11-01

In recent years nuclear fission has gained renewed interest both from the nuclear energy community and in basic science. The first, represented by the OECD Nuclear Energy Agency, expressed the need for more accurate fission cross-section and fragment yield data for safety assessments of Generation IV reactor systems. In basic science modelling made much progress in describing the de-excitation mechanism of neutron-rich isotopes, e.g. produced in nuclear fission. Benchmarking the different models require a precise experimental data on prompt fission neutron and γ-ray emission, e.g. multiplicity, average energy per particle and total dissipated energy per fission, preferably as function of fission-fragment mass and total kinetic energy. A collaboration of scientists from JRC Geel (formerly known as JRC IRMM) and other institutes took the lead in establishing a dedicated measurement programme on prompt fission neutron and γ-ray characteristics, which has triggered even more measurement activities around the world. This contribution presents new advanced instrumentation and methodology we use to generate high-precision spectral data and will give a flavour of future data needs and opportunities.

Numerical simulation of the kinetic effects in the solar wind

NASA Astrophysics Data System (ADS)

Sokolov, I.; Toth, G.; Gombosi, T. I.

2017-12-01

Global numerical simulations of the solar wind are usually based on the ideal or resistive MagnetoHydroDynamics (MHD) equations. Within a framework of MHD the electric field is assumed to vanish in the co-moving frame of reference (ideal MHD) or to obey a simple and non-physical scalar Ohm's law (resistive MHD). The Maxwellian distribution functions are assumed, the electron and ion temperatures may be different. Non-disversive MHD waves can be present in this numerical model. The averaged equations for MHD turbulence may be included as well as the energy and momentum exchange between the turbulent and regular motion. With the use of explicit numerical scheme, the time step is controlled by the MHD wave propagtion time across the numerical cell (the CFL condition) More refined approach includes the Hall effect vie the generalized Ohm's law. The Lorentz force acting on light electrons is assumed to vanish, which gives the expression for local electric field in terms of the total electric current, the ion current as well as the electron pressure gradient and magnetic field. The waves (whistlers, ion-cyclotron waves etc) aquire dispersion and the short-wavelength perturbations propagate with elevated speed thus strengthening the CFL condition. If the grid size is sufficiently small to resolve ion skindepth scale, then the timestep is much shorter than the ion gyration period. The next natural step is to use hybrid code to resolve the ion kinetic effects. The hybrid numerical scheme employs the same generalized Ohm's law as Hall MHD and suffers from the same constraint on the time step while solving evolution of the electromagnetic field. The important distiction, however, is that by sloving particle motion for ions we can achieve more detailed description of the kinetic effect without significant degrade in the computational efficiency, because the time-step is sufficient to resolve the particle gyration. We present the fisrt numerical results from coupled BATS-R-US+ALTOR code as applied to kinetic simulations of the solar wind.

Proof-of-concept study on the suitability of 13C-urea as a marker substance for assessment of in vivo behaviour of oral colon-targeted dosage forms

PubMed Central

Schellekens, RCA; Olsder, GG; Langenberg, SMCH; Boer, T; Woerdenbag, HJ; Frijlink, HW; Kosterink, JGW; Stellaard, F

2009-01-01

Background and purpose: 13C-urea may be a suitable marker to assess the in vivo fate of colon-targeted dosage forms given by mouth. We postulated that release in the colon (urease-rich segment) of 13C-urea from colon-targeted capsules would lead to fermentation of 13C-urea by bacterial ureases into 13CO2. Subsequent absorption into the blood and circulation would lead to detectable 13C (as 13CO2) in breath. If, however, release of 13C-urea occurred in the small intestine (urease-poor segment), we expected detectable 13C (as 13C-urea) in blood but no breath 13C (as 13CO2). The differential kinetics of 13C-urea could thus potentially describe both release kinetics and indicate the gastrointestinal segment of release. Experimental approach: The in vivo study consisted of three experiments, during which the same group of four volunteers participated. Key results: The kinetic model was internally valid. The appearance of 13C-in breath CO2 (Ffermented) and the appearance of 13C in blood as 13C-urea (Fnot fermented) show a high inverse correlation (Pearson's r=−0.981, P= 0.06). The total recovery of 13C (Ffermented+Fnot fermented) averaged 99%, indicating complete recovery of the administered 13C via breath and blood. 13CO2 exhalation was observed in all subjects. This indicates that 13C-urea was available in urease-rich segments, such as the caecum or colon. Conclusions and implications: In this proof-of-concept study, 13C-urea was able to provide information on both the release kinetics of a colon-targeted oral dosage form and the gastrointestinal segment where it was released. PMID:19732063

Kinetic response of ionospheric ions to onset of auroral electric fields

NASA Technical Reports Server (NTRS)

Chiu, Y. T.; Kan, J. R.

1981-01-01

By examining the exact analytic solution of a kinetic model of collisional interaction of ionospheric ions with atmospheric neutrals in the Bhatnagar-Gross-Krook approximation, we show that the onset of intense auroral electric fields in the topside ionosphere can produce the following kinetic effects: (1) heat the bulk ionospheric ions to approximately 2 eV, thus driving them up to higher altitudes where they can be subjected to collisionless plasma processes; (2) produce a non-Maxwellian superthermal tail in the distribution function; and (3) cause the ion distribution function to be anisotropic with respect to the magnetic field with the perpendicular average thermal energy exceeding the parallel thermal energy.

Kinetic response of ionospheric ions to onset of auroral electric fields

NASA Technical Reports Server (NTRS)

Chiu, Y. T.; Kan, J. R.

1981-01-01

Examination of the exact analytic solution of a kinetic model of collisional interaction of ionospheric fions with atmospheric neutrals in the Bhatnagar-Gross-Krook approximation, shows that the onset of intense auroral electric fields in the topside ionosphere can produce the following kinetic effects: (1) heat the bulk ionospheric ions to approximately 2 eV, thus driving them up to higher altitudes where they can be subjected to collisionless plasma processes; (2) produce a nonMaxwellian superthermal tail in the distribution function; and (3) cause the ion distribution function to be anisotropic with respect to the magnetic field with the perpendicular average thermal energy exceeding the parallel thermal energy.

Unusual energy properties of leaky backward Lamb waves in a submerged plate.

PubMed

Nedospasov, I A; Mozhaev, V G; Kuznetsova, I E

2017-05-01

It is found that leaky backward Lamb waves, i.e. waves with negative energy-flux velocity, propagating in a plate submerged in a liquid possess extraordinary energy properties distinguishing them from any other type of waves in isotropic media. Namely, the total time-averaged energy flux along the waveguide axis is equal to zero for these waves due to opposite directions of the longitudinal energy fluxes in the adjacent media. This property gives rise to the fundamental question of how to define and calculate correctly the energy velocity in such an unusual case. The procedure of calculation based on incomplete integration of the energy flux density over the plate thickness alone is applied. The derivative of the angular frequency with respect to the wave vector, usually referred to as the group velocity, happens to be close to the energy velocity defined by this mean in that part of the frequency range where the backward mode exists in the free plate. The existence region of the backward mode is formally increased for the submerged plate in comparison to the free plate as a result of the liquid-induced hybridization of propagating and nonpropagating (evanescent) Lamb modes. It is shown that the Rayleigh's principle (i.e. equipartition of total time-averaged kinetic and potential energies for time-harmonic acoustic fields) is violated due to the leakage of Lamb waves, in spite of considering nondissipative media. Copyright © 2017 Elsevier B.V. All rights reserved.

Multielectron, multisubstrate molecular catalysis of electrochemical reactions: Formal kinetic analysis in the total catalysis regime.

PubMed

Costentin, Cyrille; Nocera, Daniel G; Brodsky, Casey N

2017-10-24

Cyclic voltammetry responses are derived for two-electron, two-step homogeneous electrocatalytic reactions in the total catalysis regime. The models developed provide a framework for extracting kinetic information from cyclic voltammograms (CVs) obtained in conditions under which the substrate or cosubstrate is consumed in a multielectron redox process, as is particularly prevalent for very active catalysts that promote energy conversion reactions. Such determination of rate constants in the total catalysis regime is a prerequisite for the rational benchmarking of molecular electrocatalysts that promote multielectron conversions of small-molecule reactants. The present analysis is illustrated with experimental systems encompassing various limiting behaviors.

Observational Properties of Coronal Mass Ejections

DTIC Science & Technology

2006-01-01

speeds 2.5. Masses and Energies of CMEs exceeded 2000 km s-1; the fastest CME speed measured thus far was 2657 km s-1 on 4 November 2000. When compiled The...accelerated. The average deceleration of the fastest (> 900 km s-1) The CME kinetic energies can also be calculated from the CME group is -16 m s-2...OBSERVATIONAL PROPERTIES OF CORONAL MASS EJECTIONS 15 *"...... .. ’..’... ... ’...... kinetic energy is 2.4 x 1030 ergs (5.0 x 1029 ergs) [Vourlidas, 2004

Budget of Turbulent Kinetic Energy in a Shock Wave Boundary-Layer Interaction

NASA Technical Reports Server (NTRS)

Vyas, Manan; Waindim, Mbu; Gaitonde, Datta

2016-01-01

Implicit large-eddy simulation (ILES) of a shock wave boundary-layer interaction (SBLI) was performed. Quantities present in the exact equation of the turbulent kinetic energy (TKE) transport were accumulated. These quantities will be used to calculate the components of TKE-like production, dissipation, transport, and dilatation. Correlations of these terms will be presented to study the growth and interaction between various terms. A comparison with its RANS (Reynolds-Averaged Navier-Stokes) counterpart will also be presented.

Fog at the Guarulhos International Airport from 1951 to 2015

NASA Astrophysics Data System (ADS)

França, Gutemberg Borges; do Carmo, Luiz Felipe Rodrigues; de Almeida, Manoel Valdonel; Albuquerque Neto, Francisco Leite

2018-02-01

This paper presents and discusses the fog occurrences before and after the construction of the Guarulhos International Airport, using data from 1951 to 2015. The analysis showed the following: (1) a total of 19,816 h of fog were registered. (2) The minimum average, mean and maximum average of the fog temperature had significantly increased after the airport was constructed from 1.2 to 6.9, 12.1 to 14.5 and 20.2 to 20.7 °C, respectively, due to the urban development around the airport during the study period. (3) The average fog hours per year decreased by approximately 73.1%, i.e., from 492 ± 84.45 to 132 ± 54.51 h per year. (4) Most of the fog events occurred due to longwave cooling on clear nights with relatively low wind speeds (characterizing radiation fog), with over 65% having duration of 2 h and occurring in the early hours of the day during March-September period. (5) The maximum probability of fog occurrence dropped about 10% from before to after the construction of the airport. Finally, two fog events are investigated using data collected during the fog evolution using atmospheric sounding profiles (from an acoustic sounder) and automatic meteorological stations and preliminary results showed that the values of cooling rate and turbulent kinetic energy play key roles in the onset and growth-dissipation phases of the fog, respectively.

Drift turbulence, particle transport, and anomalous dissipation at the reconnecting magnetopause

NASA Astrophysics Data System (ADS)

Le, A.; Daughton, W.; Ohia, O.; Chen, L.-J.; Liu, Y.-H.; Wang, S.; Nystrom, W. D.; Bird, R.

2018-06-01

Using fully kinetic 3D simulations, the reconnection dynamics of asymmetric current sheets are examined at the Earth's magnetopause. The plasma parameters are selected to model MMS magnetopause diffusion region crossings with guide fields of 0.1, 0.4, and 1 of the reconnecting magnetosheath field. In each case, strong drift-wave fluctuations are observed in the lower-hybrid frequency range at the steep density gradient across the magnetospheric separatrix. These fluctuations give rise to cross-field electron particle transport. In addition, this turbulent mixing leads to significantly enhanced electron parallel heating in comparison to 2D simulations. We study three different methods of quantifying the anomalous dissipation produced by the drift fluctuations, based on spatial averaging, temporal averaging, and temporal averaging followed by integrating along magnetic field lines. A comparison of different methods reveals complications in identifying and measuring the anomalous dissipation. Nevertheless, the anomalous dissipation from short wavelength drift fluctuations appears weak for each case, and the reconnection rates observed in 3D are nearly the same as in 2D models. The 3D simulations feature a number of interesting new features that are consistent with recent MMS observations, including cold beams of magnetosheath electrons that penetrate into the hotter magnetospheric inflow, the related observation of decreasing temperature in regions of increasing total density, and an effective turbulent diffusion coefficient that agrees with predictions from quasi-linear theory.

Kinetic modeling of the light-dependent photosynthetic activity of the green microalga Chlorella vulgaris.

PubMed

Yun, Yeoung-Sang; Park, Jong Moon

2003-08-05

Light-dependent photosynthesis of Chlorella vulgaris was investigated by using a novel photosynthesis measurement system that could cover wide ranges of incident light and cell density and reproduce accurate readings. Various photosynthesis models, which have been reported elsewhere, were classified and/or reformulated based upon the underlying hypotheses of the light dependence of the algal photosynthesis. Four types of models were derived, which contained distinct light-related variables such as the average or local photon flux density (APFD or LPFD) and the average or local photon absorption rate (APAR or LPAR). According to our experimental results, the LPFD and LPAR models could predict the experimental data more accurately although the APFD and APAR models have been widely used for the kinetic study of microalgal photosynthesis. Copyright 2003 Wiley Periodicals, Inc. Biotechnol Bioeng 83: 303-311, 2003.

Effect of concentration dependence of the diffusion coefficient on homogenization kinetics in multiphase binary alloy systems

NASA Technical Reports Server (NTRS)

Tenney, D. R.; Unnam, J.

1978-01-01

Diffusion calculations were performed to establish the conditions under which concentration dependence of the diffusion coefficient was important in single, two, and three phase binary alloy systems. Finite-difference solutions were obtained for each type of system using diffusion coefficient variations typical of those observed in real alloy systems. Solutions were also obtained using average diffusion coefficients determined by taking a logarithmic average of each diffusion coefficient variation considered. The constant diffusion coefficient solutions were used as reference in assessing diffusion coefficient variation effects. Calculations were performed for planar, cylindrical, and spherical geometries in order to compare the effect of diffusion coefficient variations with the effect of interface geometries. In most of the cases considered, the diffusion coefficient of the major-alloy phase was the key parameter that controlled the kinetics of interdiffusion.

Kinetic improvement of olive leaves' bioactive compounds extraction by using power ultrasound in a wide temperature range.

PubMed

Khemakhem, Ibtihel; Ahmad-Qasem, Margarita Hussam; Catalán, Enrique Barrajón; Micol, Vicente; García-Pérez, Jose Vicente; Ayadi, Mohamed Ali; Bouaziz, Mohamed

2017-01-01

In this study, the effect of temperature and ultrasonic application on extraction kinetics of polyphenols from dried olive leaf was investigated. Conventional (CVE) and ultrasonic-assisted extraction (UAE) were performed at 10, 20, 30, 50 and 70°C using water as solvent. Extracts were characterized by measuring the total phenolic content, the antioxidant capacity and the oleuropein content (HPLC-DAD/MS-MS). Moreover, Naik's model was used to mathematically describe the extraction kinetics. The experimental results showed that phenolic extraction was faster in UAE (ultrasonic-assisted extraction) than in CVE (conventional extraction), being extraction kinetics satisfactorily described using Naik model (include VAR>98%). Besides, the total phenolic content, the antioxidant capacity and the oleuropein content were significantly (p<0.05) improved by increasing the temperature in both CVE and UAE. Oleuropein content reached 6.57±0.18 being extracted approximately 88% in the first minute for UAE experiments. Copyright © 2016 Elsevier B.V. All rights reserved.

Kinetics for the distribution of acrylamide in French fries, fried oil and vapour during frying of potatoes.

PubMed

Hsu, Hui-Tsung; Chen, Ming-Jen; Tseng, Tzu-Ping; Cheng, Li-Hsin; Huang, Li-Jen; Yeh, Tai-Sheng

2016-11-15

Kinetic analysis for the formation of acrylamide in heated foods has been typically performed using only measured data of acrylamide in foods; however, its possible loss caused by release from heated foods into fried oil and air has seldom been considered. The results obtained from the monitoring of acrylamide by frying French fries indicated that acrylamide is distributed in three phases: French fries, frying oil, and air. From the evolved gas analysis of acrylamide and the measured concentration profile of the total acrylamide amount present in these phases, the kinetic behaviour for acrylamide formation does not obey the commonly used model of two-step consecutive reactions during frying, while a lumped kinetic model was proposed for the total acrylamide amount. Moreover, a high acrylamide level in air was observed, implying that, apart from consumers of French fries, fast-food restaurant workers are potentially subject to occupational hazards from acrylamide inhalation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Global Kinetic Constants for Thermal Oxidative Degradation of a Cellulosic Paper

NASA Technical Reports Server (NTRS)

Kashiwagi, Takashi; Nambu, Hidesaburo

1992-01-01

Values of global kinetic constants for pyrolysis, thermal oxidative degradation, and char oxidation of a cellulosic paper were determined by a derivative thermal gravimetric study. The study was conducted at heating rates of 0.5, 1, 1.5, 3, and 5 C/min in ambient atmospheres of nitrogen, 0.28, 1.08, 5.2 percent oxygen concentrations, and air. Sample weight loss rate, concentrations of CO, CO2, and H2O in the degradation products, and oxygen consumption were continuously measured during the experiment. Values of activation energy, preexponential factor, orders of reaction, and yields of CO, CO2, H2O, total hydrocarbons, and char for each degradation reaction were derived from the results. Heat of reaction for each reaction was determined by differential scanning calorimetry. A comparison of the calculated CO, CO2, H2O, total hydrocarbons, sample weight loss rate, and oxygen consumption was made with the measured results using the derived kinetic constants, and the accuracy of the values of kinetic constants was discussed.

Mirrored continuum and molecular scale simulations of the ignition of high-pressure phases of RDX

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

Lee, Kibaek; Stewart, D. Scott, E-mail: santc@illinois.edu, E-mail: dss@illinois.edu; Joshi, Kaushik

2016-05-14

We present a mirrored atomistic and continuum framework that is used to describe the ignition of energetic materials, and a high-pressure phase of RDX in particular. The continuum formulation uses meaningful averages of thermodynamic properties obtained from the atomistic simulation and a simplification of enormously complex reaction kinetics. In particular, components are identified based on molecular weight bin averages and our methodology assumes that both the averaged atomistic and continuum simulations are represented on the same time and length scales. The atomistic simulations of thermally initiated ignition of RDX are performed using reactive molecular dynamics (RMD). The continuum model ismore » based on multi-component thermodynamics and uses a kinetics scheme that describes observed chemical changes of the averaged atomistic simulations. Thus the mirrored continuum simulations mimic the rapid change in pressure, temperature, and average molecular weight of species in the reactive mixture. This mirroring enables a new technique to simplify the chemistry obtained from reactive MD simulations while retaining the observed features and spatial and temporal scales from both the RMD and continuum model. The primary benefit of this approach is a potentially powerful, but familiar way to interpret the atomistic simulations and understand the chemical events and reaction rates. The approach is quite general and thus can provide a way to model chemistry based on atomistic simulations and extend the reach of those simulations.« less

Phytochemicals content and antioxidant properties of sea buckthorn (Hippophae rhamnoides L.) as affected by heat treatment - Quantitative spectroscopic and kinetic approaches.

PubMed

Ursache, Florentina-Mihaela; Ghinea, Ioana Otilia; Turturică, Mihaela; Aprodu, Iuliana; Râpeanu, Gabriela; Stănciuc, Nicoleta

2017-10-15

The effect of thermal processing (50-100°C) on the degradation of the phytochemicals in sea buckthorn extract was investigated using chromatographic, fluorescence and FT-IR spectroscopy techniques and degradation kinetics. Heating the sea buckthorn extract resulted in structural changes that led to red- or blue-shifts in maximum emission, depending on temperature and excitation wavelengths. The attenuated total reflectance analysis of the sea buckthorn extract revealed a satisfactory thermostability of compounds at high temperatures. A fractional conversion kinetic model was used to describe the mechanism of degradation in terms of rate and activation energy. Activation energies for total carotenoids, polyphenolic, flavonoids, and antioxidant activity were 8.45±0.93kJ/mol, 2.50±0.66kJ/mol, 22.50±7.26kJ/mol and 15.22±2.75kJ/mol, respectively. The kinetic parameters evidence a higher thermal stability of carotenoids and polyphenols, suggesting higher degradation rates for flavonoids and antioxidant activity. Our results demonstrate that industrial process optimization in terms of time-temperature combinations demands product specific kinetic data. Copyright © 2017 Elsevier Ltd. All rights reserved.

Kinetic modelling for zinc (II) ions biosorption onto Luffa cylindrica

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

Oboh, I., E-mail: innocentoboh@uniuyo.edu.ng; Aluyor, E.; Audu, T.

The biosorption of Zinc (II) ions onto a biomaterial - Luffa cylindrica has been studied. This biomaterial was characterized by elemental analysis, surface area, pore size distribution, scanning electron microscopy, and the biomaterial before and after sorption, was characterized by Fourier Transform Infra Red (FTIR) spectrometer. The kinetic nonlinear models fitted were Pseudo-first order, Pseudo-second order and Intra-particle diffusion. A comparison of non-linear regression method in selecting the kinetic model was made. Four error functions, namely coefficient of determination (R{sup 2}), hybrid fractional error function (HYBRID), average relative error (ARE), and sum of the errors squared (ERRSQ), were used tomore » predict the parameters of the kinetic models. The strength of this study is that a biomaterial with wide distribution particularly in the tropical world and which occurs as waste material could be put into effective utilization as a biosorbent to address a crucial environmental problem.« less

Effects of relaxation of gluten network on rehydration kinetics of pasta.

PubMed

Ogawa, Takenobu; Hasegawa, Ayako; Adachi, Shuji

2014-01-01

The aim of this study was to investigate the effects of the relaxation of the gluten network on pasta rehydration kinetics. The moisture content of pasta, under conditions where the effects of the diffusion of water on the moisture content were negligible, was estimated by extrapolating the average moisture content of pasta of various diameters to 0 mm. The moisture content of imaginary, infinitely thin pasta did not reach equilibrium even after 1 h of rehydration. The rehydration of pasta made of only gluten was also measured. The rate constants estimated by the Long and Richman equation for both the pasta indicated that the rehydration kinetics of infinitely thin pasta were similar to those of gluten pasta. These results suggest that the swelling of starch by fast gelatinization was restricted by the honeycomb structural network of gluten and the relaxation of the gluten network controlled pasta rehydration kinetics.

Kinetic modelling for zinc (II) ions biosorption onto Luffa cylindrica

NASA Astrophysics Data System (ADS)

Oboh, I.; Aluyor, E.; Audu, T.

2015-03-01

The biosorption of Zinc (II) ions onto a biomaterial - Luffa cylindrica has been studied. This biomaterial was characterized by elemental analysis, surface area, pore size distribution, scanning electron microscopy, and the biomaterial before and after sorption, was characterized by Fourier Transform Infra Red (FTIR) spectrometer. The kinetic nonlinear models fitted were Pseudo-first order, Pseudo-second order and Intra-particle diffusion. A comparison of non-linear regression method in selecting the kinetic model was made. Four error functions, namely coefficient of determination (R2), hybrid fractional error function (HYBRID), average relative error (ARE), and sum of the errors squared (ERRSQ), were used to predict the parameters of the kinetic models. The strength of this study is that a biomaterial with wide distribution particularly in the tropical world and which occurs as waste material could be put into effective utilization as a biosorbent to address a crucial environmental problem.

Influence of atomic kinetics in the simulation of plasma microscopic properties and thermal instabilities for radiative bow shock experiments.

PubMed

Espinosa, G; Rodríguez, R; Gil, J M; Suzuki-Vidal, F; Lebedev, S V; Ciardi, A; Rubiano, J G; Martel, P

2017-03-01

Numerical simulations of laboratory astrophysics experiments on plasma flows require plasma microscopic properties that are obtained by means of an atomic kinetic model. This fact implies a careful choice of the most suitable model for the experiment under analysis. Otherwise, the calculations could lead to inaccurate results and inappropriate conclusions. First, a study of the validity of the local thermodynamic equilibrium in the calculation of the average ionization, mean radiative properties, and cooling times of argon plasmas in a range of plasma conditions of interest in laboratory astrophysics experiments on radiative shocks is performed in this work. In the second part, we have made an analysis of the influence of the atomic kinetic model used to calculate plasma microscopic properties of experiments carried out on magpie on radiative bow shocks propagating in argon. The models considered were developed assuming both local and nonlocal thermodynamic equilibrium and, for the latter situation, we have considered in the kinetic model different effects such as external radiation field and plasma mixture. The microscopic properties studied were the average ionization, the charge state distributions, the monochromatic opacities and emissivities, the Planck mean opacity, and the radiative power loss. The microscopic study was made as a postprocess of a radiative-hydrodynamic simulation of the experiment. We have also performed a theoretical analysis of the influence of these atomic kinetic models in the criteria for the onset possibility of thermal instabilities due to radiative cooling in those experiments in which small structures were experimentally observed in the bow shock that could be due to this kind of instability.

Influence of atomic kinetics in the simulation of plasma microscopic properties and thermal instabilities for radiative bow shock experiments

NASA Astrophysics Data System (ADS)

Espinosa, G.; Rodríguez, R.; Gil, J. M.; Suzuki-Vidal, F.; Lebedev, S. V.; Ciardi, A.; Rubiano, J. G.; Martel, P.

2017-03-01

Numerical simulations of laboratory astrophysics experiments on plasma flows require plasma microscopic properties that are obtained by means of an atomic kinetic model. This fact implies a careful choice of the most suitable model for the experiment under analysis. Otherwise, the calculations could lead to inaccurate results and inappropriate conclusions. First, a study of the validity of the local thermodynamic equilibrium in the calculation of the average ionization, mean radiative properties, and cooling times of argon plasmas in a range of plasma conditions of interest in laboratory astrophysics experiments on radiative shocks is performed in this work. In the second part, we have made an analysis of the influence of the atomic kinetic model used to calculate plasma microscopic properties of experiments carried out on magpie on radiative bow shocks propagating in argon. The models considered were developed assuming both local and nonlocal thermodynamic equilibrium and, for the latter situation, we have considered in the kinetic model different effects such as external radiation field and plasma mixture. The microscopic properties studied were the average ionization, the charge state distributions, the monochromatic opacities and emissivities, the Planck mean opacity, and the radiative power loss. The microscopic study was made as a postprocess of a radiative-hydrodynamic simulation of the experiment. We have also performed a theoretical analysis of the influence of these atomic kinetic models in the criteria for the onset possibility of thermal instabilities due to radiative cooling in those experiments in which small structures were experimentally observed in the bow shock that could be due to this kind of instability.

Hydrodynamic trails produced by Daphnia: size and energetics.

PubMed

Wickramarathna, Lalith N; Noss, Christian; Lorke, Andreas

2014-01-01

This study focuses on quantifying hydrodynamic trails produced by freely swimming zooplankton. We combined volumetric tracking of swimming trajectories with planar observations of the flow field induced by Daphnia of different size and swimming in different patterns. Spatial extension of the planar flow field along the trajectories was used to interrogate the dimensions (length and volume) and energetics (dissipation rate of kinetic energy and total dissipated power) of the trails. Our findings demonstrate that neither swimming pattern nor size of the organisms affect the trail width or the dissipation rate. However, we found that the trail volume increases with increasing organism size and swimming velocity, more precisely the trail volume is proportional to the third power of Reynolds number. This increase furthermore results in significantly enhanced total dissipated power at higher Reynolds number. The biggest trail volume observed corresponds to about 500 times the body volume of the largest daphnids. Trail-averaged viscous dissipation rate of the swimming daphnids vary in the range of 1.8 x 10(-6) W/kg to 3.4 x 10(-6) W/kg and the observed magnitudes of total dissipated power between 1.3 x 10(-9) W and 1 x 10(-8) W, respectively. Among other zooplankton species, daphnids display the highest total dissipated power in their trails. These findings are discussed in the context of fluid mixing and transport by organisms swimming at intermediate Reynolds numbers.

Observing changes in atmospheric heat content

NASA Astrophysics Data System (ADS)

Balcerak, Ernie

2011-10-01

Globally, air temperatures near the surface over land have been rising in recent decades, and this has been presented as solid evidence of global warming. However, some scientists have argued that total heat content (energy), rather than temperature, should be used as a metric of warming trends. Surface air temperature is only one component of the energy content of the surface atmosphere—kinetic energy and latent heat also contribute. Peterson et al. present the first study to use observational data to estimate global changes in surface energy of the atmosphere over time. They include temperature, kinetic energy, and latent heat in their analysis. The authors found that total global surface atmospheric energy and heat content have increased since the 1970s, even though kinetic energy decreased slightly and in some regions latent heat declined while temperature increased.

Kinetics and Products of Chromium(VI) Reduction by Iron(II/III)-Bearing Clay Minerals.

PubMed

Joe-Wong, Claresta; Brown, Gordon E; Maher, Kate

2017-09-05

Hexavalent chromium is a water-soluble pollutant, the mobility of which can be controlled by reduction of Cr(VI) to less soluble, environmentally benign Cr(III). Iron(II/III)-bearing clay minerals are widespread potential reductants of Cr(VI), but the kinetics and pathways of Cr(VI) reduction by such clay minerals are poorly understood. We reacted aqueous Cr(VI) with two abiotically reduced clay minerals: an Fe-poor montmorillonite and an Fe-rich nontronite. The effects of ionic strength, pH, total Fe content, and the fraction of reduced structural Fe(II) [Fe(II)/Fe(total)] were examined. The last variable had the largest effect on Cr(VI) reduction kinetics: for both clay minerals, the rate constant of Cr(VI) reduction varies by more than 3 orders of magnitude with Fe(II)/Fe(total) and is described by a linear free energy relationship. Under all conditions examined, Cr and Fe K-edge X-ray absorption near-edge structure spectra show that the main Cr-bearing product is a Cr(III)-hydroxide and that Fe remains in the clay structure after reacting with Cr(VI). This study helps to quantify our understanding of the kinetics of Cr(VI) reduction by Fe(II/III)-bearing clay minerals and may improve predictions of Cr(VI) behavior in subsurface environments.

Experimental and modeling studies of ultrasound-assisted release of phenolics from oak chips into model wine.

PubMed

Tao, Yang; Zhang, Zhihang; Sun, Da-Wen

2014-09-01

The enhancement of release of oak-related compounds from oak chips during wine aging with oak chips may interest the winemaking industry. In this study, the 25-kHz ultrasound waves were used to intensify the mass transfer of phenolics from oak chips into a model wine. The influences of acoustic energy density (6.3-25.8 W/L) and temperature (15-25 °C) on the release kinetics of total phenolics were investigated systematically. The results exhibited that the total phenolic yield released was not affected by acoustic energy density significantly whereas it increased with the increase of temperature during sonication. Furthermore, to describe the mechanism of mass transfer of phenolics in model wine under ultrasonic field, the release kinetics of total phenolics was simulated by both a second-order kinetic model and a diffusion model. The modeling results revealed that the equilibrium concentration of total phenolics in model wine, the initial release rate and effective diffusivity of total phenolics generally increased with acoustic energy density and temperature. In addition, temperature had a negative effect on the second-order release rate constant whereas acoustic energy density had an opposite effect. Copyright © 2014 Elsevier B.V. All rights reserved.

The Stability of Silver Nanoparticles in a Model of Pulmonary Surfactant

PubMed Central

Fen, Leo Bey; Chen, Shu; Kyo, Yoshihiko; Herpoldt, Karla-Luise; Terrill, Nicholas J.; Dunlop, Iain E.; McPhail, David S.; Shaffer, Milo S.; Schwander, Stephan; Gow, Andrew; Zhang, Junfeng (Jim); Chung, Kian Fan; Tetley, Teresa D.; Porter, Alexandra E.; Ryan, Mary P.

2013-01-01

The growing use of silver nanoparticles (AgNPs) in consumer products has raised concerns about their potential impact on the environment and human health. Whether AgNPs dissolve and release Ag+ ions, or coarsen to form large aggregates, is critical in determining their potential toxicity. In this work, the stability of AgNPs in dipalmitoylphosphatidylcholine (DPPC), the major component of pulmonary surfactant, was investigated as a function of pH. Spherical, citrate-capped AgNPs with average diameters of 14 ± 1.6 nm (n=200) were prepared by a chemical bath reduction. The kinetics of Ag+ ion release was strongly pH-dependent. After 14 days of incubation in sodium perchlorate (NaClO4) or perchloric acid (HClO4) solutions, the total fraction of AgNPs dissolved varied from ~10 % at pH 3, to ~2 % at pH 5, with negligible dissolution at pH 7. A decrease in pH from 7 to 3 also promoted particle aggregation and coarsening. DPPC (100 mg.L−1) delayed the release of Ag+ ions, but did not significantly alter the total amount of Ag+ released after two weeks. In addition, DPPC improved the dispersion of the AgNPs and inhibited aggregation and coarsening. TEM images revealed that the AgNPs were coated with a DPPC layer serving as a semi-permeable layer. Hence, lung lining fluid, particularly DPPC, can modify the aggregation state and kinetics of Ag+ ion release of inhaled AgNPs in the lung. These observations have important implications for predicting the potential reactivity of AgNPs in the lung and the environment. PMID:23988335

Effects of Cluster Sets and Rest-Redistribution on Mechanical Responses to Back Squats in Trained Men.

PubMed

Tufano, James J; Conlon, Jenny A; Nimphius, Sophia; Brown, Lee E; Petkovic, Alex; Frick, Justin; Haff, G Gregory

2017-09-01

Eight resistance-trained men completed three protocols separated by 48-96 hours. Each protocol included 36 repetitions with the same rest duration, but the frequency and length of rest periods differed. The cluster sets of four (CS4) protocol included 30 s of rest after the 4th, 8th, 16th, 20th, 28th, and 32nd repetition in addition to 120 s of rest after the 12th and 24th repetition. For the other two protocols, the total 420 s rest time of CS4 was redistributed to include nine sets of four repetitions (RR4) with 52.5 s of rest after every four repetitions, or 36 sets of single repetitions (RR1) with 12 s of rest after every repetition. Mean (MF) and peak (PF) force, velocity (MV and PV), and power output (MP and PP) were measured during 36 repetitions and were collapsed into 12 repetitions for analysis. Repeated measures ANOVA 3 (protocol) x 12 (repetition) showed a protocol x repetition interaction for PF, MV, PV, MP, and PP (p-values from <0.001 to 0.012). No interaction or main effect was present for MF. During RR1, MV, PV, MP, and PP were maintained, but decreased throughout every 4-repetition sequence during CS4 and RR4. During CS4 and RR4, PF was less following a rest period compared to subsequent repetitions, whereas PF was maintained during RR1. These data indicate that rest redistribution results in similar average kinetics and kinematics, but if total rest time is redistributed to create shorter but more frequent sets, kinetics and kinematics may remain more constant.

Kinetic and kinematic differences between squats performed with and without elastic bands.

PubMed

Israetel, Michael A; McBride, Jeffrey M; Nuzzo, James L; Skinner, Jared W; Dayne, Andrea M

2010-01-01

The purpose of this investigation was to compare kinetic and kinematic variables between squats performed with and without elastic bands equalized for total work. Ten recreationally weight trained males completed 1 set of 5 squats without (Wht) and with (Band) elastic bands as resistance. Squats were completed while standing on a force platform with bar displacement measured using 2 potentiometers. Electromyography (EMG) was obtained from the vastus lateralis. Average force-time, velocity-time, power-time, and EMG-time graphs were generated and statistically analyzed for mean differences in values between the 2 conditions during the eccentric and concentric phases. The Band condition resulted in significantly higher forces in comparison to the Wht condition during the first 25% of the eccentric phase and the last 10% of the concentric phase (p < or = 0.05). However, the Wht condition resulted in significantly higher forces during the last 5% of the eccentric phase and the first 5% of the concentric phase in comparison to the Band condition. The Band condition resulted in significantly higher power and velocity values during the first portion of the eccentric phase and the latter portion of the concentric phase. Vastus lateralis muscle activity during the Band condition was significantly greater during the first portion of the eccentric phase and latter portion of the concentric phase as well. This investigation indicates that squats equalized for total work with and without elastic bands significantly alter the force-time, power-time, velocity-time, and EMG-time curves associated with the movements. Specifically, elastic bands seem to increase force, power, and muscle activity during the early portions of the eccentric phase and latter portions of the concentric phase.

Effects of Cluster Sets and Rest-Redistribution on Mechanical Responses to Back Squats in Trained Men

PubMed Central

Tufano, James J.; Conlon, Jenny A.; Nimphius, Sophia; Brown, Lee E.; Petkovic, Alex; Frick, Justin; Haff, G. Gregory

2017-01-01

Abstract Eight resistance-trained men completed three protocols separated by 48-96 hours. Each protocol included 36 repetitions with the same rest duration, but the frequency and length of rest periods differed. The cluster sets of four (CS4) protocol included 30 s of rest after the 4th, 8th, 16th, 20th, 28th, and 32nd repetition in addition to 120 s of rest after the 12th and 24th repetition. For the other two protocols, the total 420 s rest time of CS4 was redistributed to include nine sets of four repetitions (RR4) with 52.5 s of rest after every four repetitions, or 36 sets of single repetitions (RR1) with 12 s of rest after every repetition. Mean (MF) and peak (PF) force, velocity (MV and PV), and power output (MP and PP) were measured during 36 repetitions and were collapsed into 12 repetitions for analysis. Repeated measures ANOVA 3 (protocol) x 12 (repetition) showed a protocol x repetition interaction for PF, MV, PV, MP, and PP (p-values from <0.001 to 0.012). No interaction or main effect was present for MF. During RR1, MV, PV, MP, and PP were maintained, but decreased throughout every 4-repetition sequence during CS4 and RR4. During CS4 and RR4, PF was less following a rest period compared to subsequent repetitions, whereas PF was maintained during RR1. These data indicate that rest redistribution results in similar average kinetics and kinematics, but if total rest time is redistributed to create shorter but more frequent sets, kinetics and kinematics may remain more constant. PMID:28828076

Spatiotemporal Variability of Turbulence Kinetic Energy Budgets in the Convective Boundary Layer over Both Simple and Complex Terrain

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

Rai, Raj K.; Berg, Larry K.; Pekour, Mikhail

The assumption of sub-grid scale (SGS) horizontal homogeneity within a model grid cell, which forms the basis of SGS turbulence closures used by mesoscale models, becomes increasingly tenuous as grid spacing is reduced to a few kilometers or less, such as in many emerging high-resolution applications. Herein, we use the turbulence kinetic energy (TKE) budget equation to study the spatio-temporal variability in two types of terrain—complex (Columbia Basin Wind Energy Study [CBWES] site, north-eastern Oregon) and flat (ScaledWind Farm Technologies [SWiFT] site, west Texas) using the Weather Research and Forecasting (WRF) model. In each case six-nested domains (three domains eachmore » for mesoscale and large-eddy simulation [LES]) are used to downscale the horizontal grid spacing from 10 km to 10 m using the WRF model framework. The model output was used to calculate the values of the TKE budget terms in vertical and horizontal planes as well as the averages of grid cells contained in the four quadrants (a quarter area) of the LES domain. The budget terms calculated along the planes and the mean profile of budget terms show larger spatial variability at CBWES site than at the SWiFT site. The contribution of the horizontal derivative of the shear production term to the total production shear was found to be 45% and 15% of the total shear, at the CBWES and SWiFT sites, respectively, indicating that the horizontal derivatives applied in the budget equation should not be ignored in mesoscale model parameterizations, especially for cases with complex terrain with <10 km scale.« less

Testing the variability of the proton-to-electron mass ratio from observations of methanol in the dark cloud core L1498

NASA Astrophysics Data System (ADS)

Daprà, M.; Henkel, C.; Levshakov, S. A.; Menten, K. M.; Muller, S.; Bethlem, H. L.; Leurini, S.; Lapinov, A. V.; Ubachs, W.

2017-12-01

The dependence of the proton-to-electron mass ratio, μ, on the local matter density was investigated using methanol emission in the dense dark cloud core L1498. Towards two different positions in L1498, five methanol transitions were detected and an extra line was tentatively detected at a lower confidence level in one of the positions. The observed centroid frequencies were then compared with their rest-frame frequencies derived from least-squares fitting to a large data set. Systematic effects, as the underlying methanol hyperfine structure and the Doppler tracking of the telescope, were investigated and their effects were included in the total error budget. The comparison between the observations and the rest-frame frequencies constrains potential μ variation at the level of Δμ/μ < 6 × 10-8, at a 3σ confidence level. For the dark cloud, we determine a total CH3OH (A+E) beam averaged column density of ∼3-4 × 1012 cm-2 (within roughly a factor of two), an E- to A-type methanol column density ratio of N(A-CH3OH)/N(E-CH3OH) ∼1.00 ± 0.15, a density of n(H2) = 3 × 105 cm-3 (again within a factor of two) and a kinetic temperature of Tkin = 6 ± 1 K. In a kinetic model including the line intensities observed for the methanol lines, the n(H2) density is higher and the temperature is lower than that derived in previous studies based on different molecular species; the intensity of the 10 → 1-1 E line strength is not well reproduced.

Strong climate and tectonic control on plagioclase weathering in granitic terrain

USGS Publications Warehouse

Rasmussen, C.; Brantley, S.; Richter, D.D.B.; Blum, A.; Dixon, J.; White, A.F.

2011-01-01

Investigations to understand linkages among climate, erosion and weathering are central to quantifying landscape evolution. We approach these linkages through synthesis of regolith data for granitic terrain compiled with respect to climate, geochemistry, and denudation rates for low sloping upland profiles. Focusing on Na as a proxy for plagioclase weathering, we quantified regolith Na depletion, Na mass loss, and the relative partitioning of denudation to physical and chemical contributions. The depth and magnitude of regolith Na depletion increased continuously with increasing water availability, except for locations with mean annual temperature <5??C that exhibited little Na depletion, and locations with physical erosion rates <20gm-2yr-1 that exhibited deep and complete regolith Na depletion. Surface Na depletion also tended to decrease with increasing physical erosion. Depth-integrated Na mass loss and regolith depth were both three orders of magnitude greater in the fully depleted, low erosion rate sites relative to other locations. These locations exhibited strong erosion-limitation of Na chemical weathering rates based on correlation of Na chemical weathering rate to total Na denudation. Sodium weathering rates in cool locations with positive annual water balance were strongly correlated to total Na denudation and precipitation, and exhibited an average apparent activation energy (Ea) of 69kJmol-1 Na. The remaining water-limited locations exhibited kinetic limitation of Na weathering rates with an Ea of 136kJmol-1 Na, roughly equivalent to the sum of laboratory measures of Ea and dissolution reaction enthalpy for albite. Water availability is suggested as the dominant factor limiting rate kinetics in the water-limited systems. Together, these data demonstrate marked transitions and nonlinearity in how climate and tectonics correlate to plagioclase chemical weathering and Na mass loss. ?? 2010 Elsevier B.V.

Cobalt coordination and clustering in alpha-Co(OH)(2) revealed by synchrotron X-ray total scattering.

PubMed

Neilson, James R; Kurzman, Joshua A; Seshadri, Ram; Morse, Daniel E

2010-09-03

Structures of layered metal hydroxides are not well described by traditional crystallography. Total scattering from a synthesis-controlled subset of these materials, as described here, reveals that different cobalt coordination polyhedra cluster within each layer on short length scales, offering new insights and approaches for understanding the properties of these and related layered materials. Structures related to that of brucite [Mg(OH)(2)] are ubiquitous in the mineral world and offer a variety of useful functions ranging from catalysis and ion-exchange to sequestration and energy transduction, including applications in batteries. However, it has been difficult to resolve the atomic structure of these layered compounds because interlayer disorder disrupts the long-range periodicity necessary for diffraction-based structure determination. For this reason, traditional unit-cell-based descriptions have remained inaccurate. Here we apply, for the first time to such layered hydroxides, synchrotron X-ray total scattering methods-analyzing both the Bragg and diffuse components-to resolve the intralayer structure of three different alpha-cobalt hydroxides, revealing the nature and distribution of metal site coordination. The different compounds with incorporated chloride ions have been prepared with kinetic control of hydrolysis to yield different ratios of octahedrally and tetrahedrally coordinated cobalt ions within the layers, as confirmed by total scattering. Real-space analyses indicate local clustering of polyhedra within the layers, manifested in the weighted average of different ordered phases with fixed fractions of tetrahedrally coordinated cobalt sites. These results, hidden from an averaged unit-cell description, reveal new structural characteristics that are essential to understanding the origin of fundamental material properties such as color, anion exchange capacity, and magnetic behavior. Our results also provide further insights into the detailed mechanisms of aqueous hydrolysis chemistry of hydrated metal salts. We emphasize the power of the methods used here for establishing structure-property correlations in functional materials with related layered structures.

Wellness at Air Command and Staff College: Impacting Total Force Readiness Through Tomorrow’s Leaders

DTIC Science & Technology

1998-04-01

Joseph P. Opatz, ed. [Association for Worksite Health Promotion], Economic Impact of Worksite Health Promotion (Champaign, IL: Human Kinetics Publishers...Employee Health Promotion Programs (Champaign, IL: Human Kinetics Publishers, 1992), viii. 23 Erfurt, et al., 272. 24 O’Donnell and Harris, xiii. 25 Ibid...Champaign, IL: Human Kinetics Publishers, 1992), viii-ix. 40 Glossary ACSC Air Command and Staff College AU Air University AWC Air War College AY Academic

Extra compressibility terms for Favre-averaged two-equation models of inhomogeneous turbulent flows

NASA Technical Reports Server (NTRS)

Rubesin, Morris W.

1990-01-01

Forms of extra-compressibility terms that result from use of Favre averaging of the turbulence transport equations for kinetic energy and dissipation are derived. These forms introduce three new modeling constants, a polytropic coefficient that defines the interrelationships of the pressure, density, and enthalpy fluctuations and two constants in the dissipation equation that account for the non-zero pressure-dilitation and mean pressure gradients.

Physical and mechanical properties of spinach for whole-surface online imaging inspection

NASA Astrophysics Data System (ADS)

Tang, Xiuying; Mo, Chang Y.; Chan, Diane E.; Peng, Yankun; Qin, Jianwei; Yang, Chun-Chieh; Kim, Moon S.; Chao, Kuanglin

2011-06-01

The physical and mechanical properties of baby spinach were investigated, including density, Young's modulus, fracture strength, and friction coefficient. The average apparent density of baby spinach leaves was 0.5666 g/mm3. The tensile tests were performed using parallel, perpendicular, and diagonal directions with respect to the midrib of each leaf. The test results showed that the mechanical properties of spinach are anisotropic. For the parallel, diagonal, and perpendicular test directions, the average values for the Young's modulus values were found to be 2.137MPa, 1.0841 MPa, and 0.3914 MPa, respectively, and the average fracture strength values were 0.2429 MPa, 0.1396 MPa, and 0.1113 MPa, respectively. The static and kinetic friction coefficient between the baby spinach and conveyor belt were researched, whose test results showed that the average coefficients of kinetic and maximum static friction between the adaxial (front side) spinach leaf surface and conveyor belt were 1.2737 and 1.3635, respectively, and between the abaxial (back side) spinach leaf surface and conveyor belt were 1.1780 and 1.2451 respectively. These works provide the basis for future development of a whole-surface online imaging inspection system that can be used by the commercial vegetable processing industry to reduce food safety risks.

Nickel absorption and kinetics in human volunteers.

PubMed

Sunderman, F W; Hopfer, S M; Sweeney, K R; Marcus, A H; Most, B M; Creason, J

1989-05-01

Mathematical modeling of the kinetics of nickel absorption, distribution, and elimination was performed in healthy human volunteers who ingested NiSO4 drinking water (Experiment 1) or added to food (Experiment 2). Nickel was analyzed by electrothermal atomic absorption spectrophotometry in serum, urine, and feces collected during 2 days before and 4 days after a specified NiSO4 dose (12 micrograms of nickel/kg, n = 4; 18 micrograms of nickel/kg, n = 4; or 50 micrograms of nickel/kg, n = 1). In Experiment 1, each of the subjects fasted 12 hr before and 3 hr after drinking one of the specified NiSO4 doses dissolved in water; in Experiment 2, the respective subjects fasted 12 hr before consuming a standard American breakfast that contained the identical dose of NiSO4 added to scrambled eggs. Kinetic analyses, using a compartmental model, provided excellent goodness-of-fit for paired data sets from all subjects. Absorbed nickel averaged 27 +/- 17% (mean +/- SD) of the dose ingested in water vs 0.7 +/- 0.4% of the same dose ingested in food (a 40-fold difference); rate constants for nickel absorption, transfer, and elimination were not significantly influenced by the oral vehicle. The elimination half-time for absorbed nickel averaged 28 +/- 9 hr. Renal clearance of nickel averaged 8.3 +/- 2.0 ml/min/1.73 m2 in Experiment 1 and 5.8 +/- 4.3 ml/min/1.73 m2 in Experiment 2. This study confirms that dietary constituents profoundly reduce the bioavailability of Ni2+ for alimentary absorption; approximately one-quarter of nickel ingested in drinking water after an over-night fast is absorbed from the human intestine and excreted in urine, compared with only 1% of nickel ingested in food. The compartmental model and kinetic parameters provided by this study will reduce the uncertainty of toxicologic risk assessments of human exposures to nickel in drinking water and food.

Variability of OH rotational temperatures on time scales from hours to 15 years by kinetic temperature variations, emission layer changes, and non-LTE effects

NASA Astrophysics Data System (ADS)

Noll, Stefan

2016-07-01

Rotational temperatures derived from hydroxyl (OH) line emission are frequently used to study atmospheric temperatures at altitudes of about 87 km. While the measurement only requires intensities of a few bright lines of an OH band, the interpretation can be complicated. Ground-based temperatures are averages for the entire, typically 8 km wide emission layer. Variations in the rotational temperature are then caused by changes of the kinetic temperature and the OH emission profile. The latter can also be accompanied by differences in the layer-averaged efficiency of the thermalisation of the OH rotational level populations. Since this especially depends on the frequency of collisions with O_2, which is low at high altitudes, the non-local thermodynamic equilibrium (non-LTE) contribution to the measured temperatures can be significant and variable. In order to understand the impact of the different sources of OH rotational temperature variations from time scales of hours to a solar cycle, we have studied spectra from the astronomical echelle spectrographs X-shooter and UVES located at Cerro Paranal in Chile. While the X-shooter data spanning 3.5 years allowed us to measure temperatures for 25 OH and two O_2 bands, the UVES spectra cover no more than 10 OH bands simultaneously but a period of about 15 years. These data have been complemented by kinetic temperature and OH and O_2 emission profiles from the multi-channel radiometer SABER on the TIMED satellite. Taking the O_2 and SABER kinetic temperatures as reference and considering the different band-dependent emission profiles, we could evaluate the contribution of non-LTE effects to the measured OH rotational temperatures depending on line set, band, and time. Non-LTE contributions are significant for most bands and can exceed 10 K. The amplitudes of their average nocturnal and seasonal variation are of the order of 1 to 2 K.

A combined study of photospheric magnetic and current helicities and subsurface kinetic helicities of solar active regions during 2006-2013

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

Seligman, D.; Petrie, G. J. D.; Komm, R.

2014-11-10

We compare the average photospheric current helicity H{sub c} , photospheric twist parameter α (a well-known proxy for the full relative magnetic helicity), and subsurface kinetic helicity H{sub k} for 194 active regions observed between 2006-2013. We use 2440 Hinode photospheric vector magnetograms, and the corresponding subsurface fluid velocity data derived from GONG (2006-2012) and Helioseismic and Magnetic Imager (2010-2013) dopplergrams. We find a significant hemispheric bias in all three parameters. The subsurface kinetic helicity is preferentially positive in the southern hemisphere and negative in the northern hemisphere. The photospheric current helicity and the α parameter have the same biasmore » for strong fields (|B| > 1000 G) and no significant bias for weak fields (100 G <|B| < 500 G). We find no significant region-by-region correlation between the subsurface kinetic helicity and either the strong-field current helicity or α. Subsurface fluid motions of a given handedness correspond to photospheric helicities of both signs in approximately equal numbers. However, common variations appear in annual averages of these quantities over all regions. Furthermore, in a subset of 77 regions, we find significant correlations between the temporal profiles of the subsurface and photospheric helicities. In these cases, the sign of the linear correlation coefficient matches the sign relationship between the helicities, indicating that the photospheric magnetic field twist is sensitive to the twisting motions below the surface.« less

Enantioselective Total Synthesis of Natural Isoflavans: Asymmetric Transfer Hydrogenation/Deoxygenation of Isoflavanones with Dynamic Kinetic Resolution.

PubMed

Keßberg, Anton; Lübken, Tilo; Metz, Peter

2018-05-02

A concise and highly enantioselective synthesis of structurally diverse isoflavans from a single chromone is described. The key transformation is a single-step conversion of racemic isoflavanones into virtually enantiopure isoflavans by domino asymmetric transfer hydrogenation/deoxygenation with dynamic kinetic resolution.

New investigation of the isothermal oxidation of extra virgin olive oil: determination of free radicals, total polyphenols, total antioxidant capacity, and kinetic data.

PubMed

Amati, Lucia; Campanella, Luigi; Dragone, Roberto; Nuccilli, Adriano; Tomassetti, Mauro; Vecchio, Stefano

2008-09-24

As a follow-up of the research programs carried out by our group concerning the artificial isothermal rancidification process in extra virgin olive oil (EVOO), in the present work the trends of both the total antioxidant capacity and the total polyphenols concentration as well as the main kinetic parameters of the process during the thermal oxidation of EVOO were studied and compared. In addition, the possibility of evaluating the increase in radicals concentration during the thermal oxidation process using a superoxide dismutase biosensor was also studied. The present investigation concerning this important food product is highly topical as it refers to the state of alteration of the EVOO used for cooking or frying, as a function of the temperature reached.

Effects of eddy initial conditions on nonlinear forcing of planetary scale waves by amplifying baroclinic eddies

NASA Technical Reports Server (NTRS)

Young, Richard E.

1986-01-01

The previous study of Young and Villere concerning growth of planetary scale waves forced by wave-wave interactions of amplifying intermediate scale baroclinic eddies is extended to investigate effects of different eddy initial conditions. A global, spectral, primitive equation model is used for the calculations. For every set of eddy initial conditions considered, growth rates of planetary modes are considerably greater than growth rates computed from linear instability theory for a fixed zonally independent basic state. However, values of growth rates ranged over a factor of 3 depending on the particular set of eddy initial conditions used. Nonlinear forcing of planetary modes via wave-wave coupling becomes more important than baroclinic growth on the basic state at small values of the intermediate-scale modal amplitudes. The relative importance of direct transfer of kinetic energy from intermediate scales of motion to a planetary mode, compared to baroclinic conversion of available potential energy to kinetic energy within that planetary mode, depends on the individual case. In all cases, however, the transfer of either kinetic or available potential energy to the planetary modes was accomplished principally by wave-wave transfer from intermediate scale eddies, rather than from the zonally averaged state. The zonal wavenumber 2 planetary mode was prominent in all solutions, even in those for which eddy initial conditions were such that a different planetary mode was selectively forced at the start. General characteristics of the structural evolution of the planetary wave components of total heat and momentum flux, and modal structures themselves, were relatively insensitive to variations in eddy initial conditions, even though quantitative details varied from case to case.

On the relationships between Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, Equilibrium Chemistry Approximation kinetics and quadratic kinetics

DOE PAGES

Tang, J. Y.

2015-09-03

The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use which of the two are often ambiguous. Here I show that these two kinetics are special approximations to the Equilibrium Chemistry Approximation kinetics, which is the first order approximation to the quadratic kinetics that solves the equation of enzyme-substrate complex exactly for a single enzyme single substrate biogeochemical reaction with the law of mass action and the assumption of quasi-steady-state formore » the enzyme-substrate complex and that the product genesis from enzyme-substrate complex is much slower than the equilibration between enzyme-substrate complexes, substrates and enzymes. In particular, I showed that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in the Equilibrium Chemistry Approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln k 2 + of the reaction velocity v with respect to the maximum product genesis rate k 2 +, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln k 1 + of v with respect to the intrinsic substrate affinity k 1 +, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln [ E ] T of v with respect the total enzyme concentration [ E ] T and persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln [ S ] T of v with respect to the total substrate concentration [ S ] T. Meanwhile, the reverse Michaelis–Menten kinetics persistently under-predicts ∂ ln v / ∂ ln k 2 + and ∂ ln v / ∂ ln [ E ] T, and persistently over-predicts ∂ ln v / ∂ ln k 1 + and ∂ ln v / ∂ ln [ S ] T. In contrast, the Equilibrium Chemistry Approximation kinetics always gives consistent predictions of ∂ ln v / ∂ ln k 2 +, ∂ ln v / ∂ ln k 1 +, ∂ ln v / ∂ ln [ E ] T and ∂ ln v / ∂ ln [ S ] T. Since the Equilibrium Chemistry Approximation kinetics includes the advantages from both the Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics and it is applicable for almost the whole range of substrate and enzyme abundances, soil biogeochemical modelers therefore no longer need to choose when to use the Michaelis–Menten kinetics or the reverse Michaelis–Menten kinetics. I expect removing this choice ambiguity will make it easier to formulate more robust and consistent land biogeochemical models.« less

Morphology, directed self-assembly and pattern transfer from a high molecular weight polystyrene-block-poly(dimethylsiloxane) block copolymer film

NASA Astrophysics Data System (ADS)

Cheng, Li-Chen; Bai, Wubin; Fernandez Martin, Eduardo; Tu, Kun-Hua; Ntetsikas, Konstantinos; Liontos, George; Avgeropoulos, Apostolos; Ross, C. A.

2017-04-01

The self-assembly of block copolymers with large feature sizes is inherently challenging as the large kinetic barrier arising from chain entanglement of high molecular weight (MW) polymers limits the extent over which long-range ordered microdomains can be achieved. Here, we illustrate the evolution of thin film morphology from a diblock copolymer of polystyrene-block-poly(dimethylsiloxane) exhibiting total number average MW of 123 kg mol-1, and demonstrate the formation of layers of well-ordered cylindrical microdomains under appropriate conditions of binary solvent mix ratio, commensurate film thickness, and solvent vapor annealing time. Directed self-assembly of the block copolymer within lithographically patterned trenches occurs with alignment of cylinders parallel to the sidewalls. Fabrication of ordered cobalt nanowire arrays by pattern transfer was also implemented, and their magnetic properties and domain wall behavior were characterized.

Earth's changing global atmospheric energy cycle in response to climate change

PubMed Central

Pan, Yefeng; Li, Liming; Jiang, Xun; Li, Gan; Zhang, Wentao; Wang, Xinyue; Ingersoll, Andrew P.

2017-01-01

The Lorenz energy cycle is widely used to investigate atmospheres and climates on planets. However, the long-term temporal variations of such an energy cycle have not yet been explored. Here we use three independent meteorological data sets from the modern satellite era, to examine the temporal characteristics of the Lorenz energy cycle of Earth's global atmosphere in response to climate change. The total mechanical energy of the global atmosphere basically remains constant with time, but the global-average eddy energies show significant positive trends. The spatial investigations suggest that these positive trends are concentrated in the Southern Hemisphere. Significant positive trends are also found in the conversion, generation and dissipation rates of energies. The positive trends in the dissipation rates of kinetic energies suggest that the efficiency of the global atmosphere as a heat engine increased during the modern satellite era. PMID:28117324

Plasma ion stratification by weak planar shocks

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

Simakov, Andrei N.; Keenan, Brett D.; Taitano, William T.

We derive fluid equations for describing steady-state planar shocks of a moderate strength (0 < M - 1 ≲ 1 with M the shock Mach number) propagating through an unmagnetized quasineutral collisional plasma comprising two separate ion species. In addition to the standard fluid shock quantities, such as the total mass density, mass-flow velocity, and electron and average ion temperatures, the equations describe shock stratification in terms of variations in the relative concentrations and temperatures of the two ion species along the shock propagation direction. We have solved these equations analytically for weak shocks (0 < M - 1 <

Modulating intracellular acidification by regulating the incubation time of proton caged compounds.

PubMed

Carbone, Marilena; Sabbatella, Gianfranco; Antonaroli, Simonetta; Orlando, Viviana; Biagioni, Stefano; Nucara, Alessandro

2016-09-01

A proton caged compound, the 1-(2-nitrophenyl)- ethylhexadecyl sulfonate (HDNS), was dosed into HEK-293 at different incubation times. Samples were irradiated with filtered UV light for inducing photolysis of the HDNS and then probed by infrared spectroscopy. The intracellular acidification reaction can be followed by monitoring the consequent CO2 peak intensity variation. The total CO2 produced is similar for all the samples, hence it is only a function of the initial HDNS concentration. The way it is achieved, though, is different for the different incubation times and follows kinetics, which results in a combination of a linear CO2 increase and a steep CO2 increase followed by a decay. This is interpreted in terms of confinement of the HDNS into intracellular vesicles of variable average size and sensitive to UV light when they reach critical dimensions.

Plasma Ion Stratification by Weak Planar Shocks

NASA Astrophysics Data System (ADS)

Simakov, A. N.; Keenan, B. D.; Taitano, W. T.; Chacón, L.

2017-10-01

We derive fluid equations for describing steady-state planar shocks of a moderate strength (0

Plasma ion stratification by weak planar shocks

NASA Astrophysics Data System (ADS)

Simakov, Andrei N.; Keenan, Brett D.; Taitano, William T.; Chacón, Luis

2017-09-01

We derive fluid equations for describing steady-state planar shocks of a moderate strength ( 0

Plasma ion stratification by weak planar shocks

DOE PAGES

Simakov, Andrei N.; Keenan, Brett D.; Taitano, William T.; ...

2017-08-01

We derive fluid equations for describing steady-state planar shocks of a moderate strength (0 < M - 1 ≲ 1 with M the shock Mach number) propagating through an unmagnetized quasineutral collisional plasma comprising two separate ion species. In addition to the standard fluid shock quantities, such as the total mass density, mass-flow velocity, and electron and average ion temperatures, the equations describe shock stratification in terms of variations in the relative concentrations and temperatures of the two ion species along the shock propagation direction. We have solved these equations analytically for weak shocks (0 < M - 1 <

Persistence of Azoxystrobin in/on Grapes and Soil in Different Grapes Growing Areas of India

PubMed Central

Gajbhiye, Vijay Tularam; Gupta, Suman; Mukherjee, Irani; Singh, Shashi Bala; Singh, Neera; Kumar, Yogesh

2010-01-01

Persistence of azoxystrobin was studied in/on grapes when applied @ 150 g ai ha−1 (recommended dose) and 300 g ai ha−1 (double the recommended dose) in three grapes growing states of India, namely Karnataka, Maharashtra and Tamil Nadu, in the year 2006–2007. A total of five sprays were given at an interval of about 15 days. Grapes and soil samples were collected after 5th spray, extracted and analysed by gas chromatography using electron capture detector. Half life of azoxystrobin on grapes varied from 5.4 to 11.2 days. Residues of azoxystrobin were much below the prescribed MRL (0.5 mg kg−1) after 21 days. The dissipation of azoxystrobin in soil followed first order rate kinetics with an average half life of 8.1 days at the recommended dose of application. PMID:21153804

Kinetic theory of a two-dimensional magnetized plasma. II - Balescu-Lenard limit.

NASA Technical Reports Server (NTRS)

Vahala, G.

1972-01-01

The kinetic theory of a two-dimensional one-species plasma in a uniform dc magnetic field is investigated in the small plasma parameter limit. The plasma consists of charged rods interacting through the logarithmic Coulomb potential. Vahala and Montgomery earlier (1971) derived a Fokker-Planck equation for this system, but it contained a divergent integral, which had to be cut off on physical grounds. This cutoff is compared to the standard cutoff introduced in the two-dimensional unmagnetized Fokker-Planck equation. In the small plasma parameter limit, it is shown that the Balescu-Lenard collision term is zero in the long time average limit if only two-body interactions are considered. The energy transfer from a test particle to an equilibrium plasma is discussed and is also shown to be zero in the long time average limit. This supports the unexpected result of zero Balescu-Lenard collision term.

The application of quasi-steady approximation in atomic kinetics in simulation of hohlraum radiation drive

NASA Astrophysics Data System (ADS)

Ren, Guoli; Pei, Wenbing; Lan, Ke; Gu, Peijun; Li, Xin; Institute of Applied Physics; Computional Mathematics Team

2011-10-01

In current routine 2D simulation of hohlraum physics, we adopt the principal-quantum- number(n-level) average atom model(AAM). However, the experimental frequency-dependant radiative drive differs from our n-level simulated drive, which reminds us the need of a more detailed atomic kinetics description. The orbital-quantum-number(nl-level) AAM is a natural consideration but the in-line calculation consumes much more resources. We use a new method to built up a nl-level bound electron distribution using in-line n-level calculated plasma condition (such as temperature, density, average ionization degree). We name this method ``quasi-steady approximation.'' Using the re-built nl-level bound electron distribution (Pnl) , we acquire a new hohlraum radiative drive by post-processing. Comparison with the n-level post-processed hohlraum drive shows that we get an almost identical radiation flux but with more-detailed frequency-dependant structures.

Fluctuating bottleneck model studies on kinetics of DNA escape from α-hemolysin nanopores

NASA Astrophysics Data System (ADS)

Bian, Yukun; Wang, Zilin; Chen, Anpu; Zhao, Nanrong

2015-11-01

We have proposed a fluctuation bottleneck (FB) model to investigate the non-exponential kinetics of DNA escape from nanometer-scale pores. The basic idea is that the escape rate is proportional to the fluctuating cross-sectional area of DNA escape channel, the radius r of which undergoes a subdiffusion dynamics subjected to fractional Gaussian noise with power-law memory kernel. Such a FB model facilitates us to obtain the analytical result of the averaged survival probability as a function of time, which can be directly compared to experimental results. Particularly, we have applied our theory to address the escape kinetics of DNA through α-hemolysin nanopores. We find that our theoretical framework can reproduce the experimental results very well in the whole time range with quite reasonable estimation for the intrinsic parameters of the kinetics processes. We believe that FB model has caught some key features regarding the long time kinetics of DNA escape through a nanopore and it might provide a sound starting point to study much wider problems involving anomalous dynamics in confined fluctuating channels.

Degradation kinetics of the antioxidant additive ascorbic acid in packed table olives during storage at different temperatures.

PubMed

Montaño, A; Casado, F J; Rejano, L; Sanchez, A H; de Castro, A

2006-03-22

The kinetics of ascorbic acid (AA) loss during storage of packed table olives with two different levels of added AA was investigated. Three selected storage temperatures were assayed: 10 degrees C, ambient (20-24 degrees C), and 40 degrees C. The study was carried out in both pasteurized and unpasteurized product. The effect of pasteurization treatment alone on added AA was not significant. In the pasteurized product, in general AA degraded following a first-order kinetics. The activation energy calculated by using the Arrhenius model averaged 9 kcal/mol. For each storage temperature, the increase in initial AA concentration significantly decreased the AA degradation rate. In the unpasteurized product, AA was not detected after 20 days in samples stored at room temperature and AA degradation followed zero-order kinetics at 10 degrees C, whereas at 40 degrees C a second-order reaction showed the best fit. In both pasteurized and unpasteurized product, the low level of initial dehydroascorbic acid disappeared during storage. Furfural appeared to be formed during storage, mainly at 40 degrees C, following zero-order kinetics.

Total solids content and degree of hydrolysis influence proteolytic inactivation kinetics following whey protein hydrolysate manufacture.

PubMed

Conesa, Celia; FitzGerald, Richard J

2013-10-23

The kinetics and thermodynamics of the thermal inactivation of Corolase PP in two different whey protein concentrate (WPC) hydrolysates with degree of hydrolysis (DH) values of ~10 and 21%, and at different total solids (TS) levels (from 5 to 30% w/v), were studied. Inactivation studies were performed in the temperature range from 60 to 75 °C, and residual enzyme activity was quantified using the azocasein assay. The inactivation kinetics followed a first-order model. Analysis of the activation energy, thermodynamic parameters, and D and z values, demonstrated that the inactivation of Corolase PP was dependent on solution TS. The intestinal enzyme preparation was more heat sensitive at low TS. Moreover, it was also found that the enzyme was more heat sensitive in solutions at higher DH.

Stochastic effects in a discretized kinetic model of economic exchange

NASA Astrophysics Data System (ADS)

Bertotti, M. L.; Chattopadhyay, A. K.; Modanese, G.

2017-04-01

Linear stochastic models and discretized kinetic theory are two complementary analytical techniques used for the investigation of complex systems of economic interactions. The former employ Langevin equations, with an emphasis on stock trade; the latter is based on systems of ordinary differential equations and is better suited for the description of binary interactions, taxation and welfare redistribution. We propose a new framework which establishes a connection between the two approaches by introducing random fluctuations into the kinetic model based on Langevin and Fokker-Planck formalisms. Numerical simulations of the resulting model indicate positive correlations between the Gini index and the total wealth, that suggest a growing inequality with increasing income. Further analysis shows, in the presence of a conserved total wealth, a simultaneous decrease in inequality as social mobility increases, in conformity with economic data.

Kinetic model for microbial growth and desulphurisation with Enterobacter sp.

PubMed

Liu, Long; Guo, Zhiguo; Lu, Jianjiang; Xu, Xiaolin

2015-02-01

Biodesulphurisation was investigated by using Enterobacter sp. D4, which can selectively desulphurise and convert dibenzothiophene into 2-hydroxybiphenyl (2-HBP). The experimental values of growth, substrate consumption and product generation were obtained at 95 % confidence level of the fitted values using three models: Hinshelwood equation, Luedeking-Piret and Luedeking-Piret-like equations. The average error values between experimental values and fitted values were less than 10 %. These kinetic models describe all the experimental data with good statistical parameters. The production of 2-HBP in Enterobacter sp. was by "coupled growth".

Aerobic composting of waste activated sludge: Kinetic analysis for microbiological reaction and oxygen consumption

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

Yamada, Y.; Kawase, Y.

2006-07-01

In order to examine the optimal design and operating parameters, kinetics for microbiological reaction and oxygen consumption in composting of waste activated sludge were quantitatively examined. A series of experiments was conducted to discuss the optimal operating parameters for aerobic composting of waste activated sludge obtained from Kawagoe City Wastewater Treatment Plant (Saitama, Japan) using 4 and 20 L laboratory scale bioreactors. Aeration rate, compositions of compost mixture and height of compost pile were investigated as main design and operating parameters. The optimal aerobic composting of waste activated sludge was found at the aeration rate of 2.0 L/min/kg (initial compostingmore » mixture dry weight). A compost pile up to 0.5 m could be operated effectively. A simple model for composting of waste activated sludge in a composting reactor was developed by assuming that a solid phase of compost mixture is well mixed and the kinetics for microbiological reaction is represented by a Monod-type equation. The model predictions could fit the experimental data for decomposition of waste activated sludge with an average deviation of 2.14%. Oxygen consumption during composting was also examined using a simplified model in which the oxygen consumption was represented by a Monod-type equation and the axial distribution of oxygen concentration in the composting pile was described by a plug-flow model. The predictions could satisfactorily simulate the experiment results for the average maximum oxygen consumption rate during aerobic composting with an average deviation of 7.4%.« less

Generation of Comprehensive Surrogate Kinetic Models and Validation Databases for Simulating Large Molecular Weight Hydrocarbon Fuels

DTIC Science & Technology

2012-10-25

of hydrogen/ carbon molar ratio (H/C), derived cetane number (DCN), threshold sooting index (TSI), and average mean molecular weight (MWave) of...diffusive soot extinction configurations. Matching the “real fuel combustion property targets” of hydrogen/ carbon molar ratio (H/C), derived cetane number...combustion property targets - hydrogen/ carbon molar ratio (H/C), derived cetane number (DCN), threshold sooting index (TSI), and average mean

A kinetic model for estimating net photosynthetic rates of cos lettuce leaves under pulsed light.

PubMed

Jishi, Tomohiro; Matsuda, Ryo; Fujiwara, Kazuhiro

2015-04-01

Time-averaged net photosynthetic rate (P n) under pulsed light (PL) is known to be affected by the PL frequency and duty ratio, even though the time-averaged photosynthetic photon flux density (PPFD) is unchanged. This phenomenon can be explained by considering that photosynthetic intermediates (PIs) are pooled during light periods and then consumed by partial photosynthetic reactions during dark periods. In this study, we developed a kinetic model to estimate P n of cos lettuce (Lactuca sativa L. var. longifolia) leaves under PL based on the dynamics of the amount of pooled PIs. The model inputs are average PPFD, duty ratio, and frequency; the output is P n. The rates of both PI accumulation and consumption at a given moment are assumed to be dependent on the amount of pooled PIs at that point. Required model parameters and three explanatory variables (average PPFD, frequency, and duty ratio) were determined for the simulation using P n values under PL based on several combinations of the three variables. The model simulation for various PL levels with a wide range of time-averaged PPFDs, frequencies, and duty ratios further demonstrated that P n under PL with high frequencies and duty ratios was comparable to, but did not exceed, P n under continuous light, and also showed that P n under PL decreased as either frequency or duty ratio was decreased. The developed model can be used to estimate P n under various light environments where PPFD changes cyclically.

Analysis of the total kinetic energy of fission fragments with the Langevin equation

NASA Astrophysics Data System (ADS)

Usang, M. D.; Ivanyuk, F. A.; Ishizuka, C.; Chiba, S.

2017-12-01

We analyzed the total kinetic energy (TKE) of fission fragments with three-dimensional Langevin calculations for a series of actinides and Fm isotopes at various excitation energies. This allowed us to establish systematic trends of TKE with Z2/A1 /3 of the fissioning system and as a function of excitation energy. In the mass-energy distributions of fission fragments we see the contributions from the standard, super-long, and super-short (in the case of 258Fm) fission modes. For the fission fragments mass distribution of 258Fm we obtained a single peak mass distribution. The decomposition of TKE into the prescission kinetic energy and Coulomb repulsion showed that decrease of TKE with growing excitation energy is accompanied by a decrease of prescission kinetic energy. It was also found that transport coefficients (friction and inertia tensors) calculated by a microscopic model and by macroscopic models give drastically different behaviors of TKE as a function of excitation energy. The results obtained with microscopic transport coefficients are much closer to experimental data than those calculated with macroscopic ones.

KINETIC ENERGY AND MASS DISTRIBUTIONS FOR NUCLEAR FISSION AT MODERATE EXCITATION ENERGY (thesis)

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

Burnett, D.S.

1963-10-01

Fission fragment kinetic energy measurements using semiconductor detectors were made for the alpha-induced fission of Au/sup 197/, Bi/sup 209/, Th/ sup 232/, and U/sup 238/ at alpha energi es of 21 to 65 Mev. The data were recorded as the number of events at fragment energies E/sub 1/ and E/sub 2/, N(E/ sub 1/,E/sub 2/). The data were then transformed into mass--total kinetic energy maps and analyzed by means of moments. The Bi and Au data are in good agreement with quantitative theoretical predictions from the liquid drop model available for the lighter elements. The U and Th data aremore » discussed in terms of qualitative ideas that have been proposed to explain the properties of the fission process for the heavier elements. The changes in the U and Th mass and total kinetic energy distributions with excitation energy are emphasized. Pulse- height energy relations for the detectors used were obtained by a detailed comparison of detector and time-offlight results for the spontaneous fission of Cf/sup 252/. 54 references. (auth)« less

Thermogravimetric analysis for the determination of water release rate from microcrystalline cellulose dry powder and wet bead systems.

PubMed

Mayville, Francis C; Wigent, Rodney J; Schwartz, Joseph B

2006-01-01

The purpose of this work was to determine the total amount of water contained in dry powder and wet bead samples of microcrystalline cellulose, MCC, (Avicel PH-101), taken from various stages of the extrusion/marumerization process used to make beads and to determine the kinetic rates of water release from each sample. These samples were allowed to equilibrate in controlled humidity chambers at 25 degrees C. The total amount of water in each sample, after equilibration, was determined by thermogravimetric analysis (TGA) as a function of temperature. The rates of water release from these samples were determined by using isothermal gravimetric analysis (ITGA) as a function of time. Analysis of the results for these studies suggest that water was released from these systems by several different kinetic mechanisms. The water release mechanisms for these systems include: zero order, second order, and diffusion controlled kinetics. It is believed that all three kinetic mechanisms will occur at the same time, however; only one mechanism will be prominent. The prominent mechanism was based on the amount of water present in the sample.

Variability of Grip Kinetics during Adult Signature Writing

PubMed Central

Ghali, Bassma; Thalanki Anantha, Nayanashri; Chan, Jennifer; Chau, Tom

2013-01-01

Grip kinetics and their variation are emerging as important considerations in the clinical assessment of handwriting pathologies, fine motor rehabilitation, biometrics, forensics and ergonomic pen design. This study evaluated the intra- and inter-participant variability of grip shape kinetics in adults during signature writing. Twenty (20) adult participants wrote on a digitizing tablet using an instrumented pen that measured the forces exerted on its barrel. Signature samples were collected over 10 days, 3 times a day, to capture temporal variations in grip shape kinetics. A kinetic topography (i.e., grip shape image) was derived per signature by time-averaging the measured force at each of 32 locations around the pen barrel. The normalized cross correlations (NCC) of grip shape images were calculated within- and between-participants. Several classification algorithms were implemented to gauge the error rate of participant discrimination based on grip shape kinetics. Four different grip shapes emerged and several participants made grip adjustments (change in grip shape or grip height) or rotated the pen during writing. Nonetheless, intra-participant variation in grip kinetics was generally much smaller than inter-participant force variations. Using the entire grip shape images as a 32-dimensional input feature vector, a K-nearest neighbor classifier achieved an error rate of % in discriminating among participants. These results indicate that writers had unique grip shape kinetics that were repeatable over time but distinct from those of other participants. The topographic analysis of grip kinetics may inform the development of personalized interventions or customizable grips in clinical and industrial applications, respectively. PMID:23658812

Variability of grip kinetics during adult signature writing.

PubMed

Ghali, Bassma; Thalanki Anantha, Nayanashri; Chan, Jennifer; Chau, Tom

2013-01-01

Grip kinetics and their variation are emerging as important considerations in the clinical assessment of handwriting pathologies, fine motor rehabilitation, biometrics, forensics and ergonomic pen design. This study evaluated the intra- and inter-participant variability of grip shape kinetics in adults during signature writing. Twenty (20) adult participants wrote on a digitizing tablet using an instrumented pen that measured the forces exerted on its barrel. Signature samples were collected over 10 days, 3 times a day, to capture temporal variations in grip shape kinetics. A kinetic topography (i.e., grip shape image) was derived per signature by time-averaging the measured force at each of 32 locations around the pen barrel. The normalized cross correlations (NCC) of grip shape images were calculated within- and between-participants. Several classification algorithms were implemented to gauge the error rate of participant discrimination based on grip shape kinetics. Four different grip shapes emerged and several participants made grip adjustments (change in grip shape or grip height) or rotated the pen during writing. Nonetheless, intra-participant variation in grip kinetics was generally much smaller than inter-participant force variations. Using the entire grip shape images as a 32-dimensional input feature vector, a K-nearest neighbor classifier achieved an error rate of 1.2±0.4% in discriminating among participants. These results indicate that writers had unique grip shape kinetics that were repeatable over time but distinct from those of other participants. The topographic analysis of grip kinetics may inform the development of personalized interventions or customizable grips in clinical and industrial applications, respectively.

Kinematic and kinetic analyses of the toes in dance movements.

PubMed

Jarvis, Danielle N; Kulig, Kornelia

2016-09-01

Due to the significant amount of time dancers spend on the forefoot, loads on the metatarsophalangeal joints are likely high, yet vary between dance movements. The purpose of this study was to compare joint motion and net joint moments at the metatarsophalangeal joints during three different dance movements ranging in demands at the foot and ankle joints. Ten healthy, female dancers (27.6 ± 3.2 years; 56.3 ± 6.9 kg; 1.6 ± 0.1 m) with an average 21.7 ± 4.9 years of dance training performed relevés (rising up onto the toes), sautés (vertical bipedal jumps), and saut de chat leaps (split jumps involving both vertical and horizontal components). Metatarsophalangeal joint kinematics and kinetics in the sagittal plane were calculated. Total excursion and peak net joint moments during rising or push-off were compared between the three dance movements. Greater extension of the metatarsophalangeal joints was seen during relevés compared to sautés or saut de chat leaps, and the largest metatarsophalangeal net joint moments were seen during saut de chat leaps. The metatarsophalangeal joints frequently and repetitively manage external loads and substantial metatarsophalangeal extension during these three dance movements, which may contribute to the high rate of foot and ankle injuries in dancers.

Aqueous extraction kinetics of soluble solids, phenolics and flavonoids from sage (Salvia fruticosa Miller) leaves.

PubMed

Torun, Mehmet; Dincer, Cuneyt; Topuz, Ayhan; Sahin-Nadeem, Hilal; Ozdemir, Feramuz

2015-05-01

In the present study, aqueous extraction kinetics of total soluble solids (TSS), total phenolic content (TPC) and total flavonoid content (TFC) from Salvia fruticosa leaves were investigated throughout 150 min. of extraction period against temperature (60-80 °C), particle size (2-8 mm) and loading percentage (1-4 %). The extract yielded 25 g/100 g TSS which contained 30 g/100 g TPC and 25 g/100 g TFC. The extraction data in time course fit with reversible first order kinetic model. All tested variables showed significant effect on the estimated kinetic parameters except equilibrium concentration. Increasing the extraction temperature resulted high extraction rate constants and equilibrium concentrations of the tested variables notably above 70 °C. By using the Arrhenius relationship, activation energy of the TSS, TPC and TFC were determined as 46.11 ± 5.61, 36.80 ± 3.12 and 33.52 ± 2.23 kj/mol, respectively. By decreasing the particle size, the extraction rate constants and diffusion coefficients exponentially increased whereas equilibrium concentrations did not change significantly. The equilibrium concentrations of the tested parameters showed linear behavior with increasing the loading percentage of the sage, however; the change in extraction rates did not show linear behavior due to submerging effect of 4 % loading.

Polyaspartic Acid Concentration Controls the Rate of Calcium Phosphate Nanorod Formation in High Concentration Systems

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

Krogstad, Daniel V.; Wang, Dongbo; Lin-Gibson, Sheng

Polyelectrolytes are known to greatly affect calcium phosphate (CaP) mineralization. The reaction kinetics as well as the CaP phase, morphology and aggregation state depend on the relative concentrations of the polyelectrolyte and the inorganic ions in a complex, nonlinear manner. This study examines the structural evolution and kinetics of polyaspartic acid (pAsp) directed CaP mineralization at high concentrations of polyelectrolytes, calcium, and total phosphate (19–30 mg/mL pAsp, 50–100 mM Ca2+, Ca/P = 2). Using a novel combination of characterization techniques including cryogenic transmission electron microscopy (cryo-TEM), spectrophotometry, X-ray total scattering pair distribution function analysis, and attenuated total reflectance Fourier transformmore » infrared spectroscopy (ATR-FTIR), it was determined that the CaP mineralization occurred over four transition steps. The steps include the formation of aggregates of pAsp stabilized CaP spherical nanoparticles (sNP), crystallization of sNP, oriented attachment of the sNP into nanorods, and further crystallization of the nanorods. The intermediate aggregate sizes and the reaction kinetics were found to be highly polymer concentration dependent while the sizes of the particles were not concentration dependent. This study demonstrates the complex role of pAsp in controlling the mechanism as well as the kinetics of CaP mineralization.« less

Phosphotyrosine-mediated LAT assembly on membranes drives kinetic bifurcation in recruitment dynamics of the Ras activator SOS

PubMed Central

Huang, William Y. C.; Yan, Qingrong; Lin, Wan-Chen; Chung, Jean K.; Hansen, Scott D.; Christensen, Sune M.; Tu, Hsiung-Lin; Kuriyan, John; Groves, Jay T.

2016-01-01

The assembly of cell surface receptors with downstream signaling molecules is a commonly occurring theme in multiple signaling systems. However, little is known about how these assemblies modulate reaction kinetics and the ultimate propagation of signals. Here, we reconstitute phosphotyrosine-mediated assembly of extended linker for the activation of T cells (LAT):growth factor receptor-bound protein 2 (Grb2):Son of Sevenless (SOS) networks, derived from the T-cell receptor signaling system, on supported membranes. Single-molecule dwell time distributions reveal two, well-differentiated kinetic species for both Grb2 and SOS on the LAT assemblies. The majority fraction of membrane-recruited Grb2 and SOS both exhibit fast kinetics and single exponential dwell time distributions, with average dwell times of hundreds of milliseconds. The minor fraction exhibits much slower kinetics, extending the dwell times to tens of seconds. Considering this result in the context of the multistep process by which the Ras GEF (guanine nucleotide exchange factor) activity of SOS is activated indicates that kinetic stabilization from the LAT assembly may be important. This kinetic proofreading effect would additionally serve as a stochastic noise filter by reducing the relative probability of spontaneous SOS activation in the absence of receptor triggering. The generality of receptor-mediated assembly suggests that such effects may play a role in multiple receptor proximal signaling processes. PMID:27370798

Phosphotyrosine-mediated LAT assembly on membranes drives kinetic bifurcation in recruitment dynamics of the Ras activator SOS.

PubMed

Huang, William Y C; Yan, Qingrong; Lin, Wan-Chen; Chung, Jean K; Hansen, Scott D; Christensen, Sune M; Tu, Hsiung-Lin; Kuriyan, John; Groves, Jay T

2016-07-19

The assembly of cell surface receptors with downstream signaling molecules is a commonly occurring theme in multiple signaling systems. However, little is known about how these assemblies modulate reaction kinetics and the ultimate propagation of signals. Here, we reconstitute phosphotyrosine-mediated assembly of extended linker for the activation of T cells (LAT):growth factor receptor-bound protein 2 (Grb2):Son of Sevenless (SOS) networks, derived from the T-cell receptor signaling system, on supported membranes. Single-molecule dwell time distributions reveal two, well-differentiated kinetic species for both Grb2 and SOS on the LAT assemblies. The majority fraction of membrane-recruited Grb2 and SOS both exhibit fast kinetics and single exponential dwell time distributions, with average dwell times of hundreds of milliseconds. The minor fraction exhibits much slower kinetics, extending the dwell times to tens of seconds. Considering this result in the context of the multistep process by which the Ras GEF (guanine nucleotide exchange factor) activity of SOS is activated indicates that kinetic stabilization from the LAT assembly may be important. This kinetic proofreading effect would additionally serve as a stochastic noise filter by reducing the relative probability of spontaneous SOS activation in the absence of receptor triggering. The generality of receptor-mediated assembly suggests that such effects may play a role in multiple receptor proximal signaling processes.

Plasma-resistivity-induced strong damping of the kinetic resistive wall mode.

PubMed

He, Yuling; Liu, Yueqiang; Liu, Yue; Hao, Guangzhou; Wang, Aike

2014-10-24

An energy-principle-based dispersion relation is derived for the resistive wall mode, which incorporates both the drift kinetic resonance between the mode and energetic particles and the resistive layer physics. The equivalence between the energy-principle approach and the resistive layer matching approach is first demonstrated for the resistive plasma resistive wall mode. As a key new result, it is found that the resistive wall mode, coupled to the favorable average curvature stabilization inside the resistive layer (as well as the toroidal plasma flow), can be substantially more stable than that predicted by drift kinetic theory with fast ion stabilization, but with the ideal fluid assumption. Since the layer stabilization becomes stronger with decreasing plasma resistivity, this regime is favorable for reactor scale, high-temperature fusion devices.

Is It Homogeneous or Heterogeneous Catalysis Derived from [RhCp*Cl2]2? In Operando-XAFS, Kinetic and Crucial Kinetic Poisoning Evidence for Subnanometer Rh4 Cluster-Based Benzene Hydrogenation Catalysis

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

Bayram, Ercan; Linehan, John C.; Fulton, John L.

2011-11-23

Determining the true, kinetically dominant catalytically active species, in the classic benzene hydrogenation system pioneered by Maitlis and co-workers 34 years ago starting with [RhCp*Cl2]2 (Cp* = [{eta}5-C5(CH3)5]), has proven to be one of the most challenging case studies in the quest to distinguish single-metal-based 'homogeneous' from polymetallic, 'heterogeneous' catalysis. The reason, this study will show, is the previous failure to use the proper combination of (i) operando spectroscopy to determine the dominant form(s) of the precatalyst's mass under catalysis (i.e., operating) conditions, plus then and crucially also (ii) the previous lack of the necessary kinetic studies, catalysis being amore » 'wholly kinetic phenomenon' as J. Halpern long ago noted. An important contribution from this study will be to reveal the power of quantitiative kinetic poisoning experiments for distinguishing single-metal, or in this case subnanometer Rh4 cluster-based catalysis from larger, polymetallic Rh(0)n nanoparticle catalysis, at least under favorable conditions. The combined operando-XAFS (X-ray absorption fine structure) spectroscopy and kinetic evidences provide a compelling case for Rh4-based, with average stoichiometry 'Rh4Cp*2.4Cl4Hc', benzene hydrogenation catalysis in 2-propanol with added Et3N and at 100 C and 50 atm initial H2 pressure. The results also reveal, however, that if even ca. 1.4% of the total soluble Rh(0)n had formed nanoparticles, then those Rh(0)n nanoparticles would have been able to account for all the observed benzene hydrogenation catalytic rate (using commercial, ca. 2 nm, polyethyleneglycol-dodecylether hydrosol stabilized Rh(0)n nanoparticles as a model system). The results 'especially the poisoning methodology developed and employed' are of significant, broader interest since determining the nature of the true catalyst continues to be a central, often vexing issue in any and all catalytic reactions. The results are also of fundamental interest in that they add to a growing body of evidence indicating that certain, appropriately ligated, coordinatively unsaturated, subnanometer M4 transition-metal clusters can be relatively robust catalysts. Also demonstrated herein is that Rh4 clusters are poisoned by Hg(0), demonstrating for the first time that the classic Hg(0) poisoning test of 'homogeneous' vs 'heterogeneous'catalysts cannot distinguish Rh4-based subnanometer catalysts from Rh(0)n nanoparticle catalysts, at least for the present examples of these two specific, Rh-based catalysts.« less

New Environmentalconditions Responsible for the amount of mg Incorporated in Biogenic Carbonates

NASA Astrophysics Data System (ADS)

Zuddas, P.; Cherchi, A.; DeGiudici, G. B.; Buosi, C.

2012-12-01

The composition of carbonate minerals formed in past and present oceans is assumed to be significantly controlled by temperature and seawater composition. Several kinetic laboratory investigations have suggested that the temperature is kinetically responsible for the amount of Mg incorporated in both abiotic and biogenic calcites and that variation of kinetic reaction mechanism resulting from the temperature changes are correlated with the variable amount of Mg incorporated in calcites. These results explain why in present-day marine carbonates low-Mg calcite cements are mainly associated with cool water while high-Mg carbonates are dominantly found in warm-water environments. An apparent inverse relationship between the global average paleo-temperature and the Mg/Ca ratio is however observed in the past formed marine carbonate. This apparent contradiction has been interpreted as resulting from a possible changing in the relative seawater geochemical cycles of these cations. Recent monitoring of costal areas in presence of heavy metals and CO2 released from industrial polluted area reveals the presence of porcelanaceous miliolids infested by microscopic boring microflora (cyanobacteria, algae and fungi). Here, benthonic foraminifera have Mg/Ca molar ratio by one order of magnitude higher when compared to the average value of the same genus living under uncontaminated environments. A similar behaviour has been found for Zn, Cd and Pb. In these contaminated environments, temperature and average major seawater composition remain constant, while PCO2 partial pressure (estimated by pH and alkalinity using the ion pairing model) is 3-5 times higher than the average for the open sea nearby. Geochemical models predicts that CO2 increase is affecting carbonate saturation state of surface water in the twenty-first century indicating that calcareous organisms may have difficulty calcifying leading to production of weaker skeletons and greater vulnerability to erosion. The properties of biogenic carbonate reservoirs are affected not only by the CO2 increase but also by metal dispersion process contributing to global CO2 change via a complex ecological process.

Flocculation kinetics of low-turbidity raw water and the irreversible floc breakup process.

PubMed

Marques, Rodrigo de Oliveira; Ferreira Filho, Sidney Seckler

2017-04-01

The main objective of this study was to propose an improvement to the flocculation kinetics model presented by Argaman and Kaufman, by including a new term that accounts for the irreversible floc breakup process. Both models were fitted to the experimental results obtained with flocculation kinetics assays of low turbidity raw water containing Microcystis aeruginosa cells. Aluminum sulfate and ferric chloride were used as coagulants, and three distinct average velocity gradient (G) values were applied in the flocculation stage (20, 40 and 60 s -1 ). Experimental results suggest that the equilibrium between the aggregation and breakup process, as depicted by Argaman and Kaufman's original model, might not be constant over time, since the residual turbidity increased in various assays (phenomenon that was attributed to the irreversible floc breakup process). In the aluminum sulfate assays, the residual turbidity increase was visible when G = 20 s -1 (dosages of 60 and 80 mg L -1 ). For the ferric chloride assays, the phenomenon was noticed when G = 60 s -1 (dosages of 60 and 80 mg L -1 ). The proposed model presented a better fit to the experimental results, especially at higher coagulant dosages and/or higher values of average velocity gradient (G).

On the relationships between the Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, equilibrium chemistry approximation kinetics, and quadratic kinetics

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

Tang, J. Y.

The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use either of the two are often ambiguous. Here I show that these two kinetics are special approximations to the equilibrium chemistry approximation (ECA) kinetics, which is the first-order approximation to the quadratic kinetics that solves the equation of an enzyme–substrate complex exactly for a single-enzyme and single-substrate biogeochemical reaction with the law of mass action and the assumption of a quasi-steadymore » state for the enzyme–substrate complex and that the product genesis from enzyme–substrate complex is much slower than the equilibration between enzyme–substrate complexes, substrates, and enzymes. In particular, I show that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in deriving the equilibrium chemistry approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln k 2 + of the reaction velocity v with respect to the maximum product genesis rate k 2 +, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln k 1 + of v with respect to the intrinsic substrate affinity k 1 +, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln [ E] T of v with respect the total enzyme concentration [ E] T, and persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln [ S] T of v with respect to the total substrate concentration [ S] T. Meanwhile, the reverse Michaelis–Menten kinetics persistently underpredicts ∂ ln v / ∂ ln k 2 + and ∂ ln v / ∂ ln [ E] T, and persistently overpredicts ∂ ln v / ∂ ln k 1 + and ∂ ln v / ∂ ln [ S] T. In contrast, the equilibrium chemistry approximation kinetics always gives consistent predictions of ∂ ln v / ∂ ln k 2 +, ∂ ln v / ∂ ln k 1 +, ∂ ln v / ∂ ln [ E] T, and ∂ ln v / ∂ ln [ S] T, indicating that ECA-based models will be more calibratable if the modeled processes do obey the law of mass action. Since the equilibrium chemistry approximation kinetics includes advantages from both the Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics and it is applicable for almost the whole range of substrate and enzyme abundances, land biogeochemical modelers therefore no longer need to choose when to use the Michaelis–Menten kinetics or the reverse Michaelis–Menten kinetics. I expect that removing this choice ambiguity will make it easier to formulate more robust and consistent land biogeochemical models.« less

On the relationships between the Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, equilibrium chemistry approximation kinetics, and quadratic kinetics

DOE PAGES

Tang, J. Y.

2015-12-01

The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use either of the two are often ambiguous. Here I show that these two kinetics are special approximations to the equilibrium chemistry approximation (ECA) kinetics, which is the first-order approximation to the quadratic kinetics that solves the equation of an enzyme–substrate complex exactly for a single-enzyme and single-substrate biogeochemical reaction with the law of mass action and the assumption of a quasi-steadymore » state for the enzyme–substrate complex and that the product genesis from enzyme–substrate complex is much slower than the equilibration between enzyme–substrate complexes, substrates, and enzymes. In particular, I show that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in deriving the equilibrium chemistry approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln k 2 + of the reaction velocity v with respect to the maximum product genesis rate k 2 +, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln k 1 + of v with respect to the intrinsic substrate affinity k 1 +, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln [ E] T of v with respect the total enzyme concentration [ E] T, and persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln [ S] T of v with respect to the total substrate concentration [ S] T. Meanwhile, the reverse Michaelis–Menten kinetics persistently underpredicts ∂ ln v / ∂ ln k 2 + and ∂ ln v / ∂ ln [ E] T, and persistently overpredicts ∂ ln v / ∂ ln k 1 + and ∂ ln v / ∂ ln [ S] T. In contrast, the equilibrium chemistry approximation kinetics always gives consistent predictions of ∂ ln v / ∂ ln k 2 +, ∂ ln v / ∂ ln k 1 +, ∂ ln v / ∂ ln [ E] T, and ∂ ln v / ∂ ln [ S] T, indicating that ECA-based models will be more calibratable if the modeled processes do obey the law of mass action. Since the equilibrium chemistry approximation kinetics includes advantages from both the Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics and it is applicable for almost the whole range of substrate and enzyme abundances, land biogeochemical modelers therefore no longer need to choose when to use the Michaelis–Menten kinetics or the reverse Michaelis–Menten kinetics. I expect that removing this choice ambiguity will make it easier to formulate more robust and consistent land biogeochemical models.« less

Kinetic changes in tetanic Ca2+ transients in enzymatically dissociated muscle fibres under repetitive stimulation

PubMed Central

Calderón, Juan C; Bolaños, Pura; Caputo, Carlo

2011-01-01

Abstract We used enzymatically dissociated flexor digitorum brevis (FDB) and soleus fibres loaded with the fast Ca2+ dye Magfluo-4 AM, and adhered to Laminin, to test whether repetitive stimulation induces progressive changes in the kinetics of Ca2+ release and reuptake in a fibre-type-dependent fashion. We applied a protocol of tetani of 350 ms, 100 Hz, every 4 s to reach a mean amplitude reduction of 25% of the first peak. Morphology type I (MT-I) and morphology type II (MT-II) fibres underwent a total of 96 and 52.8 tetani (P < 0.01 between groups), respectively. The MT-II fibres (n = 18) showed significant reductions of the amplitude (19%), an increase in rise time (8.5%) and a further reduction of the amplitude/rise time ratio (25.5%) of the first peak of the tetanic transient after 40 tetani, while MT-I fibres (n = 5) did not show any of these changes. However, both fibre types showed significant reductions in the maximum rate of rise of the first peak after 40 tetani. Two subpopulations among the MT-II fibres could be distinguished according to Ca2+ reuptake changes. Fast-fatigable MT-II fibres (fMT-II) showed an increase of 32.2% in the half-width value of the first peak, while for fatigue-resistant MT-II fibres (rMT-II), the increase amounted to 6.9%, both after 40 tetani. Significant and non-significant increases of 36.4% and 11.9% in the first time constant of decay (t1) values were seen after 40 tetani in fMT-II and rMT-II fibres, respectively. MT-I fibres did not show kinetic changes in any of the Ca2+ reuptake variables. All changes were reversed after an average recovery of 7.5 and 15.4 min for MT-I and MT-II fibres, respectively. Further experiments ruled out the possibility that the differences in the kinetic changes of the first peak of the Ca2+ transients between fibres MT-I and MT-II could be related to the inactivation of Ca2+ release mechanism. In conclusion, we established a model of enzymatically dissociated fibres, loaded with Magfluo-4 and adhered to Laminin, to study muscle fatigue and demonstrated fibre-type-dependent, fatigue-induced kinetic changes in both Ca2+ release and reuptake. PMID:21878526

Kinetic study of alkaline protease 894 for the hydrolysis of the pearl oyster Pinctada martensii

NASA Astrophysics Data System (ADS)

Chen, Xin; Chen, Hua; Cai, Bingna; Liu, Qingqin; Sun, Huili

2013-05-01

A new enzyme (alkaline protease 894) obtained from the marine extremophile Flavobacterium yellowsea (YS-80-122) has exhibited strong substrate-binding and catalytic activity, even at low temperature, but the characteristics of the hydrolysis with this enzyme are still unclear. The pearl oyster Pinctada martensii was used in this study as the raw material to illustrate the kinetic properties of protease 894. After investigating the intrinsic relationship between the degree of hydrolysis and several factors, including initial reaction pH, temperature, substrate concentration, enzyme concentration, and hydrolysis time, the kinetics model was established. This study showed that the optimal conditions for the enzymatic hydrolysis were an initial reaction pH of 5.0, temperature of 30°C, substrate concentration of 10% (w/v), enzyme concentration of 2 500 U/g, and hydrolysis time of 160 min. The kinetic characteristics of the protease for the hydrolysis of P. martensii were obtained. The inactivation constant was found to be 15.16/min, and the average relative error between the derived kinetics model and the actual measurement was only 3.04%, which indicated a high degree of fitness. Therefore, this study provides a basis for the investigation of the concrete kinetic characteristics of the new protease, which has potential applications in the food industry.

Mechanistic study of manganese-substituted glycerol dehydrogenase using a kinetic and thermodynamic analysis.

PubMed

Fang, Baishan; Niu, Jin; Ren, Hong; Guo, Yingxia; Wang, Shizhen

2014-01-01

Mechanistic insights regarding the activity enhancement of dehydrogenase by metal ion substitution were investigated by a simple method using a kinetic and thermodynamic analysis. By profiling the binding energy of both the substrate and product, the metal ion's role in catalysis enhancement was revealed. Glycerol dehydrogenase (GDH) from Klebsiella pneumoniae sp., which demonstrated an improvement in activity by the substitution of a zinc ion with a manganese ion, was used as a model for the mechanistic study of metal ion substitution. A kinetic model based on an ordered Bi-Bi mechanism was proposed considering the noncompetitive product inhibition of dihydroxyacetone (DHA) and the competitive product inhibition of NADH. By obtaining preliminary kinetic parameters of substrate and product inhibition, the number of estimated parameters was reduced from 10 to 4 for a nonlinear regression-based kinetic parameter estimation. The simulated values of time-concentration curves fit the experimental values well, with an average relative error of 11.5% and 12.7% for Mn-GDH and GDH, respectively. A comparison of the binding energy of enzyme ternary complex for Mn-GDH and GDH derived from kinetic parameters indicated that metal ion substitution accelerated the release of dioxyacetone. The metal ion's role in catalysis enhancement was explicated.

Gyrokinetic water-bag modeling of a plasma column: Magnetic moment distribution and finite Larmor radius effects

NASA Astrophysics Data System (ADS)

Klein, R.; Gravier, E.; Morel, P.; Besse, N.; Bertrand, P.

2009-08-01

Describing turbulent transport in fusion plasmas is a major concern in magnetic confinement fusion. It is now widely known that kinetic and fluid descriptions can lead to significantly different properties. Although more accurate, the kinetic calculation of turbulent transport is much more demanding of computer resources than fluid simulations. An alternative approach is based on a water-bag representation of the distribution function that is not an approximation but rather a special class of initial conditions, allowing one to reduce the full kinetic Vlasov equation into a set of hydrodynamics equations while keeping its kinetic character [P. Morel, E. Gravier, N. Besse et al., Phys. Plasmas 14, 112109 (2007)]. In this paper, the water-bag concept is used in a gyrokinetic context to study finite Larmor radius effects with the possibility of using the full Larmor radius distribution instead of an averaged Larmor radius. The resulting model is used to study the ion temperature gradient (ITG) instability.

Validity of student’s misconceptions diagnosis on chapter Kinetic Theory of Gases using three-tier diagnostic test

NASA Astrophysics Data System (ADS)

Jauhariyah, M. N. R.; Zulfa, I.; Harizah, Z.; Setyarsih, W.

2018-04-01

In the learning process, students still have misconceptions although the concept has been taught by the teacher. One of the causes of misconceptions comes from the students themselves. The teacher often does not know that students have misconceptions because the assessment that has been given does not review the cause of misconception that occurs in students. Students have misconception especially in Abstract concept like in chapter Kinetic Theory of Gases. Because of that, this study made three tier diagnostic instrument test to diagnose student’s misconception in chapter Kinetic Theory of Gases. Moreover, it is also done an analysis in order to know the quality of instrument that has been made. According to the trials, the percentage of average internal validity is about 84.6% which means it is in proper to use and the reliability of instrument is 0.752, meaning reliable to use. This instrument used to diagnose the students’ misconceptions on chapter Kinetic Theory of Gases.

Solvolysis kinetics of three components of biomass using polyhydric alcohols as solvents.

PubMed

Shi, Yan; Xia, Xueying; Li, Jingdan; Wang, Jing; Zhao, Tiantian; Yang, Hongmin; Jiang, Jianchun; Jiang, Xiaoxiang

2016-12-01

The solvolysis behavior and reaction kinetics of the three components of biomass (cellulose, hemicelluloses and lignin) liquefied in polyhydric alcohols (PEG 400 or glycerol) were investigated in this paper. Three stages were observed during the solvolysis process and the main degradation stage could be further divided into two zones. The influences of solvents on the liquefaction process of three main components were compared. Based on Starink and Malek methods, kinetic parameters and mechanism functions were obtained. The derived average activation energy of cellulose, hemicellulose and lignin were 108.73, 95.66 and 94.13kJmol -1 in PEG 400, while the values were 102.16, 77.43 and 89.10kJmol -1 in glycerol, respectively. Higher efficiency was observed when using glycerol as solvent, which could be ascribed to the higher polarity value of glycerol. The conversion curves calculated with obtained mechanism models and kinetic parameters were in good agreement with the experimental data. Copyright © 2016 Elsevier Ltd. All rights reserved.

Charging of nanoparticles in stationary plasma in a gas aggregation cluster source

NASA Astrophysics Data System (ADS)

Blažek, J.; Kousal, J.; Biederman, H.; Kylián, O.; Hanuš, J.; Slavínská, D.

2015-10-01

Clusters that grow into nanoparticles near the magnetron target of the gas aggregation cluster source (GAS) may acquire electric charge by collecting electrons and ions or through other mechanisms like secondary- or photo-electron emissions. The region of the GAS close to magnetron may be considered as stationary plasma. The steady state charge distribution on nanoparticles can be determined by means of three possible models—fluid model, kinetic model and model employing Monte Carlo simulations—of cluster charging. In the paper the mathematical and numerical aspects of these models are analyzed in detail and close links between them are clarified. Among others it is shown that Monte Carlo simulation may be considered as a particular numerical technique of solving kinetic equations. Similarly the equations of the fluid model result, after some approximation, from averaged kinetic equations. A new algorithm solving an in principle unlimited set of kinetic equations is suggested. Its efficiency is verified on physical models based on experimental input data.

Fission fragment yields and total kinetic energy release in neutron-induced fission of235,238U,and239Pu

NASA Astrophysics Data System (ADS)

Tovesson, F.; Duke, D.; Geppert-Kleinrath, V.; Manning, B.; Mayorov, D.; Mosby, S.; Schmitt, K.

2018-03-01

Different aspects of the nuclear fission process have been studied at Los Alamos Neutron Science Center (LANSCE) using various instruments and experimental techniques. Properties of the fragments emitted in fission have been investigated using Frisch-grid ionization chambers, a Time Projection Chamber (TPC), and the SPIDER instrument which employs the 2v-2E method. These instruments and experimental techniques have been used to determine fission product mass yields, the energy dependent total kinetic energy (TKE) release, and anisotropy in neutron-induced fission of U-235, U-238 and Pu-239.

Pattern, growth, and aging in aggregation kinetics of a Vicsek-like active matter model

NASA Astrophysics Data System (ADS)

Das, Subir K.

2017-01-01

Via molecular dynamics simulations, we study kinetics in a Vicsek-like phase-separating active matter model. Quantitative results, for isotropic bicontinuous pattern, are presented on the structure, growth, and aging. These are obtained via the two-point equal-time density-density correlation function, the average domain length, and the two-time density autocorrelation function. Both the correlation functions exhibit basic scaling properties, implying self-similarity in the pattern dynamics, for which the average domain size exhibits a power-law growth in time. The equal-time correlation has a short distance behavior that provides reasonable agreement between the corresponding structure factor tail and the Porod law. The autocorrelation decay is a power-law in the average domain size. Apart from these basic similarities, the overall quantitative behavior of the above-mentioned observables is found to be vastly different from those of the corresponding passive limit of the model which also undergoes phase separation. The functional forms of these have been quantified. An exceptionally rapid growth in the active system occurs due to fast coherent motion of the particles, mean-squared-displacements of which exhibit multiple scaling regimes, including a long time ballistic one.

Investigation of the heavy nuclei fission with anomalously high values of the fission fragments total kinetic energy

NASA Astrophysics Data System (ADS)

Khryachkov, Vitaly; Goverdovskii, Andrei; Ketlerov, Vladimir; Mitrofanov, Vecheslav; Sergachev, Alexei

2018-03-01

Binary fission of 232Th and 238U induced by fast neutrons were under intent investigation in the IPPE during recent years. These measurements were performed with a twin ionization chamber with Frisch grids. Signals from the detector were digitized for further processing with a specially developed software. It results in information of kinetic energies, masses, directions and Bragg curves of registered fission fragments. Total statistics of a few million fission events were collected during each experiment. It was discovered that for several combinations of fission fragment masses their total kinetic energy was very close to total free energy of the fissioning system. The probability of such fission events for the fast neutron induced fission was found to be much higher than for spontaneous fission of 252Cf and thermal neutron induced fission of 235U. For experiments with 238U target the energy of incident neutrons were 5 MeV and 6.5 MeV. Close analysis of dependence of fission fragment distribution on compound nucleus excitation energy gave us some explanation of the phenomenon. It could be a process in highly excited compound nucleus which leads the fissioning system from the scission point into the fusion valley with high probability.

Organoporosity Evaluation of Shale: A Case Study of the Lower Silurian Longmaxi Shale in Southeast Chongqing, China

PubMed Central

Chen, Fangwen; Lu, Shuangfang; Ding, Xue

2014-01-01

The organopores play an important role in determining total volume of hydrocarbons in shale gas reservoir. The Lower Silurian Longmaxi Shale in southeast Chongqing was selected as a case to confirm the contribution of organopores (microscale and nanoscale pores within organic matters in shale) formed by hydrocarbon generation to total volume of hydrocarbons in shale gas reservoir. Using the material balance principle combined with chemical kinetics methods, an evaluation model of organoporosity for shale gas reservoirs was established. The results indicate that there are four important model parameters to consider when evaluating organoporosity in shale: the original organic carbon (w(TOC0)), the original hydrogen index (I H0), the transformation ratio of generated hydrocarbon (F(R o)), and the organopore correction coefficient (C). The organoporosity of the Lower Silurian Longmaxi Shale in the Py1 well is from 0.20 to 2.76%, and the average value is 1.25%. The organoporosity variation trends and the residual organic carbon of Longmaxi Shale are consistent in section. The residual organic carbon is indicative of the relative levels of organoporosity, while the samples are in the same shale reservoirs with similar buried depths. PMID:25184155

Energy transfer and kinetics in mechanochemistry.

PubMed

Chen, Zhiliang; Lu, Shengyong; Mao, Qiongjing; Buekens, Alfons; Wang, Yuting; Yan, Jianhua

2017-11-01

Mechanochemistry (MC) exerts extraordinary degradation and decomposition effects on many chlorinated, brominated, and even fluorinated persistent organic pollutants (POPs). However, its application is still limited by inadequate study of its reaction kinetic aspects. In the present work, the ball motion and energy transfer in planetary ball mill are investigated in some detail. Almost all milling parameters are summarised in a single factor-total effective impact energy. Furthermore, the MC kinetic between calcium oxide/Al and hexachlorobenzene is well established and modelled. The results indicate that total effective impact energy and reagent ratio are the two factors sufficient for describing the MC degradation degree of POPs. The reaction rate constant only depends on the chemical properties of reactants, so it could be used as an important index to appraise the quality of MC additives. This model successfully predicts the reaction rate for different operating conditions, indicating that it could be suitably applied for conducting MC reactions in other reactors.

Bulk chlorine uptake by polyamide active layers of thin-film composite membranes upon exposure to free chlorine-kinetics, mechanisms, and modeling.

PubMed

Powell, Joshua; Luh, Jeanne; Coronell, Orlando

2014-01-01

We studied the volume-averaged chlorine (Cl) uptake into the bulk region of the aromatic polyamide active layer of a reverse osmosis membrane upon exposure to free chlorine. Volume-averaged measurements were obtained using Rutherford backscattering spectrometry with samples prepared at a range of free chlorine concentrations, exposure times, and mixing, rinsing, and pH conditions. Our volume-averaged measurements complement previous studies that have quantified Cl uptake at the active layer surface (top ≈ 7 nm) and advance the mechanistic understanding of Cl uptake by aromatic polyamide active layers. Our results show that surface Cl uptake is representative of and underestimates volume-averaged Cl uptake under acidic conditions and alkaline conditions, respectively. Our results also support that (i) under acidic conditions, N-chlorination followed by Orton rearrangement is the dominant Cl uptake mechanism with N-chlorination as the rate-limiting step; (ii) under alkaline conditions, N-chlorination and dechlorination of N-chlorinated amide links by hydroxyl ion are the two dominant processes; and (iii) under neutral pH conditions, the rates of N-chlorination and Orton rearrangement are comparable. We propose a kinetic model that satisfactorily describes Cl uptake under acidic and alkaline conditions, with the largest discrepancies between model and experiment occurring under alkaline conditions at relatively high chlorine exposures.

Atmospheric Transformation of Volatile Organic Compounds

DTIC Science & Technology

2008-03-01

Study Analysis Reactant mixtures and standards from product identification experiments were sampled by exposing a 100% polydimethylsiloxane solid...later using the DNPH derivatization method described above and confirmed against a commercial standard. HPLC analysis of the DNPH cartridges also...reaction mixture for a combined total photolysis time ofapproximately 50 seconds. 2.3. Kinetic Study Analysis Samples from kinetic studies were

Statistical properties of kinetic and total energy densities in reverberant spaces.

PubMed

Jacobsen, Finn; Molares, Alfonso Rodríguez

2010-04-01

Many acoustical measurements, e.g., measurement of sound power and transmission loss, rely on determining the total sound energy in a reverberation room. The total energy is usually approximated by measuring the mean-square pressure (i.e., the potential energy density) at a number of discrete positions. The idea of measuring the total energy density instead of the potential energy density on the assumption that the former quantity varies less with position than the latter goes back to the 1930s. However, the phenomenon was not analyzed until the late 1970s and then only for the region of high modal overlap, and this analysis has never been published. Moreover, until fairly recently, measurement of the total sound energy density required an elaborate experimental arrangement based on finite-difference approximations using at least four amplitude and phase matched pressure microphones. With the advent of a three-dimensional particle velocity transducer, it has become somewhat easier to measure total rather than only potential energy density in a sound field. This paper examines the ensemble statistics of kinetic and total sound energy densities in reverberant enclosures theoretically, experimentally, and numerically.

Scrape-off layer modeling with kinetic or diffusion description of charge-exchange atoms

NASA Astrophysics Data System (ADS)

Tokar, M. Z.

2016-12-01

Hydrogen isotope atoms, generated by charge-exchange (c-x) of neutral particles recycling from the first wall of a fusion reactor, are described either kinetically or in a diffusion approximation. In a one-dimensional (1-D) geometry, kinetic calculations are accelerated enormously by applying an approximate pass method for the assessment of integrals in the velocity space. This permits to perform an exhaustive comparison of calculations done with both approaches. The diffusion approximation is deduced directly from the velocity distribution function of c-x atoms in the limit of charge-exchanges with ions occurring much more frequently than ionization by electrons. The profiles across the flux surfaces of the plasma parameters averaged along the main part of the scrape-off layer (SOL), beyond the X-point and divertor regions, are calculated from the one-dimensional equations where parallel flows of charged particles and energy towards the divertor are taken into account as additional loss terms. It is demonstrated that the heat losses can be firmly estimated from the SOL averaged parameters only; for the particle loss the conditions in the divertor are of importance and the sensitivity of the results to the so-called "divertor impact factor" is investigated. The coupled 1-D models for neutral and charged species, with c-x atoms described either kinetically or in the diffusion approximation, are applied to assess the SOL conditions in a fusion reactor, with the input parameters from the European DEMO project. It is shown that the diffusion approximation provides practically the same profiles across the flux surfaces for the plasma density, electron, and ion temperatures, as those obtained with the kinetic description for c-x atoms. The main difference between the two approaches is observed in the characteristics of these species themselves. In particular, their energy flux onto the wall is underestimated in calculations with the diffusion approximation by 20 % - 30 % . This discrepancy can be significantly reduced if after the convergence of coupled plasma-neutral calculations, the final computation for c-x atoms is done kinetically.

Potential of hydrolysis of particulate COD in extended anaerobic conditions to enhance biological phosphorous removal.

PubMed

Jabari, P; Yuan, Q; Oleszkiewicz, J A

2016-11-01

The effect of anaerobic hydrolysis of particulate COD (pCOD) on biological phosphorous removal in extended anaerobic condition was investigated through (i) sequencing batch reactors (SBR)s with anaerobic hydraulic retention time (HRT) of 0.8, 2, and 4 h; (ii) batch tests using biomass from a full scale biological nutrient removal (BNR) plant; and (iii) activated sludge modeling (BioWin 4.1 simulation). The results from long-term SBRs operation showed that phosphorus removal was correlated to the ratio of filtered COD (FCOD) to total phosphorus (TP) in the influent. Under conditions with low FCOD/TP ratio (average of 20) in the influent, extending anaerobic HRT to 4 h in the presence of pCOD did not significantly improve overall phosphorous removal. During the period with high FCOD/TP ratio (average of 37) in the influent, all SBRs removed phosphorous completely, and the long anaerobic HRT did not have negative effect on overall phosphorous removal. The batch tests also showed that pCOD at different concentration during 4 h test did not affect the rate of anaerobic phosphorus release. The rate of anaerobic hydrolysis of pCOD was significantly low and extending the anaerobic HRT was ineffective. The simulation (BioWin 4.1) of SBRs with low influent FCOD/TP ratio showed that the default kinetics of anaerobic hydrolysis in ASM2d overestimated phosphorous removal in the SBRs (high anaerobic hydrolysis of pCOD). The default anaerobic hydrolysis rate in BioWin 4.1 (ten times lower) could produce similar phosphorous removal to that in the experiment. Results showed that the current kinetics of anaerobic hydrolysis in ASM2d could lead to considerable error in predicting phosphorus removal in processes with extended anaerobic HRT. Biotechnol. Bioeng. 2016;113: 2377-2385. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

A Model for Partitioning CO2 Flux and Calculating Transformation of Soil C Fractions

NASA Astrophysics Data System (ADS)

Zhang, S.; Noormets, A.; Tu, C.; King, J.

2011-12-01

It has been recognized that mechanistic understanding of soil organic carbon (SOC) mineralization requires partitioning of SOM to different sub-pools, whose turnover kinetics differ. Different fractionation methods have been developed to separate and analyze SOC fractions with different turnover rates, but some recent studies have called to questions earlier assumptions about chemical structure of C compounds and their recalcitrance to decomposition. To our knowledge, there is also no model that would bring together the information on various indicators of recalcitrance in a kinetic model framework . Here we deploy an analytical framework to partition soil net CO2 emissions to three density fractions (F1, F2, and F3, in the order of increasing density) in a peat soil and follow mineralization-related transformations (from lighter to heavier fractions). We followed the changes in total C content [C] and 13C of each three density fractions through a 3-month incubation study. We partitioned the CO2 produced by the soil between the different fractions using 13C and [C] change data. Applying this approach to a factorial experiment, we found that partitioning of CO2 emission and transformation rates among fractions differed between the organic top soil and deeper sandy soil. At depth of 45-75cm, almost no C was released through CO2 emission for all three fractions, while at 0-30cm, emission reached 0.2 g C/g soil over the incubation period, an average of 99% of which was from F2. Mineralization-related transformation rate at 45-75cm was 0.02 g soil/g soil with no significant differences among fractions. At 0-30cm, out of one gram of initial bulk soil, an average of 0.31g F1 transformed to F2, whereas no F2 was transformed to F3. Although the current study was carried out on a high-organic soil, the partitioning method is applicable to all soil types.

Relativistic differential-difference momentum operators and noncommutative differential calculus

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

Mir-Kasimov, R. M., E-mail: mirkr@theor.jinr.ru

2013-09-15

The relativistic kinetic momentum operators are introduced in the framework of the Quantum Mechanics (QM) in the Relativistic Configuration Space (RCS). These operators correspond to the half of the non-Euclidean distance in the Lobachevsky momentum space. In terms of kinetic momentum operators the relativistic kinetic energy is separated as the independent term of the total Hamiltonian. This relativistic kinetic energy term is not distinguishing in form from its nonrelativistic counterpart. The role of the plane wave (wave function of the motion with definite value of momentum and energy) plays the generating function for the matrix elements of the unitary irrepsmore » of Lorentz group (generalized Jacobi polynomials). The kinetic momentum operators are the interior derivatives in the framework of the noncommutative differential calculus over the commutative algebra generated by the coordinate functions over the RCS.« less

Kinetic energy budgets near the turbulent/nonturbulent interface in jets

NASA Astrophysics Data System (ADS)

Taveira, Rodrigo R.; da Silva, Carlos B.

2013-01-01

The dynamics of the kinetic energy near the turbulent/nonturbulent (T/NT) interface separating the turbulent from the irrotational flow regions is analysed using three direct numerical simulations of turbulent planar jets, with Reynolds numbers based on the Taylor micro-scale across the jet shear layer in the range Reλ ≈ 120-160. Important levels of kinetic energy are already present in the irrotational region near the T/NT interface. The mean pressure and kinetic energy are well described by the Bernoulli equation in this region and agree with recent results obtained from rapid distortion theory in the turbulent region [M. A. C. Teixeira and C. B. da Silva, "Turbulence dynamics near a turbulent/non-turbulent interface," J. Fluid Mech. 695, 257-287 (2012)], 10.1017/jfm.2012.17 while the normal Reynolds stresses agree with the theoretical predictions from Phillips ["The irrotational motion outside a free turbulent boundary," Proc. Cambridge Philos. Soc. 51, 220 (1955)], 10.1017/S0305004100030073. The use of conditional statistics in relation to the distance from the T/NT interface allow a detailed study of the build up of kinetic energy across the T/NT interface, pointing to a very different picture than using classical statistics. Conditional kinetic energy budgets show that apart from the viscous dissipation of kinetic energy, the maximum of all the mechanisms governing the kinetic energy are concentrated in a very narrow region distancing about one to two Taylor micro-scales from the T/NT interface. The (total and fluctuating) kinetic energy starts increasing in the irrotational region by pressure-velocity interactions - a mechanism that can act at distance, and continue to grow by advection (for the total kinetic energy) and turbulent diffusion (for the turbulent kinetic energy) inside the turbulent region. These mechanisms tend to occur preferentially around the core of the large-scale vortices existing near T/NT interface. The production of turbulent kinetic energy then becomes the dominating mechanism and the so called "peak production" is located at about one Taylor micro-scale from the T/NT interface. Simple analytical estimates are given for the peaks of pressure strain, turbulent diffusion, and production near the T/NT interface. The growth of kinetic energy across the T/NT interface is an inertial process, since the viscous terms (diffusion and dissipation) are negligible during this process. The present results highlight the importance of the region near the T/NT interface in the entire jet development.

Ion kinetic dynamics in strongly-shocked plasmas relevant to ICF

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

Rinderknecht, H. G.; Amendt, P. A.; Rosenberg, M. J.

Implosions of thin-shell capsules produce strongly-shocked (M > 10), low-density (ρ ~1 mg/cc -1), high-temperature (T i ~keV) plasmas, comparable to those produced in the strongly-shocked DT-vapor in inertial confinement fusion (ICF) experiments. A series of thin-glass targets filled with mixtures of deuterium and Helium-3 gas ranging from 7% to 100% deuterium was imploded to investigate the impact of multi-species ion kinetic mechanisms in ICF-relevant plasmas over a wide range of Knudsen numbers (N K ≡ λ ii/R). Anomalous trends in nuclear yields and burn-averaged ion temperatures in implosions with N K > 0.5, which have been interpreted as signaturesmore » of ion species separation and ion thermal decoupling, are found not to be consistent with single-species ion kinetic effects alone. Experimentally inferred Knudsen numbers predict an opposite yield trend to those observed, confirming the dominance of multi-species physics in these experiments. In contrast, implosions with N K ~ 0.01 follow the expected yield trend, suggesting single-species kinetic effects are dominant. In conclusion, the impact of the observed kinetic physics mechanisms on the formation of the hotspot in ICF experiments is discussed.« less

Kinetic physics in ICF: present understanding and future directions

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

Rinderknecht, Hans G.; Amendt, P. A.; Wilks, S. C.

Kinetic physics has the potential to impact the performance of indirect-drive inertial confinement fusion (ICF) experiments. Systematic anomalies in the National Ignition Facility implosion dataset have been identified in which kinetic physics may play a role, including inferred missing energy in the hohlraum, drive asymmetry in near-vacuum hohlraums, low areal density and high burn-averaged ion temperatures (T i ) compared with mainline simulations, and low ratios of the DD-neutron and DT-neutron yields and inferred T i . Several components of ICF implosions are likely to be influenced or dominated by kinetic physics: laser-plasma interactions in the LEH and hohlraum interior;more » the hohlraum wall blowoff, blowoff/gas and blowoff/ablator interfaces; the ablator and ablator/ice interface; and the DT fuel all present conditions in which kinetic physics can significantly affect the dynamics. This review presents the assembled experimental data and simulation results to date, which indicate that the effects of long mean-free-path plasma phenomena and self-generated electromagnetic fields may have a significant impact in ICF targets. Finally, simulation and experimental efforts are proposed to definitively quantify the importance of these effects at ignition-relevant conditions, including priorities for ongoing study.« less

Kinetic physics in ICF: present understanding and future directions

DOE PAGES

Rinderknecht, Hans G.; Amendt, P. A.; Wilks, S. C.; ...

2018-03-19

Kinetic physics has the potential to impact the performance of indirect-drive inertial confinement fusion (ICF) experiments. Systematic anomalies in the National Ignition Facility implosion dataset have been identified in which kinetic physics may play a role, including inferred missing energy in the hohlraum, drive asymmetry in near-vacuum hohlraums, low areal density and high burn-averaged ion temperatures (T i ) compared with mainline simulations, and low ratios of the DD-neutron and DT-neutron yields and inferred T i . Several components of ICF implosions are likely to be influenced or dominated by kinetic physics: laser-plasma interactions in the LEH and hohlraum interior;more » the hohlraum wall blowoff, blowoff/gas and blowoff/ablator interfaces; the ablator and ablator/ice interface; and the DT fuel all present conditions in which kinetic physics can significantly affect the dynamics. This review presents the assembled experimental data and simulation results to date, which indicate that the effects of long mean-free-path plasma phenomena and self-generated electromagnetic fields may have a significant impact in ICF targets. Finally, simulation and experimental efforts are proposed to definitively quantify the importance of these effects at ignition-relevant conditions, including priorities for ongoing study.« less

Kinetic physics in ICF: present understanding and future directions

NASA Astrophysics Data System (ADS)

Rinderknecht, Hans G.; Amendt, P. A.; Wilks, S. C.; Collins, G.

2018-06-01

Kinetic physics has the potential to impact the performance of indirect-drive inertial confinement fusion (ICF) experiments. Systematic anomalies in the National Ignition Facility implosion dataset have been identified in which kinetic physics may play a role, including inferred missing energy in the hohlraum, drive asymmetry in near-vacuum hohlraums, low areal density and high burn-averaged ion temperatures (〈Ti 〉) compared with mainline simulations, and low ratios of the DD-neutron and DT-neutron yields and inferred 〈Ti 〉. Several components of ICF implosions are likely to be influenced or dominated by kinetic physics: laser-plasma interactions in the LEH and hohlraum interior; the hohlraum wall blowoff, blowoff/gas and blowoff/ablator interfaces; the ablator and ablator/ice interface; and the DT fuel all present conditions in which kinetic physics can significantly affect the dynamics. This review presents the assembled experimental data and simulation results to date, which indicate that the effects of long mean-free-path plasma phenomena and self-generated electromagnetic fields may have a significant impact in ICF targets. Simulation and experimental efforts are proposed to definitively quantify the importance of these effects at ignition-relevant conditions, including priorities for ongoing study.

The role of kinetic ion physics in the interaction of magnetic islands

NASA Astrophysics Data System (ADS)

Stanier, A.

2016-12-01

Magnetic islands are two-dimensional representations of magnetic flux-ropes, a fundamental building block of magnetized plasmas. Here we model magnetic reconnection during the coalescence of magnetic islands with a range of guide fields that have application to the Earth's magnetosphere. It is demonstrated that the Hall-MHD model is able to reproduce the reconnection rates of the fully kinetic system only in the presence of a fairly strong guide field (Bg≥ 3Bx). In the weak guide field limit non-isotropic ion pressure tensor effects that are missing from Hall-MHD are crucial to describe many key features of this reconnection test-problem [1], including the peak and average rates, pile-up field, outflow velocity, and global evolution of the system. A hybrid model which retains the full kinetic physics for ions along with mass-less fluid electrons gives good agreement with fully kinetic results for the full range of guide fields considered. These results suggest that kinetic ions may be important for a large number of reconnection events in the Earth's magnetosphere. References: [1] A. Stanier, W. Daughton, L. Chacon, H. Karimabadi, J. Ng, Y.-M. Huang, A. Hakim, and A. Bhattacharjee, Phys. Rev. Lett. 115, 175004 (2015).

Ion kinetic dynamics in strongly-shocked plasmas relevant to ICF

DOE PAGES

Rinderknecht, H. G.; Amendt, P. A.; Rosenberg, M. J.; ...

2017-04-20

Implosions of thin-shell capsules produce strongly-shocked (M > 10), low-density (ρ ~1 mg/cc -1), high-temperature (T i ~keV) plasmas, comparable to those produced in the strongly-shocked DT-vapor in inertial confinement fusion (ICF) experiments. A series of thin-glass targets filled with mixtures of deuterium and Helium-3 gas ranging from 7% to 100% deuterium was imploded to investigate the impact of multi-species ion kinetic mechanisms in ICF-relevant plasmas over a wide range of Knudsen numbers (N K ≡ λ ii/R). Anomalous trends in nuclear yields and burn-averaged ion temperatures in implosions with N K > 0.5, which have been interpreted as signaturesmore » of ion species separation and ion thermal decoupling, are found not to be consistent with single-species ion kinetic effects alone. Experimentally inferred Knudsen numbers predict an opposite yield trend to those observed, confirming the dominance of multi-species physics in these experiments. In contrast, implosions with N K ~ 0.01 follow the expected yield trend, suggesting single-species kinetic effects are dominant. In conclusion, the impact of the observed kinetic physics mechanisms on the formation of the hotspot in ICF experiments is discussed.« less

Nucleation and growth kinetics during metal-induced layer exchange crystallization of Ge thin films at low temperatures

NASA Astrophysics Data System (ADS)

Hu, Shu; McIntyre, Paul C.

2012-02-01

The kinetics of Al-catalyzed layer exchange crystallization of amorphous germanium (Ge) thin films at low temperatures is reported. Observation of Ge mass transport from an underlying amorphous Ge layer to the Al film surface through an interposed sub-nanometer GeOx interfacial layer allows independent measurement of the areal density and average area of crystalline Ge islands formed on the film surface. We show that bias-voltage stressing of the interfacial layer can be used to control the areal density of nucleated Ge islands. Based on experimental observations, the Johnson-Mehl-Avrami-Kolmogorov phase transformation theory is used to model nanoscale nucleation and growth of Ge islands in two dimensions. Ge island nucleation kinetics follows an exponentially decaying nucleation rate with time. Ge island growth kinetics switches from linear growth at a constant growth velocity to diffusion-limited growth as the growth front advances. The transition point between these two regimes depends on the Ge nucleation site density and the annealing temperature. Knowledge of the kinetics of low-temperature crystallization is important in achieving textured polycrystalline Ge thin films with large grains for applications in large-area electronics and solar energy conversion.

Mass transfer equation for proteins in very high-pressure liquid chromatography.

PubMed

Gritti, Fabrice; Guiochon, Georges

2009-04-01

The mass transfer kinetics of human insulin was investigated on a 50 mm x 2.1 mm column packed with 1.7 microm BEH-C(18) particles, eluted with a water/acetonitrile/trifluoroacetic acid (TFA) (68/32/0.1, v/v/v) solution. The different contributions to the mass transfer kinetics, e.g., those of longitudinal diffusion, eddy dispersion, the film mass transfer resistance, cross-particle diffusivity, adsorption-desorption kinetics, and transcolumn differential sorption, were incorporated into a general mass transfer equation designed to account for the mass transfer kinetics of proteins under high pressure. More specifically, this equation includes the effects of pore size exclusion, pressure, and temperature on the band broadening of a protein. The flow rate was first increased from 0.001 to 0.250 mL/min, the pressure drop increasing from 2 to 298 bar, and the column being placed in stagnant air at 296.5 K, in order to determine the effective diffusivity of insulin through the porous particles, the mass transfer rate constants, and the adsorption equilibrium constant in the low-pressure range. Then, the column inlet pressure was increased by using capillary flow restrictors downstream the column, at the constant flow rate of 0.03 mL/min. The column temperature was kept uniform by immersing the column in a circulating water bath thermostatted at 298.7 and 323.15 K, successively. The results showed that the surface diffusion coefficient of insulin decreases faster than its bulk diffusion coefficient with increasing average column pressure. This is consistent with the adsorption energy of insulin onto the BEH-C(18) surface increasing strongly with increasing pressure. In contrast, given the precision of the height equivalent to a theoretical plate (HETP) measurement (+/-12%), the adsorption kinetics of insulin appears to be rather independent of the pressure. On average, the adsorption rate constant of insulin is doubled from about 40 to 80 s(-1) when the temperature increases from 298.7 to 323.15 K.

Comparison of high-pressure liquid chromatography and microbiological assay for the determination of biliary elimination of ciprofloxacin in humans.

PubMed Central

Brogard, J M; Jehl, F; Monteil, H; Adloff, M; Blickle, J F; Levy, P

1985-01-01

Serum kinetics and biliary, urinary, and fecal elimination of ciprofloxacin, a new quinolone derivative, were studied in 12 recently cholecystectomized patients provided with T-tube drainage during 24 h after oral administration of a single 500-mg dose of this substance. Drug concentrations were measured by both high-pressure liquid chromatography (HPLC) and microbiological assay. The results were comparable for the concentrations in serum (average of peaks, 2.0 +/- 0.2 micrograms/ml by HPLC and 2.3 +/- 0.3 micrograms/ml by the microbiological method) and urine (0 to 6 h, 267 +/- 74 and 241 +/- 58 micrograms/ml, respectively). This was not the case for biliary values, for which the microbiological assay yielded significantly higher concentrations than did HPLC (average of peak concentrations, 21.2 +/- 2.6 and 16.0 +/- 2.5 micrograms/ml, respectively [P less than 0.02]), nor for total 24-h biliary output (2,167 +/- 288 and 1,587 +/- 222 micrograms, respectively [P less than 0.01]). This suggests hepatic biotransformation of ciprofloxacin into microbiologically active metabolites. The apparent broad antibacterial spectrum of ciprofloxacin and its higher biliary levels than simultaneously determined serum concentrations suggest that this derivative is suitable for the treatment of biliary tract infections. PMID:2939796

DNA Walkers as Transport Vehicles of Nanoparticles Along a Carbon Nanotube Track.

PubMed

Pan, Jing; Cha, Tae-Gon; Chen, Haorong; Li, Feiran; Choi, Jong Hyun

2017-01-01

DNA-based molecular motors are synthetic analogs of naturally occurring protein motors. Typical DNA walkers are constructed from synthetic short DNA strands and are powered by various free energy changes during hybridization reactions. Due to the constraints set by their small physical dimension and slow kinetics, most DNA walkers are characterized by ensemble measurements that result in averaged kinetics data. Here we present a synthetic DNA walker system that exploits the extraordinary physicochemical properties of nanomaterials and the functionalities of DNA molecules, which enables real-time control and monitoring of single-DNA walkers over an extended period.

Implementation of ECIRR model based on virtual simulation media to reduce students’ misconception on kinetic theory of gases

NASA Astrophysics Data System (ADS)

Prastiwi, A. C.; Kholiq, A.; Setyarsih, W.

2018-03-01

The purposed of this study are to analyse reduction of students’ misconceptions after getting ECIRR with virtual simulation. The design of research is the pre-experimental design with One Group Pretest-Posttest Design. Subjects of this research were 36 students of class XI MIA-5 SMAN 1 Driyorejo Gresik 2015/2016 school year. Students misconceptions was determined by Three-tier Diagnostic Test. The result shows that the average percentage of misconceptions reduced on topics of ideal gas law, equation of ideal gases and kinetic theory of gases respectively are 38%, 34% and 38%.

In-situ study of crystallization kinetics in ternary bulk metallic glass alloys with different glass forming abilities

DOE PAGES

Lan, Si; Wei, Xiaoya; Zhou, Jie; ...

2014-11-18

In-situ transmission electron microcopy and time-resolved neutron diffraction were used to study crystallization kinetics of two ternary bulk metallic glasses during isothermal annealing in the supercooled liquid region. It is found that the crystallization of Zr 56Cu 36Al 8, an average glass former, follows continuous nucleation and growth, while that of Zr 46Cu 46Al 8, a better glass former, is characterized by site-saturated nucleation, followed by slow growth. Possible mechanisms for the observed differences and the relationship to the glass forming ability are discussed.

Total and methyl mercury contents and distribution characteristics in cicada, Cryptotympana atrata (Fabricius).

PubMed

Zheng, Dongmei; Zhang, Zhongsheng; Wang, Qichao

2010-06-01

Total and methyl mercury concentrations of cicada bodies, wings, and exuviae were investigated to study the mercury distribution characteristics. Results indicated that total and methyl mercury concentrations of cicada bodies were 2.64 mg/kg and 123.93 ng/g on average, respectively. In cicada tissues, total mercury concentrations were found to increase in the order of exuviae (0.50 mg/kg on average) < wings (0.98 mg/kg on average) < cicada bodies (2.64 mg/kg on average) and methyl mercury concentrations of cicada bodies were 123.93 ng/g on average and were the highest. Methyl mercury concentrations accounted for about 4.69% of total mercury in cicada bodies and most mercury was in inorganic forms in cicada. Sex differences of total mercury concentrations were significantly great (F = 8.433, p < 0.01) and total mercury concentrations of the males, which were 3.38 mg/kg on average, were much higher. Correlation analysis showed that neither total nor methyl mercury concentrations of cicada bodies was significantly related to the corresponding contents of soil (r = 0.0598, p > 0.05).

Modeling dioxygen reduction at multicopper oxidase cathodes.

PubMed

Agbo, Peter; Heath, James R; Gray, Harry B

2014-10-01

We report a general kinetics model for catalytic dioxygen reduction on multicopper oxidase (MCO) cathodes. Our rate equation combines Butler-Volmer (BV) electrode kinetics and the Michaelis-Menten (MM) formalism for enzymatic catalysis, with the BV model accounting for interfacial electron transfer (ET) between the electrode surface and the MCO type 1 copper site. Extending the principles of MM kinetics to this system produced an analytical expression incorporating the effects of subsequent intramolecular ET and dioxygen binding to the trinuclear copper cluster into the cumulative model. We employed experimental electrochemical data on Thermus thermophilus laccase as benchmarks to validate our model, which we suggest will aid in the design of more efficient MCO cathodes. In addition, we demonstrate the model's utility in determining estimates for both the electronic coupling and average distance between the laccase type-1 active site and the cathode substrate.

[Degradation kinetics of ozone oxidation on high concentration of humic substances].

PubMed

Zheng, Ke; Zhou, Shao-Qi; Yang, Mei-Mei

2012-03-01

Humic substance oxidation (HS) degradation by ozone was kinetically investigated. The effects of O3 dosage, initial pH, temperature and initial concentration of HS were studied. Under the conditions of 3.46 g x h(-1) ozone dosage, 1 000 mg x L(-1) initial HS, 8.0 initial pH and 303 K temperature, the removal efficiencies of HS achieved 89.04% at 30 min. The empirical kinetic equation of ozonation degradation for landfill leachate under the conditions of 1.52-6.10 g x h(-1) ozone dosage, 250-1 000 mg x L(-1) initial HS, 2.0-10.0 initial pH, 283-323 K temperature fitted well with the experimental data (average relative error is 7.62%), with low activation energy E(a) = 1.43 x 10(4)J x mol(-1).

Super-Eddington Mechanical Power of an Accreting Black Hole in M83

NASA Technical Reports Server (NTRS)

Soria, R.; Long, K. S.; Blair, W. P.; Godfrey, L.; Kuntz, K. D.; Lenc, E.; Stockdale, C.; Winkler, P. F.

2014-01-01

Mass accretion onto black holes releases energy in the form of radiation and outflows. Although the radiative flux cannot substantially exceed the Eddington limit, at which the outgoing radiation pressure impedes the inflow of matter, it remains unclear whether the kinetic energy flux is bounded by this same limit. Here, we present the detection of a radio-optical structure, powered by outflows from a non-nuclear black hole. Its accretion disk properties indicate that this black hole is less than 100 solar masses. The optical-infrared line emission implies an average kinetic power of 3 × 10(exp 40) erg second(exp -1), higher than the Eddington luminosity of the black hole. These results demonstrate kinetic power exceeding the Eddington limit over a sustained period, which implies greater ability to influence the evolution of the black hole's environment.

Super-Eddington mechanical power of an accreting black hole in M83.

PubMed

Soria, R; Long, K S; Blair, W P; Godfrey, L; Kuntz, K D; Lenc, E; Stockdale, C; Winkler, P F

2014-03-21

Mass accretion onto black holes releases energy in the form of radiation and outflows. Although the radiative flux cannot substantially exceed the Eddington limit, at which the outgoing radiation pressure impedes the inflow of matter, it remains unclear whether the kinetic energy flux is bounded by this same limit. Here, we present the detection of a radio-optical structure, powered by outflows from a non-nuclear black hole. Its accretion disk properties indicate that this black hole is less than 100 solar masses. The optical-infrared line emission implies an average kinetic power of 3 × 10(40) erg second(-1), higher than the Eddington luminosity of the black hole. These results demonstrate kinetic power exceeding the Eddington limit over a sustained period, which implies greater ability to influence the evolution of the black hole's environment.

Relationships between PEMFC Cathode Kinetic Losses and Contaminants’ Dipole Moment and Adsorption Energy on Pt

DOE PAGES

St-Pierre, Jean; Zhai, Yunfeng; Ge, Junjie

2016-01-05

A database summarizing the effects of 21 contaminants on the performance of proton exchange membrane fuel cells (PEMFCs) was used to examine relationships between cathode kinetic losses and contaminant physicochemical parameters. Impedance spectroscopy data were employed to obtain oxygen reduction kinetic resistances by fitting data in the 10-158 Hz range to a simplified equivalent circuit. The contaminant dipole moment and the adsorption energy of the contaminant on a Pt surface were chosen as parameters. Dipole moments did not correlate with dimensionless cathode kinetic resistances. In contrast, adsorption energies were quantitatively and linearly correlated with minimum dimensionless cathode kinetic resistances. Contaminantsmore » influence the oxygen reduction for contaminant adsorption energies smaller than -24.5 kJ mol -1, a value near the high limit of the adsorption energy of O 2 on Pt. Dimensionless cathode kinetic resistances linearly increase with decreasing O 2 adsorption energies below -24.5 kJ mol -1. Measured total cell voltage losses are mostly larger than the cathode kinetic losses calculated from kinetic resistance changes, which indicates the existence of other sources of performance degradation. Modifications to the experimental procedure are proposed to ensure that data are comparable on a similar basis and improve the correlation between contaminant adsorption energy and kinetic cell voltage losses.« less

Relationships between PEMFC Cathode Kinetic Losses and Contaminants’ Dipole Moment and Adsorption Energy on Pt

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

St-Pierre, Jean; Zhai, Yunfeng; Ge, Junjie

A database summarizing the effects of 21 contaminants on the performance of proton exchange membrane fuel cells (PEMFCs) was used to examine relationships between cathode kinetic losses and contaminant physicochemical parameters. Impedance spectroscopy data were employed to obtain oxygen reduction kinetic resistances by fitting data in the 10-158 Hz range to a simplified equivalent circuit. The contaminant dipole moment and the adsorption energy of the contaminant on a Pt surface were chosen as parameters. Dipole moments did not correlate with dimensionless cathode kinetic resistances. In contrast, adsorption energies were quantitatively and linearly correlated with minimum dimensionless cathode kinetic resistances. Contaminantsmore » influence the oxygen reduction for contaminant adsorption energies smaller than -24.5 kJ mol -1, a value near the high limit of the adsorption energy of O 2 on Pt. Dimensionless cathode kinetic resistances linearly increase with decreasing O 2 adsorption energies below -24.5 kJ mol -1. Measured total cell voltage losses are mostly larger than the cathode kinetic losses calculated from kinetic resistance changes, which indicates the existence of other sources of performance degradation. Modifications to the experimental procedure are proposed to ensure that data are comparable on a similar basis and improve the correlation between contaminant adsorption energy and kinetic cell voltage losses.« less

Effects of age and step length on joint kinetics during stepping task.

PubMed

Bieryla, Kathleen A; Buffinton, Christine

2015-07-16

Following a balance perturbation, a stepping response is commonly used to regain support, and the distance of the recovery step can vary. To date, no other studies have examined joint kinetics in young and old adults during increasing step distances, when participants are required to bring their rear foot forward. Therefore, the purpose of this study was to examine age-related differences in joint kinetics with increasing step distance. Twenty young and 20 old adults completed the study. Participants completed a step starting from double support, at an initial distance equal to the individual's average step length. The distance was increased by 10% body height until an unsuccessful attempt. A one-way, repeated measures ANOVA was used to determine the effects of age on joint kinetics during the maximum step distance. A two-way, repeated measures, mixed model ANOVA was used to determine the effects of age, step distance, and their interaction on joint kinetics during the first three step distances for all participants. Young adults completed a significantly longer step than old adults. During the maximum step, in general, kinetic measures were greater in the young than in the old. As step distance increased, all but one kinetic measure increased for both young and old adults. This study has shown the ability to discriminate between young and old adults, and could potentially be used in the future to distinguish between fallers and non-fallers. Copyright © 2015 Elsevier Ltd. All rights reserved.

Energy transfers in internal tide generation, propagation and dissipation in the deep ocean

NASA Astrophysics Data System (ADS)

Floor, J. W.; Auclair, F.; Marsaleix, P.

The energy transfers associated with internal tide (IT) generation by a semi-diurnal surface tidal wave impinging on a supercritical meridionally uniform deep ocean ridge on the f-plane, and subsequent IT-propagation are analysed using the Boussinesq, free-surface, terrain-following ocean model Symphonie. The energy diagnostics are explicitly based on the numerical formulation of the governing equations, permitting a globally conservative, high-precision analysis of all physical and numerical/artificial energy transfers in a sub-domain with open lateral boundaries. The net primary energy balances are quantified using a moving average of length two tidal periods in a simplified control simulation using a single time-step, minimal diffusion, and a no-slip sea floor. This provides the basis for analysis of enhanced vertical and horizontal diffusion and a free-slip bottom boundary condition. After a four tidal period spin-up, the tidally averaged (net) primary energy balance in the generation region, extending ±20 km from the ridge crest, shows that the surface tidal wave loses approximately C = 720 W/m or 0.3% of the mean surface tidal energy flux (2.506 × 10 5 W/m) in traversing the ridge. This corresponds mainly to the barotropic-to-baroclinic energy conversion due to stratified flow interaction with sloping topography. Combined with a normalised net advective flux of baroclinic potential energy of 0.9 × C this causes a net local baroclinic potential energy gain of 0.72 × C and a conversion into baroclinic kinetic energy through the baroclinic buoyancy term of 1.18 × C. Tidally averaged, about 1.14 × C is radiated into the abyssal ocean through the total baroclinic flux of internal pressure associated with the IT- and background density field. This total baroclinic pressure flux is therefore not only determined by the classic linear surface-to-internal tide conversion, but also by the net advection of baroclinic (background) potential energy, indicating the importance of local processes other than linear IT-motion. In the propagation region (PR), integrated over the areas between 20 and 40 km from the ridge crest, the barotropic and baroclinic tide are decoupled. The net incoming total baroclinic pressure flux is balanced by local potential energy gain and outward baroclinic flux of potential energy associated with the total baroclinic density. The primary net energy balances are robust to changes in the vertical diffusion coefficient, whereas relatively weak horizontal diffusion significantly reduces the outward IT energy flux. Diapycnal mixing due to vertical diffusion causes an available potential energy loss of about 1% of the total domain-averaged potential energy gain, which matches {km-1}/{km}ρ0KVN2 to within 0.5%, for km linearly distributed grid-levels and constant background density ρ0, vertical diffusivity ( KV) and buoyancy frequency ( N).

Transport and equilibrium in field-reversed mirrors

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

Boyd, J.K.

Two plasma models relevant to compact torus research have been developed to study transport and equilibrium in field reversed mirrors. In the first model for small Larmor radius and large collision frequency, the plasma is described as an adiabatic hydromagnetic fluid. In the second model for large Larmor radius and small collision frequency, a kinetic theory description has been developed. Various aspects of the two models have been studied in five computer codes ADB, AV, NEO, OHK, RES. The ADB code computes two dimensional equilibrium and one dimensional transport in a flux coordinate. The AV code calculates orbit average integralsmore » in a harmonic oscillator potential. The NEO code follows particle trajectories in a Hill's vortex magnetic field to study stochasticity, invariants of the motion, and orbit average formulas. The OHK code displays analytic psi(r), B/sub Z/(r), phi(r), E/sub r/(r) formulas developed for the kinetic theory description. The RES code calculates resonance curves to consider overlap regions relevant to stochastic orbit behavior.« less

Stress in dilute suspensions

NASA Technical Reports Server (NTRS)

Passman, Stephen L.

1989-01-01

Generally, two types of theory are used to describe the field equations for suspensions. The so-called postulated equations are based on the kinetic theory of mixtures, which logically should give reasonable equations for solutions. The basis for the use of such theory for suspensions is tenuous, though it at least gives a logical path for mathematical arguments. It has the disadvantage that it leads to a system of equations which is underdetermined, in a sense that can be made precise. On the other hand, the so-called averaging theory starts with a determined system, but the very process of averaging renders the resulting system underdetermined. A third type of theory is proposed in which the kinetic theory of gases is used to motivate continuum equations for the suspended particles. This entails an interpretation of the stress in the particles that is different from the usual one. Classical theory is used to describe the motion of the suspending medium. The result is a determined system for a dilute suspension. Extension of the theory to more concentrated systems is discussed.

General theory of the multistage geminate reactions of the isolated pairs of reactants. II. Detailed balance and universal asymptotes of kinetics.

PubMed

Kipriyanov, Alexey A; Doktorov, Alexander B

2014-10-14

The analysis of general (matrix) kinetic equations for the mean survival probabilities of any of the species in a sample (or mean concentrations) has been made for a wide class of the multistage geminate reactions of the isolated pairs. These kinetic equations (obtained in the frame of the kinetic approach based on the concept of "effective" particles in Paper I) take into account various possible elementary reactions (stages of a multistage reaction) excluding monomolecular, but including physical and chemical processes of the change in internal quantum states carried out with the isolated pairs of reactants (or isolated reactants). The general basic principles of total and detailed balance have been established. The behavior of the reacting system has been considered on macroscopic time scales, and the universal long-term kinetics has been determined.

The role of latent heat in kinetic energy conversions of South Pacific cyclones

NASA Technical Reports Server (NTRS)

Kann, Deirdre M.; Vincent, Dayton G.

1986-01-01

The four-dimensional behavior of cyclone systems in the South Pacific Convergence Zone (SPCZ) is analyzed. Three cyclone systems, which occurred during the period from January 10-16, 1979, are examined using the data collected during the first special observing period of the FGGE. The effects of latent heating on the life cycles of the cyclones are investigated. Particular attention is given to the conversions of eddy available potential energy to eddy kinetic energy and of mean kinetic energy to eddy kinetic energy. The net radiation profile, sensible heat flux, total field of vertical motion, and latent heat component were computed. The life cycles of the cyclones are described. It is observed that the latent heating component accounts for nearly all the conversion in the three cyclones, and latent heating within the SPCZ is the major source of eddy kinetic energy for the cyclones.

Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

NASA Astrophysics Data System (ADS)

Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

2018-06-01

A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

Influence of different natural zeolite concentrations on the anaerobic digestion of piggery waste.

PubMed

Milán, Z; Sánchez, E; Weiland, P; Borja, R; Martín, A; Ilangovan, K

2001-10-01

The effect of different natural zeolite concentrations on the anaerobic digestion of piggery waste was studied. Natural zeolite doses in the range 0.2-10 g/l of wastewater were used in batch experiments, which were carried out at temperatures between 27 degrees C and 30 degrees C. Total chemical oxygen demand (COD), total and volatile solids, ammonia and organic nitrogen, pH, total volatile fatty acids (TVFA), alkalinity (Alk) and accumulative methane production were determined during 30 days of digestion. The anaerobic digestion process was favored by the addition of natural zeolite at doses between 2 and 4 g/l and increasingly inhibited at doses beyond 6 g/l. A first-order kinetic model of COD removal was used to determine the apparent kinetic constants of the process. The kinetic constant values increased with the zeolite amount up to a concentration of 4 g/l. The values of the maximum accumulative methane production (Gm) increased until zeolite concentrations of 2-4 g/l. The addition of zeolite reduced the values of the TVFA/ Alk ratio while increasing the pH values, and these facts could contribute to the process failure at zeolite doses of 10 g/l.

Degradation kinetics of di-(2-ethylhexyl) phthalate (DEHP) and organic matter of sewage sludge during composting.

PubMed

Cheng, Hsiao-Fen; Kumar, Mathava; Lin, Jih-Gaw

2008-06-15

The potential degradation of di-(2-ethylhexyl) phthalate (DEHP) and organic matter of sewage sludge by composting was investigated using laboratory reactor at different operating conditions (E-1, E-2 and E-3). In all conditions, single stage thermophilic phase was observed within 2 days and almost, 60% of DEHP was degraded under this phase. At the end of composting, total DEHP degradation of more than 85% was observed in all conditions and total carbon reduction was 11.8% in E-1, 7.6% in E-2 and 10.8% in E-3. Similar trend was observed in the degradation of total nitrogen. The reduction of volatile solids (VS) in the composting reactors was 5.4% in E-1 (18 days), 5.5% in E-2 (12 days) and 4.3% in E-3 (18 days). The degradation kinetics of DEHP in thermophilic phase (including initial mesophilic phase) and the phase there after were determined by first order and fractional power kinetics, respectively. The significance of experimental parameters in DEHP degradation was assessed by Pearson correlation approach. Elevated temperature produced during composting was effective for the rapid degradation of DEHP from sewage sludge compared to mesophilic treatment.

78 FR 19262 - Notice of Annual Adjustment of the Cap on Average Total Assets That Defines Community Financial...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-29

... FEDERAL HOUSING FINANCE AGENCY [No. 2013-N-04] Notice of Annual Adjustment of the Cap on Average.... ACTION: Notice. SUMMARY: The Federal Housing Finance Agency (FHFA) has adjusted the cap on average total... Federal Deposit Insurance Corporation and that has average total assets below a statutory cap.\\2\\ The Bank...

75 FR 9601 - Notice of Annual Adjustment of the Cap on Average Total Assets That Defines Community Financial...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-03

... FEDERAL HOUSING FINANCE AGENCY [No. 2010-N-01] Notice of Annual Adjustment of the Cap on Average.... ACTION: Notice. SUMMARY: The Federal Housing Finance Agency (FHFA) has adjusted the cap on average total... Deposit Insurance Corporation and that has average total assets below a statutory cap. See 12 U.S.C. 1422...

Estimation of Rapidly Exchangeable Cellular Thyroxine from the Plasma Disappearance Curves of Simultaneously Administered Thyroxine-131I and Albumin-125I*

PubMed Central

Oppenheimer, Jack H.; Bernstein, Gerald; Hasen, Julian

1967-01-01

A mathematical analysis of the plasma disappearance curves of simultaneously injected thyroxine-131I and albumin-125I allows the development of simple formulas for estimating the pool size and transfer kinetics of rapidly exchangeable intracellular thyroxine in man. Evidence is presented that the early distribution kinetics of albumin-125I can be used to represent the expansion of the thyroxine-131I-plasma protein complex into the extracellular compartment. Calculations indicate that approximately 37% of total body extrathyroidal thyroxine is within such exchangeable tissue stores. The average cellular clearance of thyroxine is 42.7 ml per minute, a value far in excess of the metabolic clearance of this hormone. Results of external measurements over the hepatic area and studies involving hepatic biopsies indicate that the liver is an important but probably not the exclusive component of the intracellular compartment. The partition of thyroxine between cellular and extracellular compartments is determined by the balance of tissue and plasma protein binding factors. The fractional transfer constants are inversely related to the strength of binding of each compartment and directly proportional to the permeability characteristic of the hypothetical membrane separating compartments. Appropriate numerical values for these factors are assigned. An increased fractional entrance of thyroxine-131I into the cellular compartment was noted in a patient with congenital decrease in the maximal binding capacity of thyroxine-binding globulin and in three patients after the infusion of 5,5-diphenylhydantoin. Decreased intracellular space and impaired permeability characteristics were observed in five patients with hepatic disease. Studies of the rate of entrance of thyroxine-131I and albumin-125I into the pleural effusion of a patient with congestive heart failure suggested that transcapillary passage of thyroxine independent of its binding protein is not a predominant factor in the total distribution kinetics of thyroxine-131I. The thesis is advanced that the distribution of thyroxine, both within the extracellular compartment and between the extracellular and intracellular compartments, is accomplished largely by the carrier protein and the direct transfer of thyroxine from one binding site to another. The concept of free thyroxine is reassessed in terms of this formulation. PMID:4960936

Kinetics of the mechanochemical synthesis of alkaline-earth metal amides

NASA Astrophysics Data System (ADS)

Garroni, Sebastiano; Takacs, Laszlo; Leng, Haiyan; Delogu, Francesco

2014-07-01

A phenomenological framework is developed to model the kinetics of the formation of alkaline-earth metal amides by the ball milling induced reaction of their hydrides with gaseous ammonia. It is shown that the exponential character of the kinetic curves is modulated by the increase of the total volume of the powder inside the reactor due to the substantially larger molar volume of the products compared to the reactants. It is claimed that the volume of powder effectively processed during each collision connects the transformation rate to the physical and chemical processes underlying the mechanochemical transformations.

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.

Phosphotyrosine-mediated LAT assembly on membranes drives kinetic bifurcation in recruitment dynamics of the Ras activator SOS

DOE PAGES

Huang, William Y. C.; Yan, Qingrong; Lin, Wan-Chen; ...

2016-07-01

The assembly of cell surface receptors with downstream signaling molecules is a commonly occurring theme in multiple signaling systems. However, little is known about how these assemblies modulate reaction kinetics and the ultimate propagation of signals. Here, we reconstitute phosphotyrosine-mediated assembly of extended linker for the activation of T cells (LAT):growth factor receptor-bound protein 2 (Grb2):Son of Sevenless (SOS) networks, derived from the T-cell receptor signaling system, on supported membranes. Single-molecule dwell time distributions reveal two, well-differentiated kinetic species for both Grb2 and SOS on the LAT assemblies. The majority fraction of membrane-recruited Grb2 and SOS both exhibit fast kineticsmore » and single exponential dwell time distributions, with average dwell times of hundreds of milliseconds. The minor fraction exhibits much slower kinetics, extending the dwell times to tens of seconds. Considering this result in the context of the multistep process by which the Ras GEF (guanine nucleotide exchange factor) activity of SOS is activated indicates that kinetic stabilization from the LAT assembly may be important. This kinetic proofreading effect would additionally serve as a stochastic noise filter by reducing the relative probability of spontaneous SOS activation in the absence of receptor triggering. In conclusion, the generality of receptor-mediated assembly suggests that such effects may play a role in multiple receptor proximal signaling processes.« less

A pharmacokinetic/viral kinetic model to evaluate the treatment effectiveness of danoprevir against chronic HCV

PubMed Central

Canini, Laetitia; Chatterjee, Anushree; Guedj, Jeremie; Lemenuel-Diot, Annabelle; Brennan, Barbara; Smith, Patrick F; Perelson, Alan S

2014-01-01

Background Viral kinetic models have proven useful to characterize treatment effectiveness during HCV therapy with interferon (IFN) or with direct acting antivirals (DAAs). Methods We use a pharmacokinetic/viral kinetic (PK/VK) model to describe HCV RNA kinetics during treatment with danoprevir, a protease inhibitor. In a phase 1 study, danoprevir monotherapy was administered for 14 days in ascending doses ranging from 200 to 600 mg per day to 40 patients of whom 32 were treatment-naïve and 8 were non-responders to prior PEG-IFN-α/ribavirin treatment. Results In most patients, a biphasic decline of HCV RNA during therapy was observed. A two-compartment PK model and a VK model that considered treatment effectiveness to vary with the predicted danoprevir concentration inside the second compartment provided a good fit to the viral load data. A time-varying effectiveness model was also used to fit the viral load data. The antiviral effectiveness increased in a dose-dependent manner, with a 14-day time-averaged effectiveness of 0.95 at the lowest dose (100 mg bid) and 0.99 at the highest dose (200 mg tid). Prior IFN non-responders exhibited a 14-day time-averaged effectiveness of 0.98 (300 mg bid). The second phase decline showed two different behaviors, with 30% of patients exhibiting a rapid decline of HCV RNA, comparable to that seen with other protease inhibitors (>0.3 d−1), whereas the viral decline was slower in the other patients. Conclusions Our results are consistent with the modest SVR rates from the INFORM-SVR study where patients were treated with a combination of mericitabine and ritonavir-boosted danoprevir. PMID:25321394

Effects of Convective Solute and Impurity Transport in Protein Crystal Growth

NASA Technical Reports Server (NTRS)

Vekilov, Peter G.; Thomas, Bill R.; Rosenberger, Franz

1998-01-01

High-resolution optical interferometry was used to investigate the effects of forced solution convection on the crystal growth kinetics of the model protein lysozyme. Most experiments were conducted with 99.99% pure protein solutions. To study impurity effects, approx. 1% of lysozyme dimer (covalently bound) was added in some cases. We show that the unsteady kinetics, corresponding to bunching of growth steps, can be characterized by the Fourier components of time traces of the growth rate. Specific Fourier spectra are uniquely determined by the solution conditions (composition, temperature, and flow rate) and the growth layer source activity. We found that the average step velocity and growth rate increase by approx. I0% with increasing flow rate, as a result of the enhanced solute supply to the interface. More importantly, faster convective transport results in lower fluctuation amplitudes. This observation supports our rationale for system-dependent effects of transport on the structural perfection of protein crystals. We also found that solution flow rates greater than 500 microns/s result in stronger fluctuations while the average growth rate is decreased. This can lead to growth cessation at low supersaturations. With the intentionally contaminated solutions, these undesirable phenomena occurred at about half the flow rates required in pure solutions. Thus, we conclude that they are due to enhanced convective supply of impurities that are incorporated into the crystal during growth. Furthermore, we found that the impurity effects are reduced at higher crystal growth rates. Since the exposure time of terraces is inversely proportional to the growth rate, this observation suggests that the increased kinetics instability results from impurity adsorption on the interface. Finally, we provide evidence relating earlier observations of "slow protein crystal growth kinetics" to step bunch formation in response to nonsteady step generation.

The arbuscular mycorrhizal fungus Glomus intraradices is haploid and has a small genome size in the lower limit of eukaryotes.

PubMed

Hijri, Mohamed; Sanders, Ian R

2004-02-01

The genome size, complexity, and ploidy of the arbuscular mycorrhizal fungus (AMF) Glomus intraradices was determined using flow cytometry, reassociation kinetics, and genomic reconstruction. Nuclei of G. intraradices from in vitro culture, were analyzed by flow cytometry. The estimated average length of DNA per nucleus was 14.07+/-3.52 Mb. Reassociation kinetics on G. intraradices DNA indicated a haploid genome size of approximately 16.54 Mb, comprising 88.36% single copy DNA, 1.59% repetitive DNA, and 10.05% fold-back DNA. To determine ploidy, the DNA content per nucleus measured by flow cytometry was compared with the genome estimate of reassociation kinetics. G. intraradices was found to have a DNA index (DNA per nucleus per haploid genome size) of approximately 0.9, indicating that it is haploid. Genomic DNA of G. intraradices was also analyzed by genomic reconstruction using four genes (Malate synthase, RecA, Rad32, and Hsp88). Because we used flow cytometry and reassociation kinetics to reveal the genome size of G. intraradices and show that it is haploid, then a similar value for genome size should be found when using genomic reconstruction as long as the genes studied are single copy. The average genome size estimate was 15.74+/-1.69 Mb indicating that these four genes are single copy per haploid genome and per nucleus of G. intraradices. Our results show that the genome size of G. intraradices is much smaller than estimates of other AMF and that the unusually high within-spore genetic variation that is seen in this fungus cannot be due to high ploidy.

A pharmacokinetic/viral kinetic model to evaluate the treatment effectiveness of danoprevir against chronic HCV

DOE PAGES

Canini, Laetitia; Chatterjee, Anushree; Guedj, Jeremie; ...

2014-10-16

Background—Viral kinetic models have proven useful to characterize treatment effectiveness during HCV therapy with interferon (IFN) or with direct acting antivirals (DAAs). Methods—We use a pharmacokinetic/viral kinetic (PK/VK) model to describe HCV RNA kinetics during treatment with danoprevir, a protease inhibitor. In a phase 1 study, danoprevir monotherapy was administered for 14 days in ascending doses ranging from 200 to 600 mg per day to 40 patients of whom 32 were treatment-naïve and 8 were non-responders to prior PEG-IFN-α/ribavirin treatment. Results—In most patients, a biphasic decline of HCV RNA during therapy was observed. A two-compartment PK model and a VKmore » model that considered treatment effectiveness to vary with the predicted danoprevir concentration inside the second compartment provided a good fit to the viral load data. A time-varying effectiveness model was also used to fit the viral load data. We found the antiviral effectiveness increased in a dose-dependent manner, with a 14-day time-averaged effectiveness of 0.95 at the lowest dose (100 mg bid) and 0.99 at the highest dose (200 mg tid). Prior IFN non-responders exhibited a 14-day time-averaged effectiveness of 0.98 (300 mg bid). Finally, the second phase decline showed two different behaviors, with 30% of patients exhibiting a rapid decline of HCV RNA, comparable to that seen with other protease inhibitors (>0.3 d-1), whereas the viral decline was slower in the other patients. Conclusions—Our results are consistent with the modest SVR rates from the INFORM-SVR study where patients were treated with a combination of mericitabine and ritonavir-boosted danoprevir.« less

A general moment expansion method for stochastic kinetic models

NASA Astrophysics Data System (ADS)

Ale, Angelique; Kirk, Paul; Stumpf, Michael P. H.

2013-05-01

Moment approximation methods are gaining increasing attention for their use in the approximation of the stochastic kinetics of chemical reaction systems. In this paper we derive a general moment expansion method for any type of propensities and which allows expansion up to any number of moments. For some chemical reaction systems, more than two moments are necessary to describe the dynamic properties of the system, which the linear noise approximation is unable to provide. Moreover, also for systems for which the mean does not have a strong dependence on higher order moments, moment approximation methods give information about higher order moments of the underlying probability distribution. We demonstrate the method using a dimerisation reaction, Michaelis-Menten kinetics and a model of an oscillating p53 system. We show that for the dimerisation reaction and Michaelis-Menten enzyme kinetics system higher order moments have limited influence on the estimation of the mean, while for the p53 system, the solution for the mean can require several moments to converge to the average obtained from many stochastic simulations. We also find that agreement between lower order moments does not guarantee that higher moments will agree. Compared to stochastic simulations, our approach is numerically highly efficient at capturing the behaviour of stochastic systems in terms of the average and higher moments, and we provide expressions for the computational cost for different system sizes and orders of approximation. We show how the moment expansion method can be employed to efficiently quantify parameter sensitivity. Finally we investigate the effects of using too few moments on parameter estimation, and provide guidance on how to estimate if the distribution can be accurately approximated using only a few moments.

The cross-bridge dynamics is determined by two length-independent kinetics: Implications on muscle economy and Frank-Starling Law.

PubMed

Amiad Pavlov, Daria; Landesberg, Amir

2016-01-01

The cellular mechanisms underlying the Frank-Starling Law of the heart and the skeletal muscle force-length relationship are not clear. This study tested the effects of sarcomere length (SL) on the average force per cross-bridge and on the rate of cross-bridge cycling in intact rat cardiac trabeculae (n=9). SL was measured by laser diffraction and controlled with a fast servomotor to produce varying initial SLs. Tetanic contractions were induced by addition of cyclopiazonic acid, to maintain a constant activation. Stress decline and redevelopment in response to identical ramp shortenings, starting at various initial SLs, was analyzed. Both stress decline and redevelopment responses revealed two distinct kinetics: a fast and a slower phase. The duration of the rapid phases (4.2 ± 0.1 msec) was SL-independent. The second slower phase depicted a linear dependence of the rate of stress change on the instantaneous stress level. Identical slopes (70.5 ± 1.6 [1/s], p=0.33) were obtained during ramp shortening at all initial SLs, indicating that the force per cross-bridge and cross-bridge cycling kinetics are length-independent. A decrease in the slope at longer SLs was obtained during stress redevelopment, due to internal shortening. The first phase is attributed to rapid changes in the average force per cross-bridge. The second phase is ascribed to both cross-bridge cycling between its strong and weak conformations and to changes in the number of strong cross-bridges. Cross-bridge cycling kinetics and muscle economy are length-independent and the Frank-Starling Law cannot be attributed to changes in the force per cross-bridge or in the single cross-bridge cycling rates. Copyright © 2015 Elsevier Ltd. All rights reserved.

Influence of Manufacturing Parameters on Microstructure and Hydrogen Sorption Behavior of Electron Beam Melted Titanium Ti-6Al-4V Alloy

PubMed Central

Pushilina, Natalia; Syrtanov, Maxim; Murashkina, Tatyana; Kudiiarov, Viktor; Lider, Andrey; Koptyug, Andrey

2018-01-01

Influence of manufacturing parameters (beam current from 13 to 17 mA, speed function 98 and 85) on microstructure and hydrogen sorption behavior of electron beam melted (EBM) Ti-6Al-4V parts was investigated. Optical and scanning electron microscopies as well as X-ray diffraction were used to investigate the microstructure and phase composition of EBM Ti-6Al-4V parts. The average α lath width decreases with the increase of the speed function at the fixed beam current (17 mA). Finer microstructure was formed at the beam current 17 mA and speed function 98. The hydrogenation of EBM Ti-6Al-4V parts was performed at the temperatures 500 and 650 °С at the constant pressure of 1 atm up to 0.3 wt %. The correlation between the microstructure and hydrogen sorption kinetics by EBM Ti-6Al-4V parts was demonstrated. Lower average hydrogen sorption rate at 500 °C was in the sample with coarser microstructure manufactured at the beam current 17 mA and speed function 85. The difference of hydrogen sorption kinetics between the manufactured samples at 650 °C was insignificant. The shape of the kinetics curves of hydrogen sorption indicates the phase transition αH + βH→βH. PMID:29747471

Two distinct groups within the Bacillus subtilis group display significantly different spore heat resistance properties.

PubMed

Berendsen, Erwin M; Zwietering, Marcel H; Kuipers, Oscar P; Wells-Bennik, Marjon H J

2015-02-01

The survival of bacterial spores after heat treatment and the subsequent germination and outgrowth in a food product can lead to spoilage of the food product and economical losses. Prediction of time-temperature conditions that lead to sufficient inactivation requires access to detailed spore thermal inactivation kinetics of relevant model strains. In this study, the thermal inactivation kinetics of spores of fourteen strains belonging to the Bacillus subtilis group were determined in detail, using both batch heating in capillary tubes and continuous flow heating in a micro heater. The inactivation data were fitted using a log linear model. Based on the spore heat resistance data, two distinct groups (p < 0.001) within the B. subtilis group could be identified. One group of strains had spores with an average D120 °C of 0.33 s, while the spores of the other group displayed significantly higher heat resistances, with an average D120 °C of 45.7 s. When comparing spore inactivation data obtained using batch- and continuous flow heating, the z-values were significantly different, hence extrapolation from one system to the other was not justified. This study clearly shows that heat resistances of spores from different strains in the B. subtilis group can vary greatly. Strains can be separated into two groups, to which different spore heat inactivation kinetics apply. Copyright © 2014 Elsevier Ltd. All rights reserved.

Influence of Manufacturing Parameters on Microstructure and Hydrogen Sorption Behavior of Electron Beam Melted Titanium Ti-6Al-4V Alloy.

PubMed

Pushilina, Natalia; Syrtanov, Maxim; Kashkarov, Egor; Murashkina, Tatyana; Kudiiarov, Viktor; Laptev, Roman; Lider, Andrey; Koptyug, Andrey

2018-05-10

Influence of manufacturing parameters (beam current from 13 to 17 mA, speed function 98 and 85) on microstructure and hydrogen sorption behavior of electron beam melted (EBM) Ti-6Al-4V parts was investigated. Optical and scanning electron microscopies as well as X-ray diffraction were used to investigate the microstructure and phase composition of EBM Ti-6Al-4V parts. The average α lath width decreases with the increase of the speed function at the fixed beam current (17 mA). Finer microstructure was formed at the beam current 17 mA and speed function 98. The hydrogenation of EBM Ti-6Al-4V parts was performed at the temperatures 500 and 650 °С at the constant pressure of 1 atm up to 0.3 wt %. The correlation between the microstructure and hydrogen sorption kinetics by EBM Ti-6Al-4V parts was demonstrated. Lower average hydrogen sorption rate at 500 °C was in the sample with coarser microstructure manufactured at the beam current 17 mA and speed function 85. The difference of hydrogen sorption kinetics between the manufactured samples at 650 °C was insignificant. The shape of the kinetics curves of hydrogen sorption indicates the phase transition α H + β H →β H .

Intermittency, coherent structures and dissipation in plasma turbulence

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

Wan, M.; Matthaeus, W. H.; Parashar, T. N.

Collisionless dissipation in turbulent plasmas such as the solar wind and the solar corona has been an intensively studied subject recently, with new insights often emerging from numerical simulation. Here we report results from high resolution, fully kinetic simulations of plasma turbulence in both two (2D) and three (3D) dimensions, studying the relationship between intermittency and dissipation. The simulations show development of turbulent coherent structures, characterized by sheet-like current density structures spanning a range of scales. An approximate dissipation measure is employed, based on work done by the electromagnetic field in the local electron fluid frame. This surrogate dissipation measuremore » is highly concentrated in small subvolumes in both 2D and 3D simulations. Fully kinetic simulations are also compared with magnetohydrodynamics (MHD) simulations in terms of coherent structures and dissipation. The interesting result emerges that the conditional averages of dissipation measure scale very similarly with normalized current density J in 2D and 3D particle-in-cell and in MHD. To the extent that the surrogate dissipation measure is accurate, this result implies that on average dissipation scales as ∼J{sup 2} in turbulent kinetic plasma. Multifractal intermittency is seen in the inertial range in both 2D and 3D, but at scales ∼ion inertial length, the scaling is closer to monofractal.« less

Extracting survival parameters from isothermal, isobaric, and "iso-concentration" inactivation experiments by the "3 end points method".

PubMed

Corradini, M G; Normand, M D; Newcomer, C; Schaffner, D W; Peleg, M

2009-01-01

Theoretically, if an organism's resistance can be characterized by 3 survival parameters, they can be found by solving 3 simultaneous equations that relate the final survival ratio to the lethal agent's intensity. (For 2 resistance parameters, 2 equations will suffice.) In practice, the inevitable experimental scatter would distort the results of such a calculation or render the method unworkable. Averaging the results obtained with more than 3 final survival ratio triplet combinations, determined in four or more treatments, can remove this impediment. This can be confirmed by the ability of a kinetic inactivation model derived from the averaged parameters to predict survival patterns under conditions not employed in their determination, as demonstrated with published isothermal survival data of Clostridium botulinum spores, isobaric data of Escherichia coli under HPP, and Pseudomonas exposed to hydrogen peroxide. Both the method and the underlying assumption that the inactivation followed a Weibull-Log logistic (WeLL) kinetics were confirmed in this way, indicating that when an appropriate survival model is available, it is possible to predict the entire inactivation curves from several experimental final survival ratios alone. Where applicable, the method could simplify the experimental procedure and lower the cost of microbial resistance determinations. In principle, the methodology can be extended to deteriorative chemical reactions if they too can be characterized by 2 or 3 kinetic parameters.

Gasification Characteristics and Kinetics of Coke with Chlorine Addition

NASA Astrophysics Data System (ADS)

Wang, Cui; Zhang, Jianliang; Jiao, Kexin; Liu, Zhengjian; Chou, Kuochih

2017-10-01

The gasification process of metallurgical coke with 0, 1.122, 3.190, and 7.132 wt pct chlorine was investigated through thermogravimetric method from ambient temperature to 1593 K (1320 °C) in purified CO2 atmosphere. The variations in the temperature parameters that T i decreases gradually with increasing chlorine, T f and T max first decrease and then increase, but both in a downward trend indicated that the coke gasification process was catalyzed by the chlorine addition. Then the kinetic model of the chlorine-containing coke gasification was obtained through the advanced determination of the average apparent activation energy, the optimal reaction model, and the pre-exponential factor. The average apparent activation energies were 182.962, 118.525, 139.632, and 111.953 kJ/mol, respectively, which were in the same decreasing trend with the temperature parameters analyzed by the thermogravimetric method. It was also demonstrated that the coke gasification process was catalyzed by chlorine. The optimal kinetic model to describe the gasification process of chlorine-containing coke was the Šesták Berggren model using Málek's method, and the pre-exponential factors were 6.688 × 105, 2.786 × 103, 1.782 × 104, and 1.324 × 103 min-1, respectively. The predictions of chlorine-containing coke gasification from the Šesták Berggren model were well fitted with the experimental data.

76 FR 3142 - Notice of Annual Adjustment of the Cap on Average Total Assets That Defines Community Financial...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-19

... FEDERAL HOUSING FINANCE AGENCY [No. 2011-N-01] Notice of Annual Adjustment of the Cap on Average.... ACTION: Notice. SUMMARY: The Federal Housing Finance Agency (FHFA) has adjusted the cap on average total... average total assets below a statutory cap. See 12 U.S.C. 1422(10)(A); 12 CFR 1263.1. The Bank Act was...

Imperfect coupling between northern and southern ionospheres: asymmetry in TEC anomalies before earthquakes

NASA Astrophysics Data System (ADS)

Jhuang, Hau-Kun; Ho, Yi-Ying; Lee, Lou-Chuang

2016-04-01

The northern ionosphere is coupled to the conjugate southern ionosphere through the highly conducting geomagenetic field lines. The coupling is very strong or "perfect" if the geomagnetic field lines are equipotential (the parallel electric field E||=0) and hence the perpendicular electric field (E⊥) at the conjugate sites of both ionospheres are equal. The coupling is "imperfect" if some of the geomagnetic field lines are non-equipotential (E||≠0). The field-aligned electric field E|| can be associated with electron inertia, pressure gradient and collisions appearing in the form of double layer, kinetic Alfvén waves and finite field-aligned conductivity σ||. We use the Global Ionospheric Maps (GIM) data to examine the conjugate effect of total electron content (TEC) for six significant earthquakes. The anomalous (ΔTEC)source in the source ionosphere and (ΔTEC)conjugate in the conjugate ionosphere are obtained for 85 events before the six earthquakes. The ΔTEC ratio β = (ΔTEC)conjugate / (ΔTEC)source is calculated for each anomaly. For a "perfect" coupling, β=1. There are 85 anomalous events before the six significant earthquakes, with 62 events occurring in the daytime (07-18 LT) and 23 events in the nighttime (19-06 LT). The average value of daytime (07-18 LT) TEC variations in the source ionosphere is |ΔTEC|source =20.13 TECu, while the average value in the nighttime (19-06 LT) ionosphere is |ΔTEC|source=14.43 TECu. The value of ΔTEC ratio β ranges from 0.05 (very weak coupling) to 0.98 (nearly perfect coupling) with an average of 0.52. There are 14 strong coupling cases with β ≥0.8, which take place from 11 LT to 19 LT. The daytime (07-18 LT) β average value is 0.57 and the nighttime (19-06 LT) β average is 0.37. The south-north ionosphere coupling is stronger (weaker) in the daytime (nighttime).

Computer Simulation Of Cyclic Oxidation

NASA Technical Reports Server (NTRS)

Probst, H. B.; Lowell, C. E.

1990-01-01

Computer model developed to simulate cyclic oxidation of metals. With relatively few input parameters, kinetics of cyclic oxidation simulated for wide variety of temperatures, durations of cycles, and total numbers of cycles. Program written in BASICA and run on any IBM-compatible microcomputer. Used in variety of ways to aid experimental research. In minutes, effects of duration of cycle and/or number of cycles on oxidation kinetics of material surveyed.

Effect of ω-3 fatty acid ethyl esters on apolipoprotein B-48 kinetics in obese subjects on a weight-loss diet: a new tracer kinetic study in the postprandial state.

PubMed

Wong, Annette T Y; Chan, Dick C; Barrett, P Hugh R; Adams, Leon A; Watts, Gerald F

2014-08-01

Dysregulated chylomicron metabolism may account for hypertriglyceridemia and increased risk of cardiovascular disease in obese subjects. Supplementation with ω-3 fatty acid ethyl ester (FAEE) decreases plasma triglyceride. However, its effect on postprandial chylomicron metabolism in obese subjects on a weight-loss diet has not yet been investigated. We aimed to examine the effect of ω-3 FAEE supplementation on apolipoprotein (apo) B-48 kinetics in obese subjects on a weight-loss diet. We carried out a 12-week, randomized trial of a hypocaloric diet plus 4 g/d ω-3 FAEE supplementation (46% eicosapentaenoic acid and 38% docosahexaenoic acid) (n = 13) compared with a hypocaloric diet alone (n = 12) on postprandial apoB-48 kinetics in obese subjects after ingestion of an oral load. The apoB-48 kinetics were determined using stable isotope tracer kinetics and multicompartmental modeling. We evaluated plasma total and incremental apoB-48 0- to 10-hour area under the curves (AUCs) as well as apoB-48 secretion and fractional catabolic rate. Weight loss with or without ω-3 FAEE supplementation significantly reduced body weight, total fat mass, homeostasis model assessment score, fasting triglyceride concentration, postprandial triglyceride AUC, and increased plasma high-density lipoprotein cholesterol concentration (P < .05 in all). Compared with weight loss alone, weight loss plus ω-3 FAEE significantly (all P < .05) decreased fasting triglyceride (-11%), apoB-48 (-36%) concentrations, postprandial triglyceride (-21%), and apoB-48 (-22%) total AUCs, as well as incremental postprandial triglyceride AUCs (-32%). The ω-3 FAEE also significantly decreased apoB-48 secretion in the basal state, without a significant effect during the postprandial period (3-6 hours). The fractional catabolic rate of apoB-48 increased with both interventions with no significant independent effect of ω-3 FAEE supplementation. Addition of ω-3 FAEE supplementation to a moderate weight-loss diet in obese subjects can significantly improve chylomicron metabolism by independently decreasing the secretion of apoB-48.

Dissociation kinetics of metal clusters on multiple electronic states including electronic level statistics into the vibronic soup

NASA Astrophysics Data System (ADS)

Shvartsburg, Alexandre A.; Siu, K. W. Michael

2001-06-01

Modeling the delayed dissociation of clusters had been over the last decade a frontline development area in chemical physics. It is of fundamental interest how statistical kinetics methods previously validated for regular molecules and atomic nuclei may apply to clusters, as this would help to understand the transferability of statistical models for disintegration of complex systems across various classes of physical objects. From a practical perspective, accurate simulation of unimolecular decomposition is critical for the extraction of true thermochemical values from measurements on the decay of energized clusters. Metal clusters are particularly challenging because of the multitude of low-lying electronic states that are coupled to vibrations. This has previously been accounted for assuming the average electronic structure of a conducting cluster approximated by the levels of electron in a cavity. While this provides a reasonable time-averaged description, it ignores the distribution of instantaneous electronic structures in a "boiling" cluster around that average. Here we set up a new treatment that incorporates the statistical distribution of electronic levels around the average picture using random matrix theory. This approach faithfully reflects the completely chaotic "vibronic soup" nature of hot metal clusters. We found that the consideration of electronic level statistics significantly promotes electronic excitation and thus increases the magnitude of its effect. As this excitation always depresses the decay rates, the inclusion of level statistics results in slower dissociation of metal clusters.

Active and passive transport of cargo in a corrugated channel: A lattice model study

NASA Astrophysics Data System (ADS)

Dey, Supravat; Ching, Kevin; Das, Moumita

2018-04-01

Inside cells, cargos such as vesicles and organelles are transported by molecular motors to their correct locations via active motion on cytoskeletal tracks and passive, Brownian diffusion. During the transportation of cargos, motor-cargo complexes (MCCs) navigate the confining and crowded environment of the cytoskeletal network and other macromolecules. Motivated by this, we study a minimal two-state model of motor-driven cargo transport in confinement and predict transport properties that can be tested in experiments. We assume that the motion of the MCC is directly affected by the entropic barrier due to confinement if it is in the passive, unbound state but not in the active, bound state where it moves with a constant bound velocity. We construct a lattice model based on a Fokker Planck description of the two-state system, study it using a kinetic Monte Carlo method and compare our numerical results with analytical expressions for a mean field limit. We find that the effect of confinement strongly depends on the bound velocity and the binding kinetics of the MCC. Confinement effectively reduces the effective diffusivity and average velocity, except when it results in an enhanced average binding rate and thereby leads to a larger average velocity than when unconfined.

The balance of kinetic and total energy simulated by the OSU two-level atmospheric general circulation model for January and July

NASA Technical Reports Server (NTRS)

Wang, J.-T.; Gates, W. L.; Kim, J.-W.

1984-01-01

A three-year simulation which prescribes seasonally varying solar radiation and sea surface temperature is the basis of the present study of the horizontal structure of the balances of kinetic and total energy simulated by Oregon State University's two-level atmospheric general circulation model. Mechanisms responsible for the local energy changes are identified, and the energy balance requirement's fulfilment is examined. In January, the vertical integral of the total energy shows large amounts of external heating over the North Pacific and Atlantic, together with cooling over most of the land area of the Northern Hemisphere. In July, an overall seasonal reversal is found. Both seasons are also characterized by strong energy flux divergence in the tropics, in association with the poleward transport of heat and momentum.

Electromagnetic banana kinetic equation and its applications in tokamaks

NASA Astrophysics Data System (ADS)

Shaing, K. C.; Chu, M. S.; Sabbagh, S. A.; Seol, J.

2018-03-01

A banana kinetic equation in tokamaks that includes effects of the finite banana width is derived for the electromagnetic waves with frequencies lower than the gyro-frequency and the bounce frequency of the trapped particles. The radial wavelengths are assumed to be either comparable to or shorter than the banana width, but much wider than the gyro-radius. One of the consequences of the banana kinetics is that the parallel component of the vector potential is not annihilated by the orbit averaging process and appears in the banana kinetic equation. The equation is solved to calculate the neoclassical quasilinear transport fluxes in the superbanana plateau regime caused by electromagnetic waves. The transport fluxes can be used to model electromagnetic wave and the chaotic magnetic field induced thermal particle or energetic alpha particle losses in tokamaks. It is shown that the parallel component of the vector potential enhances losses when it is the sole transport mechanism. In particular, the fact that the drift resonance can cause significant transport losses in the chaotic magnetic field in the hitherto unknown low collisionality regimes is emphasized.

Photolysis of nonylphenol ethoxylates: the determination of the degradation kinetics and the intermediate products.

PubMed

Chen, Ling; Zhou, Hai-Yun; Deng, Qin-Ying

2007-06-01

The photolysis of nonylphenol ethoxylates with an average oligomers length of ten ethoxylate units (NPEO(10)) in aqueous solution under UV, as well as the influence of humic acid (HA) on the photolysis was studied. A 125W high-pressure mercury lamp was employed as the light source. The intermediate products from the photolysis were determined by LC-MS. The results indicated that NPEO(10) underwent direct photolysis upon exposed to UV. The degradation pathway was complex. Besides the generally proposed degradation pathway of ethylene oxide (EO) side chains shortening, the oxidation of alkyl chain and EO chain led to intermediates having both a carboxylated (as well as carbonylated) ethoxylate and alkyl chain of varying lengths. The hydrogenation of benzene ring was also detected. The kinetics data showed that the first order reaction kinetics could be well used to describe the kinetics of NPEO(10) degradation. In the presence of dissolved organic matter by HA addition, the performance of NPEO(10) photodegradation was reduced. The photolysis rate decreased with increased HA concentration.

Kinetic Plasma and Turbulent Mix Studies using DT Plastic-shell Implosions with Shell-thickness and Pressure Variations

NASA Astrophysics Data System (ADS)

Kim, Y.; Herrmann, H. W.; Hoffman, N. M.; Schmitt, M. J.; Bradley, P. A.; Kagan, G.; Gales, S.; Horsfield, C. J.; Rubery, M.; Leatherland, A.; Gatu Johnson, M.; Glebov, V.; Seka, W.; Marshall, F.; Stoeckl, C.; Church, J.

2014-10-01

Kinetic plasma and turbulent mix effects on inertial confinement fusion have been studied using a series of DT-filled plastic-shell implosions at the OMEGA laser facility. Plastic capsules of 4 different shell thicknesses (7.4, 15, 20, 29 micron) were shot at 2 different fill pressures in order to vary the ion mean free path compared to the size of fuel region (i.e., Knudsen number). We varied the empirical Knudsen number by a factor of 25. Measurements were obtained from the burn-averaged ion temperature and fuel areal density. Preliminary results indicate that as the empirical Knudsen number increases, fusion performances (e.g., neutron yield) increasingly deviate from hydrodynamic simulations unless turbulent mix and ion kinetic terms (e.g., enhanced ion diffusion, viscosity, thermal conduction, as well as Knudsen-layer fusion reactivity reduction) are considered. We are developing two separate simulations: one is a reduced-ion-kinetics model and the other is turbulent mix model. Two simulation results will be compared with the experimental observables.

Quantitative kinetic theory of active matter

NASA Astrophysics Data System (ADS)

Ihle, Thomas; Chou, Yen-Liang

2014-03-01

Models of self-driven agents similar to the Vicsek model [Phys. Rev. Lett. 75 (1995) 1226] are studied by means of kinetic theory. In these models, particles try to align their travel directions with the average direction of their neighbours. At strong alignment a globally ordered state of collective motion forms. An Enskog-like kinetic theory is derived from the exact Chapman-Kolmogorov equation in phase space using Boltzmann's mean-field approximation of molecular chaos. The kinetic equation is solved numerically by a nonlocal Lattice-Boltzmann-like algorithm. Steep soliton-like waves are observed that lead to an abrupt jump of the global order parameter if the noise level is changed. The shape of the wave is shown to follow a novel scaling law and to quantitatively agree within 3 % with agent-based simulations at large particle speeds. This provides a mean-field mechanism to change the second-order character of the flocking transition to first order. Diagrammatic techniques are used to investigate small particle speeds, where the mean-field assumption of Molecular Chaos is invalid and where correlation effects need to be included.

Enzymatic Kinetic Isotope Effects from Path-Integral Free Energy Perturbation Theory.

PubMed

Gao, J

2016-01-01

Path-integral free energy perturbation (PI-FEP) theory is presented to directly determine the ratio of quantum mechanical partition functions of different isotopologs in a single simulation. Furthermore, a double averaging strategy is used to carry out the practical simulation, separating the quantum mechanical path integral exactly into two separate calculations, one corresponding to a classical molecular dynamics simulation of the centroid coordinates, and another involving free-particle path-integral sampling over the classical, centroid positions. An integrated centroid path-integral free energy perturbation and umbrella sampling (PI-FEP/UM, or simply, PI-FEP) method along with bisection sampling was summarized, which provides an accurate and fast convergent method for computing kinetic isotope effects for chemical reactions in solution and in enzymes. The PI-FEP method is illustrated by a number of applications, to highlight the computational precision and accuracy, the rule of geometrical mean in kinetic isotope effects, enhanced nuclear quantum effects in enzyme catalysis, and protein dynamics on temperature dependence of kinetic isotope effects. © 2016 Elsevier Inc. All rights reserved.

Unified Bohm criterion

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

Kos, L.; Tskhakaya, D. D.; Jelić, N.

2015-09-15

Recent decades have seen research into the conditions necessary for the formation of the monotonic potential shape in the sheath, appearing at the plasma boundaries like walls, in fluid, and kinetic approximations separately. Although either of these approaches yields a formulation commonly known as the much-acclaimed Bohm criterion (BC), the respective results involve essentially different physical quantities that describe the ion gas behavior. In the fluid approach, such a quantity is clearly identified as the ion directional velocity. In the kinetic approach, the ion behavior is formulated via a quantity (the squared inverse velocity averaged by the ion distribution function)more » without any clear physical significance, which is, moreover, impractical. In the present paper, we try to explain this difference by deriving a condition called here the Unified Bohm Criterion, which combines an advanced fluid model with an upgraded explicit kinetic formula in a new form of the BC. By introducing a generalized polytropic coefficient function, the unified BC can be interpreted in a form that holds, irrespective of whether the ions are described kinetically or in the fluid approximation.« less

Thermoluminescence glow curve deconvolution and trapping parameters determination of dysprosium doped magnesium borate glass

NASA Astrophysics Data System (ADS)

Salama, E.; Soliman, H. A.

2018-07-01

In this paper, thermoluminescence glow curves of gamma irradiated magnesium borate glass doped with dysprosium were studied. The number of interfering peaks and in turn the number of electron trap levels are determined using the Repeated Initial Rise (RIR) method. At different heating rates (β), the glow curves were deconvoluted into two interfering peaks based on the results of RIR method. Kinetic parameters such as trap depth, kinetic order (b) and frequency factor (s) for each electron trap level is determined using the Peak Shape (PS) method. The obtained results indicated that, the magnesium borate glass doped with dysprosium has two electron trap levels with the average depth energies of 0.63 and 0.79 eV respectively. These two traps have second order kinetic and are formed at low temperature region. The obtained results due to the glow curve analysis could be used to explain some observed properties such as, high thermal fading and light sensitivity for such thermoluminescence material. In this work, systematic procedures to determine the kinetic parameters of any thermoluminescence material are successfully introduced.

Temperature and energy effects on secondary electron emission from SiC ceramics induced by Xe17+ ions.

PubMed

Zeng, Lixia; Zhou, Xianming; Cheng, Rui; Wang, Xing; Ren, Jieru; Lei, Yu; Ma, Lidong; Zhao, Yongtao; Zhang, Xiaoan; Xu, Zhongfeng

2017-07-25

Secondary electron emission yield from the surface of SiC ceramics induced by Xe 17+ ions has been measured as a function of target temperature and incident energy. In the temperature range of 463-659 K, the total yield gradually decreases with increasing target temperature. The decrease is about 57% for 3.2 MeV Xe 17+ impact, and about 62% for 4.0 MeV Xe 17+ impact, which is much larger than the decrease observed previously for ion impact at low charged states. The yield dependence on the temperature is discussed in terms of work function, because both kinetic electron emission and potential electron emission are influenced by work function. In addition, our experimental data show that the total electron yield gradually increases with the kinetic energy of projectile, when the target is at a constant temperature higher than room temperature. This result can be explained by electronic stopping power which plays an important role in kinetic electron emission.

Pharmacokinetics of insulin following intravenous and subcutaneous administration in canines.

PubMed

Ravis, W R; Comerci, C; Ganjam, V K

1986-01-01

Studies were conducted to examine the absorption and disposition kinetics of insulin in dogs following intravenous (IV) and subcutaneous (SC) administration of commercial preparations. After IV and SC dosing, the plasma levels were described by models which considered basal insulin level contributions. Intersubject variation in the disposition kinetics was small with half-lives of 0.52 +/- 0.05 h and total body clearances of 16.21 +/- 2.08 ml min-1 kg-1. Calculated insulin plasma secretion rates in the canines were 14.4 +/- 3.3 mUh-1 kg-1. Following SC injection of regular insulin, the rate and extent of absorption were noted to be quite variable. The absorption process appeared first-order with half-life values of 2.3 +/- 1.3 h and extents of absorption of 78 +/- 15 per cent with a range of 55-101 per cent. Insulin absorption from SC NPH preparations was evaluated as being composed of two zero-order release phases, a rapid and a slow release phase. With a dose of 1.65 U kg-1, the rapid release phase had an average duration of 1.5 h and a rate of 580 +/- 269 mUh-1 (4.2 per cent of dose) while the slow phase had a zero-order rate of 237 +/- 92 mU h-1 which continued beyond 12 h. The extent of absorption from the NPH preparation was 23.6 +/- 5.1 per cent and was significantly lower than that for the regular injection.

Light-Curing Volumetric Shrinkage in Dimethacrylate-Based Dental Composites by Nanoindentation and PAL Study.

PubMed

Shpotyuk, Olha; Adamiak, Stanislaw; Bezvushko, Elvira; Cebulski, Jozef; Iskiv, Maryana; Shpotyuk, Oleh; Balitska, Valentina

2017-12-01

Light-curing volumetric shrinkage in dimethacrylate-based dental resin composites Dipol® is examined through comprehensive kinetics research employing nanoindentation measurements and nanoscale atomic-deficient study with lifetime spectroscopy of annihilating positrons. Photopolymerization kinetics determined through nanoindentation testing is shown to be described via single-exponential relaxation function with character time constants reaching respectively 15.0 and 18.7 s for nanohardness and elastic modulus. Atomic-deficient characteristics of composites are extracted from positron lifetime spectra parameterized employing unconstrained x3-term fitting. The tested photopolymerization kinetics can be adequately reflected in time-dependent changes observed in average positron lifetime (with 17.9 s time constant) and fractional free volume of positronium traps (with 18.6 s time constant). This correlation proves that fragmentation of free-volume positronium-trapping sites accompanied by partial positronium-to-positron traps conversion determines the light-curing volumetric shrinkage in the studied composites.

Stochastic Kinetics on Networks: When Slow Is Fast

PubMed Central

2015-01-01

Most chemical and biological processes can be viewed as reaction networks in which different pathways often compete kinetically for transformation of substrates into products. An enzymatic process is an example of such phenomena when biological catalysts create new routes for chemical reactions to proceed. It is typically assumed that the general process of product formation is governed by the pathway with the fastest kinetics at all time scales. In contrast to the expectation, here we show theoretically that at time scales sufficiently short, reactions are predominantly determined by the shortest pathway (in the number of intermediate states), regardless of the average turnover time associated with each pathway. This universal phenomenon is demonstrated by an explicit calculation for a system with two competing reversible (or irreversible) pathways. The time scales that characterize this regime and its relevance for single-molecule experimental studies are also discussed. PMID:25140607

Description of jambolan (Syzygium cumini (L.)) anthocyanin extraction kinetics at different stirring frequencies of the medium using diffusion models

NASA Astrophysics Data System (ADS)

da Silva, Wilton Pereira; Nunes, Jarderlany Sousa; Gomes, Josivanda Palmeira; de Araújo, Auryclennedy Calou; e Silva, Cleide M. D. P. S.

2018-05-01

Anthocyanin extraction kinetics was described for jambolan fruits. The spherical granules obtained were dried at 40 °C and the average radius of the sphere equivalent to the granules was determined. Solid-solvent ratio was fixed at 1:20 and temperature at 35 °C. A mixture of ethyl alcohol and hydrochloric acid (85:15) was used as solvent. Experiments were conducted with the following stirring frequencies: 0, 50, 100 and 150 rpm. Two diffusion models were used to describe the extraction process. The first one used an analytical solution, with boundary condition of the first kind. The second one used a numerical solution, with boundary condition of the third kind. The second model was the most adequate, and its results were used to determine empirical equations relating the process parameters with the stirring frequency, allowing to simulate new extraction kinetics.

Thermodynamics and kinetics of graphene chemistry: a graphene hydrogenation prototype study.

PubMed

Pham, Buu Q; Gordon, Mark S

2016-12-07

The thermodynamic and kinetic controls of graphene chemistry are studied computationally using a graphene hydrogenation reaction and polyaromatic hydrocarbons to represent the graphene surface. Hydrogen atoms are concertedly chemisorped onto the surface of graphene models of different shapes (i.e., all-zigzag, all-armchair, zigzag-armchair mixed edges) and sizes (i.e., from 16-42 carbon atoms). The second-order Z-averaged perturbation theory (ZAPT2) method combined with Pople double and triple zeta basis sets are used for all calculations. It is found that both the net enthalpy change and the barrier height of graphene hydrogenation at graphene edges are lower than at their interior surfaces. While the thermodynamic product distribution is mainly determined by the remaining π-islands of functionalized graphenes (Phys. Chem. Chem. Phys., 2013, 15, 3725-3735), the kinetics of the reaction is primarily correlated with the localization of the electrostatic potential of the graphene surface.

Adsorptive removal of an anionic dye Congo red by flower-like hierarchical magnesium oxide (MgO)-graphene oxide composite microspheres

NASA Astrophysics Data System (ADS)

Xu, Jing; Xu, Difa; Zhu, Bicheng; Cheng, Bei; Jiang, Chuanjia

2018-03-01

Flower-like magnesium oxide (MgO) microspheres and MgO-graphene oxide (GO) composites with an average diameter of 500 nm and hierarchical structure were synthesized through an ethylene glycol-mediated self-assembly process. The adsorption of Congo red (CR) by the prepared samples was evaluated in water under ambient conditions. The equilibrium adsorption isotherms of CR on the as-prepared samples could be described by the Langmuir model. The MgO-GO microspheres prepared with 0.5 wt% GO showed higher adsorption capacity (237.0 mg/g) than the MgO microspheres (227.7 mg/g). Adsorption kinetics results of CR indicated that pseudo-second-order kinetic equation could well explain the adsorption kinetics behaviors of CR. These findings indicate that the MgO-GO composite microspheres are potential adsorbents for effective removal of Congo red from wastewater.

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multizone Reaction Kinetics: Modeling of Decarburization

NASA Astrophysics Data System (ADS)

Rout, Bapin Kumar; Brooks, Geoffrey; Akbar Rhamdhani, M.; Li, Zushu; Schrama, Frank N. H.; Overbosch, Aart

2018-06-01

In a previous study by the authors (Rout et al. in Metall Mater Trans B 49:537-557, 2018), a dynamic model for the BOF, employing the concept of multizone kinetics was developed. In the current study, the kinetics of decarburization reaction is investigated. The jet impact and slag-metal emulsion zones were identified to be primary zones for carbon oxidation. The dynamic parameters in the rate equation of decarburization such as residence time of metal drops in the emulsion, interfacial area evolution, initial size, and the effects of surface-active oxides have been included in the kinetic rate equation of the metal droplet. A modified mass-transfer coefficient based on the ideal Langmuir adsorption equilibrium has been proposed to take into account the surface blockage effects of SiO2 and P2O5 in slag on the decarburization kinetics of a metal droplet in the emulsion. Further, a size distribution function has been included in the rate equation to evaluate the effect of droplet size on reaction kinetics. The mathematical simulation indicates that decarburization of the droplet in the emulsion is a strong function of the initial size and residence time. A modified droplet generation rate proposed previously by the authors has been used to estimate the total decarburization rate by slag-metal emulsion. The model's prediction shows that about 76 pct of total carbon is removed by reactions in the emulsion, and the remaining is removed by reactions at the jet impact zone. The predicted bath carbon by the model has been found to be in good agreement with the industrially measured data.

Contributions of Kinetic Energy and Viscous Dissipation to Airway Resistance in Pulmonary Inspiratory and Expiratory Airflows in Successive Symmetric Airway Models With Various Bifurcation Angles.

PubMed

Choi, Sanghun; Choi, Jiwoong; Lin, Ching-Long

2018-01-01

The aim of this study was to investigate and quantify contributions of kinetic energy and viscous dissipation to airway resistance during inspiration and expiration at various flow rates in airway models of different bifurcation angles. We employed symmetric airway models up to the 20th generation with the following five different bifurcation angles at a tracheal flow rate of 20 L/min: 15 deg, 25 deg, 35 deg, 45 deg, and 55 deg. Thus, a total of ten computational fluid dynamics (CFD) simulations for both inspiration and expiration were conducted. Furthermore, we performed additional four simulations with tracheal flow rate values of 10 and 40 L/min for a bifurcation angle of 35 deg to study the effect of flow rate on inspiration and expiration. Using an energy balance equation, we quantified contributions of the pressure drop associated with kinetic energy and viscous dissipation. Kinetic energy was found to be a key variable that explained the differences in airway resistance on inspiration and expiration. The total pressure drop and airway resistance were larger during expiration than inspiration, whereas wall shear stress and viscous dissipation were larger during inspiration than expiration. The dimensional analysis demonstrated that the coefficients of kinetic energy and viscous dissipation were strongly correlated with generation number. In addition, the viscous dissipation coefficient was significantly correlated with bifurcation angle and tracheal flow rate. We performed multiple linear regressions to determine the coefficients of kinetic energy and viscous dissipation, which could be utilized to better estimate the pressure drop in broader ranges of successive bifurcation structures.

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multizone Reaction Kinetics: Modeling of Decarburization

NASA Astrophysics Data System (ADS)

Rout, Bapin Kumar; Brooks, Geoffrey; Akbar Rhamdhani, M.; Li, Zushu; Schrama, Frank N. H.; Overbosch, Aart

2018-03-01

In a previous study by the authors (Rout et al. in Metall Mater Trans B 49:537-557, 2018), a dynamic model for the BOF, employing the concept of multizone kinetics was developed. In the current study, the kinetics of decarburization reaction is investigated. The jet impact and slag-metal emulsion zones were identified to be primary zones for carbon oxidation. The dynamic parameters in the rate equation of decarburization such as residence time of metal drops in the emulsion, interfacial area evolution, initial size, and the effects of surface-active oxides have been included in the kinetic rate equation of the metal droplet. A modified mass-transfer coefficient based on the ideal Langmuir adsorption equilibrium has been proposed to take into account the surface blockage effects of SiO2 and P2O5 in slag on the decarburization kinetics of a metal droplet in the emulsion. Further, a size distribution function has been included in the rate equation to evaluate the effect of droplet size on reaction kinetics. The mathematical simulation indicates that decarburization of the droplet in the emulsion is a strong function of the initial size and residence time. A modified droplet generation rate proposed previously by the authors has been used to estimate the total decarburization rate by slag-metal emulsion. The model's prediction shows that about 76 pct of total carbon is removed by reactions in the emulsion, and the remaining is removed by reactions at the jet impact zone. The predicted bath carbon by the model has been found to be in good agreement with the industrially measured data.

The role of multivalency in the association kinetics of patchy particle complexes.

PubMed

Newton, Arthur C; Groenewold, Jan; Kegel, Willem K; Bolhuis, Peter G

2017-06-21

Association and dissociation of particles are elementary steps in many natural and technological relevant processes. For many such processes, the presence of multiple binding sites is essential. For instance, protein complexes and regular structures such as virus shells are formed from elementary building blocks with multiple binding sites. Here we address a fundamental question concerning the role of multivalency of binding sites in the association kinetics of such complexes. Using single replica transition interface sampling simulations, we investigate the influence of the multivalency on the binding kinetics and the association mechanism of patchy particles that form polyhedral clusters. When the individual bond strength is fixed, the kinetics naturally is very dependent on the multivalency, with dissociation rate constants exponentially decreasing with the number of bonds. In contrast, we find that when the total bond energy per particle is kept constant, association and dissociation rate constants turn out rather independent of multivalency, although of course still very dependent on the total energy. The association and dissociation mechanisms, however, depend on the presence and nature of the intermediate states. For instance, pathways that visit intermediate states are less prevalent for particles with five binding sites compared to the case of particles with only three bonds. The presence of intermediate states can lead to kinetic trapping and malformed aggregates. We discuss implications for natural forming complexes such as virus shells and for the design of artificial colloidal patchy particles.

The role of multivalency in the association kinetics of patchy particle complexes

NASA Astrophysics Data System (ADS)

Newton, Arthur C.; Groenewold, Jan; Kegel, Willem K.; Bolhuis, Peter G.

2017-06-01

Association and dissociation of particles are elementary steps in many natural and technological relevant processes. For many such processes, the presence of multiple binding sites is essential. For instance, protein complexes and regular structures such as virus shells are formed from elementary building blocks with multiple binding sites. Here we address a fundamental question concerning the role of multivalency of binding sites in the association kinetics of such complexes. Using single replica transition interface sampling simulations, we investigate the influence of the multivalency on the binding kinetics and the association mechanism of patchy particles that form polyhedral clusters. When the individual bond strength is fixed, the kinetics naturally is very dependent on the multivalency, with dissociation rate constants exponentially decreasing with the number of bonds. In contrast, we find that when the total bond energy per particle is kept constant, association and dissociation rate constants turn out rather independent of multivalency, although of course still very dependent on the total energy. The association and dissociation mechanisms, however, depend on the presence and nature of the intermediate states. For instance, pathways that visit intermediate states are less prevalent for particles with five binding sites compared to the case of particles with only three bonds. The presence of intermediate states can lead to kinetic trapping and malformed aggregates. We discuss implications for natural forming complexes such as virus shells and for the design of artificial colloidal patchy particles.

Modelling dimercaptosuccinic acid (DMSA) plasma kinetics in humans.

PubMed

van Eijkeren, Jan C H; Olie, J Daniël N; Bradberry, Sally M; Vale, J Allister; de Vries, Irma; Meulenbelt, Jan; Hunault, Claudine C

2016-11-01

No kinetic models presently exist which simulate the effect of chelation therapy on lead blood concentrations in lead poisoning. Our aim was to develop a kinetic model that describes the kinetics of dimercaptosuccinic acid (DMSA; succimer), a commonly used chelating agent, that could be used in developing a lead chelating model. This was a kinetic modelling study. We used a two-compartment model, with a non-systemic gastrointestinal compartment (gut lumen) and the whole body as one systemic compartment. The only data available from the literature were used to calibrate the unknown model parameters. The calibrated model was then validated by comparing its predictions with measured data from three different experimental human studies. The model predicted total DMSA plasma and urine concentrations measured in three healthy volunteers after ingestion of DMSA 10 mg/kg. The model was then validated by using data from three other published studies; it predicted concentrations within a factor of two, representing inter-human variability. A simple kinetic model simulating the kinetics of DMSA in humans has been developed and validated. The interest of this model lies in the future potential to use it to predict blood lead concentrations in lead-poisoned patients treated with DMSA.

Kinetic Control of Aqueous Hydrolysis: Modulating Structure/Property Relationships in Inorganic Crystals

NASA Astrophysics Data System (ADS)

Neilson, James R.

2011-12-01

A grand challenge in materials science and chemistry revolves around the preparation of materials with desired properties by controlling structure on multiple length scales. Biology approaches this challenge by evolving tactics to transform soluble precursors into materials and composites with macro-scale and atomic precision. Studies of biomineralization in siliceous sponges led to the discovery of slow, catalytic hydrolysis of molecular precursors in the biogenesis of silica skeletal elements with well defined micro- and nano-scale architectures. However, the role of aqueous hydrolysis in the limit of kinetic control is not well understood; this allows us to form a central hypothesis: that the kinetics of hydrolysis modulate the structures of materials and their properties. As a model system, the diffusion of a simple hydrolytic catalyst (such as ammonia) across an air-water interface into a metal salt solution reproduces some aspects of the chemistry found in biomineralization, namely kinetic and vectorial control. Variation of the catalyst concentration modulates the hydrolysis rate, and thus alters the resulting structure of the inorganic crystals. Using aqueous solutions of cobalt(II) chloride, each product (cobalt hydroxide chloride) forms with a unique composition, despite being prepared from identical mother liquors. Synchrotron X-ray total scattering methods are needed to locate the atomic positions in the material, which are not aptly described by a traditional crystallographic unit cell due to structural disorder. Detailed definition of the structure confirms that the hydrolysis conditions systematically modulate the arrangement of atoms in the lattice. This tightly coupled control of crystal formation and knowledge of local and average structures of these materials provides insight into the unusual magnetic properties of these cobalt hydroxides. The compounds studied show significant and open magnetization loops with little variation with composition or structure, yet subtle and systematic changes in the mean-field spin interaction strength and spin entropy loss. Meanwhile, neutron powder diffraction reveals a fully compensated Ńeel state; a detailed analysis of the local structure defines the aperiodic clusters of polyhedra responsible for magnetic order. The rate of hydrolysis of metal precursors modulates the disposition of these polyhedral clusters. The strategy of kinetically controlling aqueous hydrolysis also extends to the formation of stoichiometrically ordered bimetallic crystals [MSn(OH)6], where the hydrolysis behavior for dissimilar metal cations must be controlled via counteranions or precursor selection. In the formation of these ordered double perovskite hydroxides, the rate of hydrolysis is held constant in the limit of kinetic control. Instead, the propensities of different cations to undergo controlled hydrolysis are probed by their ability to form ordered crystals. Collectively, these studies demonstrate how systematic variation in the kinetic conditions of materials preparation and the character of each solute control the structure and properties of materials, with a precision not attainable through traditional or near-equilibrium approaches.

Electrostatic Interactions Influence Protein Adsorption (but Not Desorption) at the Silica-Aqueous Interface.

PubMed

McUmber, Aaron C; Randolph, Theodore W; Schwartz, Daniel K

2015-07-02

High-throughput single-molecule total internal reflection fluorescence microscopy was used to investigate the effects of pH and ionic strength on bovine serum albumin (BSA) adsorption, desorption, and interfacial diffusion at the aqueous-fused silica interface. At high pH and low ionic strength, negatively charged BSA adsorbed slowly to the negatively charged fused silica surface. At low pH and low ionic strength, where BSA was positively charged, or in solutions at higher ionic strength, adsorption was approximately 1000 times faster. Interestingly, neither surface residence times nor the interfacial diffusion coefficients of BSA were influenced by pH or ionic strength. These findings suggested that adsorption kinetics were dominated by energy barriers associated with electrostatic interactions, but once adsorbed, protein-surface interactions were dominated by short-range nonelectrostatic interactions. These results highlight the ability of single-molecule techniques to isolate elementary processes (e.g., adsorption and desorption) under steady-state conditions, which would be impossible to measure using ensemble-averaging methods.

Development of the dense plasma focus for short-pulse applications

NASA Astrophysics Data System (ADS)

Bennett, N.; Blasco, M.; Breeding, K.; Constantino, D.; DeYoung, A.; DiPuccio, V.; Friedman, J.; Gall, B.; Gardner, S.; Gatling, J.; Hagen, E. C.; Luttman, A.; Meehan, B. T.; Misch, M.; Molnar, S.; Morgan, G.; O'Brien, R.; Robbins, L.; Rundberg, R.; Sipe, N.; Welch, D. R.; Yuan, V.

2017-01-01

The dense plasma focus (DPF) has long been considered a compact source for pulsed neutrons and has traditionally been optimized for the total neutron yield. In this paper, we describe the efforts to optimize the DPF for short-pulse applications by introducing a reentrant cathode at the end of the coaxial plasma gun. The resulting neutron pulse widths are reduced by an average of 21 ±9 % from the traditional long-drift DPF design. Pulse widths and yields achieved from deuterium-tritium fusion at 2 MA are 61.8 ±30.7 ns FWHM and 1.84 ±0.49 ×1012 neutrons per shot. Simulations were conducted concurrently to elucidate the DPF operation and confirm the role of the reentrant cathode. A hybrid fluid-kinetic particle-in-cell modeling capability demonstrates correct sheath velocities, plasma instabilities, and fusion yield rates. Consistent with previous findings that the DPF is dominated by beam-target fusion from superthermal ions, we estimate that the thermonuclear contribution is at the 1% level.

Shock-turbulence interaction in core-collapse supernovae

NASA Astrophysics Data System (ADS)

Abdikamalov, Ernazar; Zhaksylykov, Azamat; Radice, David; Berdibek, Shapagat

2016-10-01

Nuclear shell burning in the final stages of the lives of massive stars is accompanied by strong turbulent convection. The resulting fluctuations aid supernova explosion by amplifying the non-radial flow in the post-shock region. In this work, we investigate the physical mechanism behind this amplification using a linear perturbation theory. We model the shock wave as a one-dimensional planar discontinuity and consider its interaction with vorticity and entropy perturbations in the upstream flow. We find that, as the perturbations cross the shock, their total turbulent kinetic energy is amplified by a factor of ˜2, while the average linear size of turbulent eddies decreases by about the same factor. These values are not sensitive to the parameters of the upstream turbulence and the nuclear dissociation efficiency at the shock. Finally, we discuss the implication of our results for the supernova explosion mechanism. We show that the upstream perturbations can decrease the critical neutrino luminosity for producing explosion by several per cent.

Photoballistics of volcanic jet activity at Stromboli, Italy

NASA Technical Reports Server (NTRS)

Chouet, B.; Hamisevicz, N.; Mcgetchin, T. R.

1974-01-01

Two night eruptions of the volcano Stromboli were studied through 70-mm photography. Single-camera techniques were used. Particle sphericity, constant velocity in the frame, and radial symmetry were assumed. Properties of the particulate phase found through analysis include: particle size, velocity, total number of particles ejected, angular dispersion and distribution in the jet, time variation of particle size and apparent velocity distribution, averaged volume flux, and kinetic energy carried by the condensed phase. The frequency distributions of particle size and apparent velocities are found to be approximately log normal. The properties of the gas phase were inferred from the fact that it was the transporting medium for the condensed phase. Gas velocity and time variation, volume flux of gas, dynamic pressure, mass erupted, and density were estimated. A CO2-H2O mixture is possible for the observed eruptions. The flow was subsonic. Velocity variations may be explained by an organ pipe resonance. Particle collimation may be produced by a Magnus effect.

Monitoring the biomechanics of a wheelchair sprinter racing the 100 m final at the 2016 Paralympic Games

NASA Astrophysics Data System (ADS)

Barbosa, Tiago M.; Coelho, Eduarda

2017-07-01

The aim was to run a case study of the biomechanics of a wheelchair sprinter racing the 100 m final at the 2016 Paralympic Games. Stroke kinematics was measured by video analysis in each 20 m split. Race kinetics was estimated by employing an analytical model that encompasses the computation of the rolling friction, drag, energy output and energy input. A maximal average speed of 6.97 m s-1 was reached in the last split. It was estimated that the contributions of the rolling friction and drag force would account for 54% and 46% of the total resistance at maximal speed, respectively. Energy input and output increased over the event. However, we failed to note a steady state or any impairment of the energy input and output in the last few metres of the race. Data suggest that the 100 m is too short an event for the sprinter to be able to achieve his maximal power in such a distance.

Luminous Efficiency of Hypervelocity Meteoroid Impacts on the Moon Derived from the 2006 Geminids, 2007 Lyrids, and 2008 Taurids

NASA Technical Reports Server (NTRS)

Moser, D. E.; Suggs, R. M.; Swift, W. R.; Suggs, R. J.; Cooke, W. J.; Diekmann, A. M.; Koehler, H. M.

2011-01-01

Since early 2006, NASA s Marshall Space Flight Center has been routinely monitoring the Moon for impact flashes produced by meteoroids striking the lunar surface. During this time, several meteor showers have produced multiple impact flashes on the Moon. The 2006 Geminids, 2007 Lyrids, and 2008 Taurids were observed with average rates of 5.5, 1.2, and 1.5 meteors/hr, respectively, for a total of 12 Geminid, 12 Lyrid, and 12 Taurid lunar impacts. These showers produced a sufficient, albeit small sample of impact flashes with which to perform a luminous efficiency analysis similar to that outlined in Bellot Rubio et al. (2000a, b) for the 1999 Leonids. An analysis of the Geminid, Lyrid, and Taurid lunar impacts is carried out herein in order to determine the luminous efficiency in the 400-800 nm wavelength range for each shower. Using the luminous efficiency, the kinetic energies and masses of these lunar impactors can be calculated from the observed flash intensity.

Luminous Efficiency of Hypervelocity Meteoroid Impacts on the Moon Derived from the 2006 Geminids, 2007 Lyrids, and 2008 Taurids

NASA Technical Reports Server (NTRS)

Moser, D. E.; Suggs, R. M.; Swift, W. R.; Suggs, R. J.; Cooke, W. J.; Diekmann, A. M.; Koehler, H. M.

2010-01-01

Since early 2006 the Meteoroid Environment Office (MEO) at NASA s Marshall Space Flight Center has been consistently monitoring the Moon for impact flashes produced by meteoroids striking the lunar surface. During this time, several meteor showers have produced multiple impact flashes on the Moon. The 2006 Geminids, 2007 Lyrids, and 2008 Taurids were observed with average rates of 5.5, 1.2, and 1.5 meteors/hr, respectively, for a total of 12 Geminid, 12 Lyrid, and 12 Taurid lunar impacts. These showers produced a sufficient, albeit small sample of impact flashes with which to perform a luminous efficiency analysis similar to that outlined in Bellot Rubio et al. (2000) for the 1999 Leonids. An analysis of the Geminid, Lyrid, and Taurid lunar impacts is carried out herein in order to determine the luminous efficiency in the 400-800 nm wavelength range for each shower. Using the luminous efficiency, the kinetic energies and masses of these lunar impactors can be calculated.

Effective removal of Congo red dye from aqueous solution using modified xanthan gum/silica hybrid nanocomposite as adsorbent.

PubMed

Ghorai, Soumitra; Sarkar, Amit Kumar; Panda, A B; Pal, Sagar

2013-09-01

The aim of this work is to study the feasibility of XG-g-PAM/SiO2 nanocomposite towards its potential application as high performance adsorbent for removal of Congo red (CR) dye from aqueous solution. The surface area, average pore size and total pore volume of the developed nanocomposite has been determined. The efficiency of CR dye adsorption depends on various factors like pH, temperature of the solution, equilibrium time of adsorption, agitation speed, initial concentration of dye and adsorbent dosage. It has been observed that the nanocomposite is having excellent CR dye adsorption capacity (Q0=209.205 mg g(-1)), which is considerably high. The dye adsorption process is controlled by pseudo-second order and intraparticle diffusion kinetic models. The adsorption equilibrium data correlates well with Langmuir isotherm. Desorption study indicates the efficient regeneration ability of the dye loaded nanocomposite. Copyright © 2013 Elsevier Ltd. All rights reserved.

Cone photopigment in older subjects: decreased optical density in early age-related macular degeneration

NASA Astrophysics Data System (ADS)

Elsner, Ann E.; Burns, Stephen A.; Weiter, John J.

2002-01-01

We measured changes to cone photoreceptors in patients with early age-related macular degeneration. The data of 53 patients were compared with normative data for color matching measurements of long- and middle-wavelength-sensitive cones in the central macula. A four-parameter model quantified cone photopigment optical density and kinetics. Cone photopigment optical density was on average less for the patients than for normal subjects and was uncorrelated with visual acuity. More light was needed to reduce the photopigment density by 50% in the steady state for patients. These results imply that cone photopigment optical density is reduced by factors other than slowed kinetics.

Rapid recipe formulation for plasma etching of new materials

NASA Astrophysics Data System (ADS)

Chopra, Meghali; Zhang, Zizhuo; Ekerdt, John; Bonnecaze, Roger T.

2016-03-01

A fast and inexpensive scheme for etch rate prediction using flexible continuum models and Bayesian statistics is demonstrated. Bulk etch rates of MgO are predicted using a steady-state model with volume-averaged plasma parameters and classical Langmuir surface kinetics. Plasma particle and surface kinetics are modeled within a global plasma framework using single component Metropolis Hastings methods and limited data. The accuracy of these predictions is evaluated with synthetic and experimental etch rate data for magnesium oxide in an ICP-RIE system. This approach is compared and superior to factorial models generated from JMP, a software package frequently employed for recipe creation and optimization.

Ab initio simulation of particle momentum distributions in high-pressure water

NASA Astrophysics Data System (ADS)

Ceriotti, M.

2014-12-01

Applying pressure to water reduces the average oxygen-oxygen distance, and facilitates the delocalisation of protons along the hydrogen bond. This pressure-induced delocalisation is further enhanced by the quantum nature of hydrogen nuclei, which is very significant even well above room temperature. Here we will evaluate the quantum kinetic energy and the particle momentum distribution of hydrogen and oxygen nuclei in water at extreme pressure, using ab initio path integral molecular dynamics. We will show that (transient) dissociation of water molecules induce measurable changes in the kinetic energy hydrogen atoms, although current deep inelastic scattering experiments are probably unable to capture the heterogeneity of the sample.

Development and characterization of a dynamic lesion phantom for the quantitative evaluation of dynamic contrast-enhanced MRI.

PubMed

Freed, Melanie; de Zwart, Jacco A; Hariharan, Prasanna; Myers, Matthew R; Badano, Aldo

2011-10-01

To develop a dynamic lesion phantom that is capable of producing physiological kinetic curves representative of those seen in human dynamic contrast-enhanced MRI (DCE-MRI) data. The objective of this phantom is to provide a platform for the quantitative comparison of DCE-MRI protocols to aid in the standardization and optimization of breast DCE-MRI. The dynamic lesion consists of a hollow, plastic mold with inlet and outlet tubes to allow flow of a contrast agent solution through the lesion over time. Border shape of the lesion can be controlled using the lesion mold production method. The configuration of the inlet and outlet tubes was determined using fluid transfer simulations. The total fluid flow rate was determined using x-ray images of the lesion for four different flow rates (0.25, 0.5, 1.0, and 1.5 ml/s) to evaluate the resultant kinetic curve shape and homogeneity of the contrast agent distribution in the dynamic lesion. High spatial and temporal resolution x-ray measurements were used to estimate the true kinetic curve behavior in the dynamic lesion for benign and malignant example curves. DCE-MRI example data were acquired of the dynamic phantom using a clinical protocol. The optimal inlet and outlet tube configuration for the lesion molds was two inlet molds separated by 30° and a single outlet tube directly between the two inlet tubes. X-ray measurements indicated that 1.0 ml/s was an appropriate total fluid flow rate and provided truth for comparison with MRI data of kinetic curves representative of benign and malignant lesions. DCE-MRI data demonstrated the ability of the phantom to produce realistic kinetic curves. The authors have constructed a dynamic lesion phantom, demonstrated its ability to produce physiological kinetic curves, and provided estimations of its true kinetic curve behavior. This lesion phantom provides a tool for the quantitative evaluation of DCE-MRI protocols, which may lead to improved discrimination of breast cancer lesions.

EXPOSURE RECONSTRUCTION FOR REDUCING UNCERTAINTY IN RISK ASSESSMENT: EXAMPLE USING MTBE BIOMARKERS AND SIMPLE PHARMACOKINETIC MODEL

EPA Science Inventory

Adverse health risks from environmental agents are generally related to average (long term) exposures. We used results from a series of controlled human exposure tests and classical first order rate kinetics calculations to estimate how well spot measurements of methyl tertiary ...

Verification of kinetic schemes of hydrogen ignition and combustion in air

NASA Astrophysics Data System (ADS)

Fedorov, A. V.; Fedorova, N. N.; Vankova, O. S.; Tropin, D. A.

2018-03-01

Three chemical kinetic models for hydrogen combustion in oxygen and three gas-dynamic models for reactive mixture flow behind the initiating SW front were analyzed. The calculated results were compared with experimental data on the dependences of the ignition delay on the temperature and the dilution of the mixture with argon or nitrogen. Based on detailed kinetic mechanisms of nonequilibrium chemical transformations, a mathematical technique for describing the ignition and combustion of hydrogen in air was developed using the ANSYS Fluent code. The problem of ignition of a hydrogen jet fed coaxially into supersonic flow was solved numerically. The calculations were carried out using the Favre-averaged Navier-Stokes equations for a multi-species gas taking into account chemical reactions combined with the k-ω SST turbulence model. The problem was solved in several steps. In the first step, verification of the calculated and experimental data for the three kinetic schemes was performed without considering the conicity of the flow. In the second step, parametric calculations were performed to determine the influence of the conicity of the flow on the mixing and ignition of hydrogen in air using a kinetic scheme consisting of 38 reactions. Three conical supersonic nozzles for a Mach number M = 2 with different expansion angles β = 4°, 4.5°, and 5° were considered.

Data acquisition system for chemical kinetic studies

PubMed Central

Zhu, Yu-zhen; Zhou, Xin; Zang, Xiang-sheng

1989-01-01

A microcomputer-interfaced data acquisition system for chemical kinetics (interfacing with laboratory analogue instruments) has been developed. Analogue signals from instruments used in kinetics experiments are amplifed by a wide-range adjustable high-gain operational amplifier and smoothed by an op-based filter, and then digitized at rates of up to 104 samples per channel by an ADC 0816 digitizer. The ADC data transfer and manipulation routine was written in Assembler code and in high-level language; the graphics package and data treatment package is in Basic. For the various sampling speeds, all of the program can be written using Basic-Assembler or completely in Assembler if a high sampling rate is needed. Several numerical treatment methods for chemical kinetics have been utilized to smooth the data from experiments. The computer-interfaced system for second-order chemical kinetic studies was applied to the determination of the rate constant of the saponification of ethyl acetate at 35°C. For this specific problem, an averaging treatment was used which can be called an interval method. The use of this method avoids the diffcully of measuring the starting time of the reaction. Two groups of experimental data and results were used to evaluate the systems performance. All of the results obtained are in agreement with the reference value. PMID:18925219

Investigation of detailed kinetic scheme performance on modelling of turbulent non-premixed sooting flames

NASA Astrophysics Data System (ADS)

Yunardi, Y.; Darmadi, D.; Hisbullah, H.; Fairweather, M.

2011-12-01

This paper presents the results of an application of a first-order conditional moment closure (CMC) approach coupled with a semi-empirical soot model to investigate the effect of various detailed combustion chemistry schemes on soot formation and destruction in turbulent non-premixed flames. A two-equation soot model representing soot particle nucleation, growth, coagulation and oxidation, was incorporated into the CMC model. The turbulent flow-field of both flames is described using the Favre-averaged fluid-flow equations, applying a standard k-ɛ turbulence model. A number of five reaction kinetic mechanisms having 50-100 species and 200-1000 elementary reactions called ABF, Miller-Bowman, GRI-Mech3.0, Warnatz, and Qin were employed to study the effect of combustion chemistry schemes on soot predictions. The results showed that of various kinetic schemes being studied, each yields similar accuracy in temperature prediction when compared with experimental data. With respect to soot prediction, the kinetic scheme containing benzene elementary reactions tends to result in a better prediction on soot concentrations in comparison to those contain no benzene elementary reactions. Among five kinetic mechanisms being studied, the Qin combustion scheme mechanism turned to yield the best prediction on both flame temperature and soot levels.

Interaction of lactoferrin and lysozyme with casein micelles.

PubMed

Anema, Skelte G; de Kruif, C G Kees

2011-11-14

On addition of lactoferrin (LF) to skim milk, the turbidity decreases. The basic protein binds to the caseins in the casein micelles, which is then followed by a (partial) disintegration of the casein micelles. The amount of LF initially binding to casein micelles follows a Langmuir adsorption isotherm. The kinetics of the binding of LF could be described by first-order kinetics and similarly the disintegration kinetics. The disintegration was, however, about 10 times slower than the initial adsorption, which allowed investigating both phenomena. Kinetic data were also obtained from turbidity measurements, and all data could be described with one equation. The disintegration of the casein micelles was further characterized by an activation energy of 52 kJ/mol. The initial increase in hydrodynamic size of the casein micelles could be accounted for by assuming that it would go as the cube root of the mass using the adsorption and disintegration kinetics as determined from gel electrophoresis. The results show that LF binds to casein micelles and that subsequently the casein micelles partly disintegrate. All micelles behave in a similar manner as average particle size decreases. Lysozyme also bound to the casein micelles, and this binding followed a Langmuir adsorption isotherm. However, lysozyme did not cause the disintegration of the casein micelles.

Coupling DAEM and CFD for simulating biomass fast pyrolysis in fluidized beds

DOE PAGES

Xiong, Qingang; Zhang, Jingchao; Wiggins, Gavin; ...

2015-12-03

We report results from computational simulations of an experimental, lab-scale bubbling bed biomass pyrolysis reactor that include a distributed activation energy model (DAEM) for the kinetics. In this study, we utilized multiphase computational fluid dynamics (CFD) to account for the turbulent hydrodynamics, and this was combined with the DAEM kinetics in a multi-component, multi-step reaction network. Our results indicate that it is possible to numerically integrate the coupled CFD–DAEM system without significantly increasing computational overhead. It is also clear, however, that reactor operating conditions, reaction kinetics, and multiphase flow dynamics all have major impacts on the pyrolysis products exiting themore » reactor. We find that, with the same pre-exponential factors and mean activation energies, inclusion of distributed activation energies in the kinetics can shift the predicted average value of the exit vapor-phase tar flux and its statistical distribution, compared to single-valued activation-energy kinetics. Perhaps the most interesting observed trend is that increasing the diversity of the DAEM activation energies appears to increase the mean tar yield, all else being equal. As a result, these findings imply that accurate resolution of the reaction activation energy distributions will be important for optimizing biomass pyrolysis processes.« less

Estimation of the energy loss at the blades in rowing: common assumptions revisited.

PubMed

Hofmijster, Mathijs; De Koning, Jos; Van Soest, A J

2010-08-01

In rowing, power is inevitably lost as kinetic energy is imparted to the water during push-off with the blades. Power loss is estimated from reconstructed blade kinetics and kinematics. Traditionally, it is assumed that the oar is completely rigid and that force acts strictly perpendicular to the blade. The aim of the present study was to evaluate how reconstructed blade kinematics, kinetics, and average power loss are affected by these assumptions. A calibration experiment with instrumented oars and oarlocks was performed to establish relations between measured signals and oar deformation and blade force. Next, an on-water experiment was performed with a single female world-class rower rowing at constant racing pace in an instrumented scull. Blade kinematics, kinetics, and power loss under different assumptions (rigid versus deformable oars; absence or presence of a blade force component parallel to the oar) were reconstructed. Estimated power losses at the blades are 18% higher when parallel blade force is incorporated. Incorporating oar deformation affects reconstructed blade kinematics and instantaneous power loss, but has no effect on estimation of power losses at the blades. Assumptions on oar deformation and blade force direction have implications for the reconstructed blade kinetics and kinematics. Neglecting parallel blade forces leads to a substantial underestimation of power losses at the blades.

Kinetic Risk Factors of Running-Related Injuries in Female Recreational Runners.

PubMed

Napier, Christopher; MacLean, Christopher L; Maurer, Jessica; Taunton, Jack E; Hunt, Michael A

2018-05-30

Our objective was to prospectively investigate the association of kinetic variables with running-related injury (RRI) risk. Seventy-four healthy female recreational runners ran on an instrumented treadmill while 3D kinetic and kinematic data were collected. Kinetic outcomes were vertical impact transient, average vertical loading rate, instantaneous vertical loading rate, active peak, vertical impulse, and peak braking force (PBF). Participants followed a 15-week half-marathon training program. Exposure time (hours of running) was calculated from start of program until onset of injury, loss to follow-up, or end of program. After converting kinetic variables from continuous to ordinal variables based on tertiles, Cox proportional hazard models with competing risks were fit for each variable independently, before analysis in a forward stepwise multivariable model. Sixty-five participants were included in the final analysis, with a 33.8% injury rate. PBF was the only kinetic variable that was a significant predictor of RRI. Runners in the highest tertile (PBF <-0.27 BW) were injured at 5.08 times the rate of those in the middle tertile and 7.98 times the rate of those in the lowest tertile. When analyzed in the multivariable model, no kinetic variables made a significant contribution to predicting injury beyond what had already been accounted for by PBF alone. Findings from this study suggest PBF is associated with a significantly higher injury hazard ratio in female recreational runners and should be considered as a target for gait retraining interventions. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Center for Extended Magnetohydrodynamics Modeling - Final Technical Report

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

Parker, Scott

This project funding supported approximately 74 percent of a Ph.D. graduate student, not including costs of travel and supplies. We had a highly successful research project including the development of a second-order implicit electromagnetic kinetic ion hybrid model [Cheng 2013, Sturdevant 2016], direct comparisons with the extended MHD NIMROD code and kinetic simulation [Schnack 2013], modeling of slab tearing modes using the fully kinetic ion hybrid model and finally, modeling global tearing modes in cylindrical geometry using gyrokinetic simulation [Chen 2015, Chen 2016]. We developed an electromagnetic second-order implicit kinetic ion fluid electron hybrid model [Cheng 2013]. As a firstmore » step, we assumed isothermal electrons, but have included drift-kinetic electrons in similar models [Chen 2011]. We used this simulation to study the nonlinear evolution of the tearing mode in slab geometry, including nonlinear evolution and saturation [Cheng 2013]. Later, we compared this model directly to extended MHD calculations using the NIMROD code [Schnack 2013]. In this study, we investigated the ion-temperature-gradient instability with an extended MHD code for the first time and got reasonable agreement with the kinetic calculation in terms of linear frequency, growth rate and mode structure. We then extended this model to include orbit averaging and sub-cycling of the ions and compared directly to gyrokinetic theory [Sturdevant 2016]. This work was highlighted in an Invited Talk at the International Conference on the Numerical Simulation of Plasmas in 2015. The orbit averaging sub-cycling multi-scale algorithm is amenable to hybrid architectures with GPUS or math co-processors. Additionally, our participation in the Center for Extend Magnetohydrodynamics motivated our research on developing the capability for gyrokinetic simulation to model a global tearing mode. We did this in cylindrical geometry where the results could be benchmarked with existing eigenmode calculations. First, we developed a gyrokinetic code capable of simulating long wavelengths using a fluid electron model [Chen 2015]. We benchmarked this code with an eigenmode calculation. Besides having to rewrite the field solver due to the breakdown in the gyrokinetic ordering for long wavelengths, very high radial resolution was required. We developed a technique where we used the solution from the eigenmode solver to specify radial boundary conditions allowing for a very high radial resolution of the inner solution. Using this technique enabled us to use our direct algorithm with gyrokinetic ions and drift kinetic electrons [Chen 2016]. This work was highlighted in an Invited Talk at the American Physical Society - Division of Plasma Physics in 2015.« less

Effects of the supplementation with an high-polyphenols extra-virgin olive oil on kinetic sperm features and seminal plasma oxidative status in healthy dogs.

PubMed

Tufarelli, V; Rizzo, A; Lacalandra, G M; Guaricci, A C; Laudadio, V; Valentini, L

2018-06-01

The aim of this work was to evaluate the effects of the supplementation of two extra-virgin olive oils (EVOO) having different polyphenols content, on canine spermatozoa kinetic parameters and seminal plasma oxidative status. The study was conducted on 12 clinically healthy dogs of different breeds (2-7 years, 5-48 kg of body weight) divided into two groups: an experimental group supplemented with EVOO (Coratina cultivar) high in polyphenols (H-P) and a control group fed EVOO (Cima di Bitonto cultivar) low in polyphenols (L-P). The oil was daily administered per os (1 ml/3 kg BW) before meal. Semen collection was made twice at 15 days distance (D0 1 and D0 2 ) and then at 30 (D30), 60 (D60) and 90 (D90) days. Semen concentration and kinetic parameters were measured using computer-assisted sperm analysis (CASA) system to evaluate: sperm total count, sperm motile (MOT%), progressive motility (PROGR%) and its fractions, straight-line velocity (VSL, μm/s), curvilinear velocity (VCL, μm/s), average path velocity (VAP, μm/s), amplitude of lateral head displacement (ALH, μm), beat cross frequency (BCF, Hz), straightness (STR%) and linearity (LIN%). On seminal plasma, reactive oxygen species (ROS) and biological antioxidant potential (BAP) were tested. From findings, no differences were found for sperm MOT, VSL, VCL, VAP, ALH, BCF, STR, LIN and BAP. A gradual enhancement of PROGR% was observed in H-P group (p < .01). The ROS levels were higher in dogs H-P compared to the other group (p < .05). In conclusion, our results highlight the positive effects of EVOO polyphenols on sperm PROGR% in healthy dogs. © 2018 Blackwell Verlag GmbH.

Measurement of turbulent spatial structure and kinetic energy spectrum by exact temporal-to-spatial mapping

NASA Astrophysics Data System (ADS)

Buchhave, Preben; Velte, Clara M.

2017-08-01

We present a method for converting a time record of turbulent velocity measured at a point in a flow to a spatial velocity record consisting of consecutive convection elements. The spatial record allows computation of dynamic statistical moments such as turbulent kinetic wavenumber spectra and spatial structure functions in a way that completely bypasses the need for Taylor's hypothesis. The spatial statistics agree with the classical counterparts, such as the total kinetic energy spectrum, at least for spatial extents up to the Taylor microscale. The requirements for applying the method are access to the instantaneous velocity magnitude, in addition to the desired flow quantity, and a high temporal resolution in comparison to the relevant time scales of the flow. We map, without distortion and bias, notoriously difficult developing turbulent high intensity flows using three main aspects that distinguish these measurements from previous work in the field: (1) The measurements are conducted using laser Doppler anemometry and are therefore not contaminated by directional ambiguity (in contrast to, e.g., frequently employed hot-wire anemometers); (2) the measurement data are extracted using a correctly and transparently functioning processor and are analysed using methods derived from first principles to provide unbiased estimates of the velocity statistics; (3) the exact mapping proposed herein has been applied to the high turbulence intensity flows investigated to avoid the significant distortions caused by Taylor's hypothesis. The method is first confirmed to produce the correct statistics using computer simulations and later applied to measurements in some of the most difficult regions of a round turbulent jet—the non-equilibrium developing region and the outermost parts of the developed jet. The proposed mapping is successfully validated using corresponding directly measured spatial statistics in the fully developed jet, even in the difficult outer regions of the jet where the average convection velocity is negligible and turbulence intensities increase dramatically. The measurements in the developing region reveal interesting features of an incomplete Richardson-Kolmogorov cascade under development.

Effect of a prior intermittent run at vVO2max on oxygen kinetics during an all-out severe run in humans.

PubMed

Billat, V L; Bocquet, V; Slawinski, J; Laffite, L; Demarle, A; Chassaing, P; Koralsztein, J P

2000-09-01

The purpose of this study was to examine the influence of prior intermittent running at VO2max on oxygen kinetics during a continuous severe intensity run and the time spent at VO2max. Eight long-distance runners performed three maximal tests on a synthetic track (400 m) whilst breathing through the COSMED K4 portable telemetric metabolic analyser: i) an incremental test which determined velocity at the lactate threshold (vLT), VO2max and velocity associated with VO2max (vVO2max), ii) a continuous severe intensity run at vLT+50% (vdelta50) of the difference between vLT and vVO2max (91.3+/-1.6% VO2max)preceded by a light continuous 20 minute run at 50% of vVO2max (light warm-up), iii) the same continuous severe intensity run at vdelta50 with a prior interval training exercise (hard warm-up) of repeated hard running bouts performed at 100% of vVO2max and light running at 50% of vVO2max (of 30 seconds each) performed until exhaustion (on average 19+/-5 min with 19+/-5 interval repetitions). This hard warm-up speeded the VO2 kinetics: the time constant was reduced by 45% (28+/-7 sec vs 51+/-37 sec) and the slow component of VO2 (deltaVO2 6-3 min) was deleted (-143+/-271 ml x min(-1) vs 291+/-153 ml x min(-1)). In conclusion, despite a significantly lower total run time at vdelta50 (6 min 19+/-0) min 17 vs 8 min 20+/-1 min 45, p=0.02) after the intermittent warm-up at VO2max, the time spent specifically at VO2max in the severe continuous run at vdelta50 was not significantly different.

Use of extant kinetic parameters to predict effluent concentrations of specific organic compounds at full-scale facilities.

PubMed

Ellis, Timothy G; Eliosov, Boris

2004-01-01

To use the results of kinetic tests to predict effluent concentrations of specific contaminants in activated sludge systems, the fraction of the biomass that has an ability to degrade the test compound (i.e., competent biomass) must be estimated. A calibration procedure was developed to assess the competent biomass concentration because the chemical oxygen demand (COD) fraction tended to underestimate the degrading fraction for three of the four test compounds. Acetone, for instance, had a measured influent COD fraction of 0.08%, and the actual competent fraction was estimated to be 2.3%, based on the model calibration. Once the competent biomass fraction in the mixed liquor was determined, the extant kinetic parameters were subsequently used to predict activated sludge system performance. Predicted effluent concentrations were within 2, 5, and 16% of the average measured concentrations for acetone, linear alkylbenzene sulfonate, and furfural, respectively. Day-to-day predictions for these compounds were less accurate, possibly because of the non-steady-state nature of the activated sludge systems studied. The difference between the fraction of the influent COD contributed by the target compounds and the competent biomass fraction in the mixed liquor was found to be more significant when the target compound contributed less than 1% of the influent organic matter. The chemical structure of the target compound and chemical composition of the influent likely had an effect on the resulting competent biomass concentration. The total maximum growth rate, microX, was observed to be independent of the influent concentration of acetone and furfural, thus suggesting that the competent biomass concentration for these compounds was not affected by the changes in their influent concentrations. Consequently, a majority of competent biomass growth resulted from the degradation of other substrates, resulting in a competent biomass concentration significantly higher than predicted based on the influent COD fraction contributed by the test compound.

Growth of Chlorella vulgaris and nutrient removal in the wastewater in response to intermittent carbon dioxide.

PubMed

Liu, Xiaoning; Ying, Kezhen; Chen, Guangyao; Zhou, Canwei; Zhang, Wen; Zhang, Xihui; Cai, Zhonghua; Holmes, Thomas; Tao, Yi

2017-11-01

In this study, Chlorella vulgaris (C. vulgaris) were cultured in cell culture flask supplied with intermittent CO 2 enriched gas. The impact of CO 2 concentration (from 1% to 20% v/v) on the growth of C. vulgaris cultured in domestic wastewater was exploited in various perspectives which include biomass, specific growth rate, culture pH, carbon consumption, and the removal of nitrogen and phosphorus compounds. The results showed that the maximum microalgal biomass concentration, 1.12 g L -1 , was achieved with 10% CO 2 as a feed gas. At 20% CO 2 the growth of C. vulgaris suffered from inhibition during initial 1.5 d, but acclimated to low pH (6.3 in average) with relatively higher specific growth rate (0.3-0.5 d -1 ) during subsequent culture period. After the rapid consumption of ammonium in the wastewater, an obvious decline in the nitrate concentration was observed, indicating that C. vulgaris prefer ammonium as a primary nitrogen source. The total nitrogen and phosphorus decreased from 44.0 mg L -1 to 2.1-5.4 mg L -1 and from 5.2 mg L -1 to 0-0.6 mg L -1 within 6.5 d under the aeration of 1-20% CO 2 , respectively, but no significant difference in consumed nitrogen versus phosphorus ratio was observed among different CO 2 concentration. The kinetics of nutrients removal were also determined through the application of pseudo first order kinetic model. 5-10% CO 2 aeration was optimal for the growth of C. vulgaris in the domestic wastewater, based on the coupling of carbon consumption, microalgal biomass, the nutrients removal and kinetics constants. Copyright © 2017 Elsevier Ltd. All rights reserved.

A Microscale Approach to Chemical Kinetics in the General Chemistry Laboratory: The Potassium Iodide Hydrogen Peroxide Iodine-Clock Reaction

ERIC Educational Resources Information Center

Sattsangi, Prem D.

2011-01-01

A microscale laboratory for teaching chemical kinetics utilizing the iodine clock reaction is described. Plastic pipets, 3 mL volume, are used to store and deliver precise drops of reagents and the reaction is run in a 24 well plastic tray using a total 60 drops of reagents. With this procedure, students determine the rate of reaction and the…

Conversion of laser energy to gas kinetic energy

NASA Technical Reports Server (NTRS)

Caledonia, G. E.

1976-01-01

Techniques for the gas phase absorption of laser radiation for ultimate conversion to gas kinetic energy are discussed. Particular emphasis is placed on absorption by the vibration rotation bands of diatomic molecules at high pressures. This high pressure absorption appears to offer efficient conversion of laser energy to gas translational energy. Bleaching and chemical effects are minimized and the variation of the total absorption coefficient with temperature is minimal.

T700 Blisk and Impeller Manufacturing Process Development Program.

DTIC Science & Technology

1979-11-01

700(40) Reworked Media Temperature - 790 F Average Media Pressure - 200 psi Total Cycles (Test No. 1) - 40 Total Cycles (Test No. 2) - 20 Total Time...36A(73), - 700(40" Media Temperature - 80F Average Media Pressure - 150 psi Total Cycles - 52 Total Time - 95 Minutes Some difficulty was...61)-36A(73)-700( 4O)Media Temperature - 79OF average Media Pressure - 200 psi Time - 40 cycles - 72 minutes Time - 60 cycles - 109 minutes Time - 80

Ectoenzymatic ratios in relation to particulate organic matter distribution (Ross Sea, Antarctica).

PubMed

Misic, C; Povero, P; Fabiano, M

2002-10-01

The results of a study on ectoenzymatic activity (the enzyme activity bound to particles larger than 0.2 micro m) and its relation to organic particle concentration are reported here. The sampling was carried out during the 1994 Antarctic spring, at a fixed station (Station 11) in the polynya of the Ross Sea, an area characterized by quick changes in sea ice cover. The sampling was repeated 4 times over a 20-day time period. The particulate organic matter distribution followed the physical structure of the water column, which depends on ice dynamics and is mainly determined by salinity. In the mixed-water surface layer (0-50 m) the concentrations were higher (on average 65.6 micro gC/L) than in the deeper water layer (50 m-bottom) (on average 19.1 micro gC/L). This distribution and quality, expressed by the protein:carbohydrate ratio, linked the particulate organic matter to the phytoplanktonic bloom which was in progress in the area. We determined the kinetic parameters of the glycolytic and proteolytic ectoenzymes and also the total activity for the proteolytic enzyme, in order to evaluate the contribution of the particle-bound activity. We observed higher values in the surface layer than in the deeper layer. b-Glucosidase activity ranged between 0.03 and 0.92 nmol L(-1) h(-1); b-N-acetylglucosaminidase activity was in the range of 0.04-0.58 nmol (L-1) (h-1). The total proteolytic activity (leucine aminopeptidase) ranged between 0.85 and 33.71 nmol L(-1) (h-1). The ectoproteolytic activity was about 35-60% of the total. The Km values were slightly higher for the proteolytic activity (on average 0.43 micro M for ectoproteolytic activity and 0.58 micro M for total proteolytic activity) than for the b-glucosidase (on average 0.36 micro M) and b-N-acetylglucosaminidase (on average 0.17 micro M), showing no remarkable variations in the water column. The ectoenzymatic ratios and their relationship with particulate organic substrates confirm the close link between organic substrate availability and degradation system response. The significant and positive correlations are not specific and suggest a prompt and efficient systemic response to the input of trophic resources. Nevertheless, changes in ectoenzyme activity and synthesis may act as adaptive responses to changing features of the ecosystem. In particular, variations in the proteolysis:glycolysis ratio depend on the functional features of the ecological system. In our study area this ratio is higher (about 10 or more) during production (particularly autotrophic) and lower (about 5 or less) during degradation/consumption events. The analysis of previous data, collected over a larger area characterized by different environmental conditions due to the changes of the pack ice cover, during the same cruise, confirms the existence of a significant relationship. Furthermore, the analysis of enzyme-uptake systems, expressed as Vmax:Km ratio, suggests that glycolytic ectoenzymes, although poorly expressed, may encourage microconsumers to grow rapidly on a wide range of organic substrates, including the refractory ones such as cellulose and chitin. However, low ectoenzyme potential exploitation rates of available organic substrates (on average about 5% for glycolytic and 12% for proteolytic ectoenzymes) would suggest that, during spring, zooplankton grazing or vertical and lateral transport are likely to play an important role in the removal of organic materials from the system.

Kinetics of low pressure CVD growth of SiO2 on InP and Si

NASA Technical Reports Server (NTRS)

Iyer, R.; Lile, D. L.

1988-01-01

The kinetics of low pressure CVD growth of SiO2 from SiH4 and O2 has been investigated for the case of an indirect (remote) plasma process. Homogeneous (gas phase) and heterogeneous operating ranges have been experimentally identified. The process was shown to be consistent within the heterogeneous surface-reaction dominated range of operation. A kinetic rate equation is given for growth at 14 W RF power input and 400 mtorr total pressure on both InP and Si substrates. The process exhibits an activation energy of 8.4 + or - 0.6 kcal/mol.

The effect of harvesting strategy of grass silage on digestion and nutrient supply in dairy cows.

PubMed

Kuoppala, K; Rinne, M; Ahvenjärvi, S; Nousiainen, J; Huhtanen, P

2010-07-01

This study examined the effects of primary growth (PG) and regrowth (RG) timothy-meadow fescue silages harvested at 2 stages of growth on feed intake, cell wall digestion and ruminal passage kinetics in lactating dairy cows. Four dairy cows equipped with rumen cannulas were used in a study designed as a 4 x 4 Latin square with 21-d periods. The experimental silages were offered ad libitum with 8 kg/d of concentrate. Ruminal digestion and passage kinetics were assessed by the rumen evacuation technique. Silages of PG were on average more digestible than RG silages. The concentration of neutral detergent fiber (NDF) and indigestible NDF (iNDF) increased and the concentration of digestible organic matter in dry matter (DM) of silages decreased with advancing maturity in PG and RG. Cows consumed more feed DM, energy, and protein and produced more milk when fed PG diets rather than RG diets. Delaying the harvest decreased DM intake and milk production in PG and RG. There were no differences between PG and RG in rumen pH, ammonia N, or total volatile fatty acid concentrations. The intake of N, omasal canal flow of total nonammonia N and microbial N, excretion of N in feces, and ruminal true digestibility of N were higher for PG than for RG diets. The efficiency of microbial N synthesis was not different between PG and RG. Intake and omasal canal flow of organic matter, NDF, and potentially digestible NDF (pdNDF) were higher in PG than in RG. Whole-diet digestibility of organic matter, NDF, or pdNDF in the rumen or in the total tract was not different between PG and RG despite the higher digestibility of PG silages measured in sheep. Rumen pool sizes of crude protein and iNDF were lower for PG diets, whereas the pool size of pdNDF was higher for PG diets than for RG diets. The rate of passage of iNDF was higher for PG diets than for RG diets, with no difference between them in rate of digestion or passage of pdNDF. The lower milk production in cows fed regrowth grass silages compared with primary growth silages could be attributed to the lower silage DM intake potential. Chemical composition of the silages, rumen fill, digestion and passage kinetics of NDF, or the ratio of protein to energy in absorbed nutrients could not explain the differences in DM intake between silages made from primary and regrowth grass. Copyright (c) 2010 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

In vitro embryo production in goats: Slaughterhouse and laparoscopic ovum pick up-derived oocytes have different kinetics and requirements regarding maturation media.

PubMed

Souza-Fabjan, Joanna Maria G; Locatelli, Yann; Duffard, Nicolas; Corbin, Emilie; Touzé, Jean-Luc; Perreau, Christine; Beckers, Jean François; Freitas, Vicente José F; Mermillod, Pascal

2014-05-01

A total of 3427 goat oocytes were used in this study to identify possible differences during in vitro embryo production from slaughterhouse or laparoscopic ovum pick up (LOPU) oocytes. In experiment 1, one complex, one semi-defined, and one simplified IVM media were compared using slaughterhouse oocytes. In experiment 2, we checked the effect of oocyte origin (slaughterhouse or LOPU) on the kinetics of maturation (18 vs. 22 vs. 26 hours) when submitted to semi-defined or simplified media. In experiment 3, we determined the differences in embryo development between slaughterhouse and LOPU oocytes when submitted to both media and then to IVF or parthenogenetic activation (PA). Embryos from all groups were vitrified, and their viability evaluated in vitro after thawing. In experiment 1, no difference (P > 0.05) was detected among treatments for maturation rate (metaphase II [MII]; 88% on average), cleavage (72%), blastocyst from the initial number of cumulus oocyte complexes (46%) or from the cleaved ones (63%), hatching rate (69%), and the total number of blastomeres (187). In experiment 2, there was no difference of MII rate between slaughterhouse oocytes cultured for 18 or 22 hours, whereas the MII rate increased significantly (P < 0.05) between 18 and 22 hours for LOPU oocytes in the simplified medium. Moreover, slaughterhouse oocytes cultured in simplified medium matured significantly faster than LOPU oocytes at 18 and 22 hours (P < 0.05). In experiment 3, cleavage rate was significantly greater (P < 0.001) in all four groups of embryos produced by PA than IVF. Interestingly, PA reached similar rates for slaughterhouse oocytes cultured in both media, but improved (P < 0.05) the cleavage rate of LOPU oocytes. Slaughterhouse oocytes had acceptable cleavage rate after IVF (∼67%), whereas LOPU oocytes displayed a lower one (∼38%), in contrast to cleavage after PA. The percentage of blastocysts in relation to cleaved embryos was not affected by the origin of the oocytes (P > 0.05). Therefore, slaughterhouse oocytes developed a greater proportion of blastocysts than LOPU ones, expressed as the percentage of total cumulus oocyte complexes entering to IVM. Vitrified-thawed blastocysts presented similar survival and hatching rates between the oocyte origin, media, or method of activation. In conclusion, slaughterhouse and LOPU derived oocytes may have different IVM kinetics and require different IVM and IVF conditions. Although the IVM and IVF systems still need improvements to enhance embryo yield, the in vitro development step is able to generate good quality embryos from LOPU-derived oocytes. Copyright © 2014 Elsevier Inc. All rights reserved.

Naive vs. Sophisticated Methods of Forecasting Public Library Circulations.

ERIC Educational Resources Information Center

Brooks, Terrence A.

1984-01-01

Two sophisticated--autoregressive integrated moving average (ARIMA), straight-line regression--and two naive--simple average, monthly average--forecasting techniques were used to forecast monthly circulation totals of 34 public libraries. Comparisons of forecasts and actual totals revealed that ARIMA and monthly average methods had smallest mean…

Broadly targeted human cytomegalovirus-specific CD4+ and CD8+ T cells dominate the memory compartments of exposed subjects

PubMed Central

Sylwester, Andrew W.; Mitchell, Bridget L.; Edgar, John B.; Taormina, Cara; Pelte, Christian; Ruchti, Franziska; Sleath, Paul R.; Grabstein, Kenneth H.; Hosken, Nancy A.; Kern, Florian; Nelson, Jay A.; Picker, Louis J.

2005-01-01

Human cytomegalovirus (HCMV) infections of immunocompetent hosts are characterized by a dynamic, life-long interaction in which host immune responses, particularly of T cells, restrain viral replication and prevent disease but do not eliminate the virus or preclude transmission. Because HCMV is among the largest and most complex of known viruses, the T cell resources committed to maintaining this balance have never been characterized completely. Here, using cytokine flow cytometry and 13,687 overlapping 15mer peptides comprising 213 HCMV open reading frames (ORFs), we found that 151 HCMV ORFs were immunogenic for CD4+ and/or CD8+ T cells, and that ORF immunogenicity was influenced only modestly by ORF expression kinetics and function. We further documented that total HCMV-specific T cell responses in seropositive subjects were enormous, comprising on average ∼10% of both the CD4+ and CD8+ memory compartments in blood, whereas cross-reactive recognition of HCMV proteins in seronegative individuals was limited to CD8+ T cells and was rare. These data provide the first glimpse of the total human T cell response to a complex infectious agent and will provide insight into the rules governing immunodominance and cross-reactivity in complex viral infections of humans. PMID:16147978

Modeling of Tracer Transport Delays for Improved Quantification of Regional Pulmonary 18F-FDG Kinetics, Vascular Transit Times, and Perfusion

PubMed Central

Wellman, Tyler J.; Winkler, Tilo; Vidal Melo, Marcos F.

2015-01-01

18F-FDG-PET is increasingly used to assess pulmonary inflammatory cell activity. However, current models of pulmonary 18F-FDG kinetics do not account for delays in 18F-FDG transport between the plasma sampling site and the lungs. We developed a three-compartment model of 18F-FDG kinetics that includes a delay between the right heart and the local capillary blood pool, and used this model to estimate regional pulmonary perfusion. We acquired dynamic 18F-FDG scans in 12 mechanically ventilated sheep divided into control and lung injury groups (n=6 each). The model was fit to tracer kinetics in three isogravitational regions-of-interest to estimate regional lung transport delays and regional perfusion. 13NN bolus infusion scans were acquired during a period of apnea to measure regional perfusion using an established reference method. The delayed input function model improved description of 18F-FDG kinetics (lower Akaike Information Criterion) in 98% of studied regions. Local transport delays ranged from 2.0–13.6s, averaging 6.4±2.9s, and were highest in non-dependent regions. Estimates of regional perfusion derived from model parameters were highly correlated with perfusion measurements based on 13NN-PET (R2=0.92, p<0.001). By incorporating local vascular transports delays, this model of pulmonary 18F-FDG kinetics allows for simultaneous assessment of regional lung perfusion, transit times, and inflammation. PMID:25940652

Reaction Kinetic Model of Dilute Acid-Catalyzed Hemicellulose Hydrolysis of Corn Stover under High-Solid Conditions

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

Shi, Suan; Guan, Wenjian; Kang, Li

High solid conditions are desirable in pretreatment of lignocellulosic biomass. An advanced dilute-acid pretreatment reactor has been developed at National Renewable Energy Laboratory (NREL). It is a continuous auger-driven reactor that can be operated with high-solid charge at high temperature and with short residence time resulting high productivity and high sugar concentration. Here, we investigated the kinetics of the reactions associated with dilute-acid pretreatment of corn stover, covering the reaction conditions of the NREL reactor operation: 155-185 C, 1-2 wt% sulfuric acid concentration, and 1:2 solid to liquid ratio. The experimental data were fitted to a first-order biphasic model whichmore » assumes that xylan is comprised of two different fragments: fast and slow reacting fractions. Due to the high solid loading condition, significant amount of xylose oligomers was observed during the pretreatment. We also included the oligomers as an intermediate entity in the kinetic model. The effect of acid concentration was incorporated into the pre-exponential factor of Arrhenius equation. The kinetic model with bestfit kinetic parameters has shown good agreement with experimental data. The kinetic parameter values of the proposed model were noticeably different from those previously reported. The activation energies of xylan hydrolysis are lower and the acid exponents are higher than the average of literature values. The proposed model can serve as a useful tool for design and operation of pretreatment system pertaining to corn stover.« less

Effect of kinetic energy on the doping efficiency of cesium cations into superfluid helium droplets

PubMed Central

Chen, Lei; Zhang, Jie; Freund, William M.; Kong, Wei

2015-01-01

We present an experimental investigation of the effect of kinetic energy on the ion doping efficiency of superfluid helium droplets using cesium cations from a thermionic emission source. The kinetic energy of Cs+ is controlled by the bias voltage of a collection grid collinearly arranged with the droplet beam. Efficient doping from ions with kinetic energies from 20 eV up to 480 V has been observed in different sized helium droplets. The relative ion doping efficiency is determined by both the kinetic energy of the ions and the average size of the droplet beam. At a fixed source temperature, the number of doped droplets increases with increasing grid voltage, while the relative ion doping efficiency decreases. This result implies that not all ions are captured upon encountering with a sufficiently large droplet, a deviation from the near unity doping efficiency for closed shell neutral molecules. We propose that this drop in ion doping efficiency with kinetic energy is related to the limited deceleration rate inside a helium droplet. When the source temperature changes from 14 K to 17 K, the relative ion doping efficiency decreases rapidly, perhaps due to the lack of viable sized droplets. The size distribution of the Cs+-doped droplet beam can be measured by deflection and by energy filtering. The observed doped droplet size is about 5 × 106 helium atoms when the source temperature is between 14 K and 17 K. PMID:26233132

Effect of kinetic energy on the doping efficiency of cesium cations into superfluid helium droplets

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

Chen, Lei; Zhang, Jie; Freund, William M.

We present an experimental investigation of the effect of kinetic energy on the ion doping efficiency of superfluid helium droplets using cesium cations from a thermionic emission source. The kinetic energy of Cs{sup +} is controlled by the bias voltage of a collection grid collinearly arranged with the droplet beam. Efficient doping from ions with kinetic energies from 20 eV up to 480 V has been observed in different sized helium droplets. The relative ion doping efficiency is determined by both the kinetic energy of the ions and the average size of the droplet beam. At a fixed source temperature,more » the number of doped droplets increases with increasing grid voltage, while the relative ion doping efficiency decreases. This result implies that not all ions are captured upon encountering with a sufficiently large droplet, a deviation from the near unity doping efficiency for closed shell neutral molecules. We propose that this drop in ion doping efficiency with kinetic energy is related to the limited deceleration rate inside a helium droplet. When the source temperature changes from 14 K to 17 K, the relative ion doping efficiency decreases rapidly, perhaps due to the lack of viable sized droplets. The size distribution of the Cs{sup +}-doped droplet beam can be measured by deflection and by energy filtering. The observed doped droplet size is about 5 × 10{sup 6} helium atoms when the source temperature is between 14 K and 17 K.« less

Effect of kinetic energy on the doping efficiency of cesium cations into superfluid helium droplets.

PubMed

Chen, Lei; Zhang, Jie; Freund, William M; Kong, Wei

2015-07-28

We present an experimental investigation of the effect of kinetic energy on the ion doping efficiency of superfluid helium droplets using cesium cations from a thermionic emission source. The kinetic energy of Cs(+) is controlled by the bias voltage of a collection grid collinearly arranged with the droplet beam. Efficient doping from ions with kinetic energies from 20 eV up to 480 V has been observed in different sized helium droplets. The relative ion doping efficiency is determined by both the kinetic energy of the ions and the average size of the droplet beam. At a fixed source temperature, the number of doped droplets increases with increasing grid voltage, while the relative ion doping efficiency decreases. This result implies that not all ions are captured upon encountering with a sufficiently large droplet, a deviation from the near unity doping efficiency for closed shell neutral molecules. We propose that this drop in ion doping efficiency with kinetic energy is related to the limited deceleration rate inside a helium droplet. When the source temperature changes from 14 K to 17 K, the relative ion doping efficiency decreases rapidly, perhaps due to the lack of viable sized droplets. The size distribution of the Cs(+)-doped droplet beam can be measured by deflection and by energy filtering. The observed doped droplet size is about 5 × 10(6) helium atoms when the source temperature is between 14 K and 17 K.

Reaction Kinetic Model of Dilute Acid-Catalyzed Hemicellulose Hydrolysis of Corn Stover under High-Solid Conditions

DOE PAGES

Shi, Suan; Guan, Wenjian; Kang, Li; ...

2017-09-13

High solid conditions are desirable in pretreatment of lignocellulosic biomass. An advanced dilute-acid pretreatment reactor has been developed at National Renewable Energy Laboratory (NREL). It is a continuous auger-driven reactor that can be operated with high-solid charge at high temperature and with short residence time resulting high productivity and high sugar concentration. Here, we investigated the kinetics of the reactions associated with dilute-acid pretreatment of corn stover, covering the reaction conditions of the NREL reactor operation: 155-185 C, 1-2 wt% sulfuric acid concentration, and 1:2 solid to liquid ratio. The experimental data were fitted to a first-order biphasic model whichmore » assumes that xylan is comprised of two different fragments: fast and slow reacting fractions. Due to the high solid loading condition, significant amount of xylose oligomers was observed during the pretreatment. We also included the oligomers as an intermediate entity in the kinetic model. The effect of acid concentration was incorporated into the pre-exponential factor of Arrhenius equation. The kinetic model with bestfit kinetic parameters has shown good agreement with experimental data. The kinetic parameter values of the proposed model were noticeably different from those previously reported. The activation energies of xylan hydrolysis are lower and the acid exponents are higher than the average of literature values. The proposed model can serve as a useful tool for design and operation of pretreatment system pertaining to corn stover.« less

Kinetic modeling of kraft delignification of Eucalyptus globulus

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

Santos, A.; Rodriguez, F.; Gilarranz, M.A.

1997-10-01

A kinetic model for the kraft pulping delignification of Eucalyptus globulus is proposed. This model is discriminated among some kinetic expressions often used in the literature, and the kinetic parameters are determined by fitting of experimental results. A total of 25 isothermal experiments at liquor-to-wood ratios of 50 and 5 L/kg have been carried out. Initial, bulk, and residual delignification stages have been observed during the lignin removal, the transitions being, referring to the lignin initial content, about 82 and 3%. Carbohydrate removal and effective alkali-metal and hydrosulfide consumption have been related with the lignin removal by means of effectivemore » stoichiometric coefficients for each stage, coefficients also being calculated by fitting of the experimental data. The kinetic model chosen has been used to simulate typical kraft pulping experiments carried out at nonisothermal conditions, using a temperature ramp. The model yields simulated values close to those obtained experimentally for the wood studied and also ably reproduces the trends of the literature data.« less

Colloid centrifugation of fresh stallion semen before cryopreservation decreased microorganism load of frozen-thawed semen without affecting seminal kinetics.

PubMed

Guimarães, T; Lopes, G; Pinto, M; Silva, E; Miranda, C; Correia, M J; Damásio, L; Thompson, G; Rocha, A

2015-01-15

Freezability of equine semen may be influenced by microorganism population of semen. The objective of this study was to verify the effect of single-layer density gradient centrifugation (SLC) of fresh semen before cryopreservation on semen's microbial load (ML) and sperm cells kinetics after freezing-thawing. For that, one ejaculate was collected from 20 healthy stallions and split into control (C) samples (cryopreserved without previous SLC) and SLC samples (subjected to SLC). Semen cryopreservation was performed according to the same protocol in both groups. Microbial load of each microorganism species and total microbial load (TML) expressed in colony-forming units (CFU/mL) as well as frozen-thawed sperm kinetics were assessed in both groups. Additional analysis of the TML was performed, subdividing the frozen-thawed samples in "suitable" (total motility ≥ 30%) and "unsuitable" (total motility < 30%) semen for freezing programs, and comparing the C and SLC groups within these subpopulations. After thawing, SLC samples had less (P < 0.05) TML (88.65 × 10(2) ± 83.8 × 10(2) CFU/mL) than C samples (155.69 × 10(2) ± 48.85 × 10(2) CFU/mL), mainly due to a reduction of Enterococcus spp. and Bacillus spp. A relationship between post-thaw motility and SLC effect on ML was noted, as only in samples with more than 30% total motility was ML reduced (P < 0.05) by SLC (from 51.33 × 10(2) ± 33.26 × 10(2) CFU/mL to 26.68 × 10(2) ± 12.39 × 10(2) CFU/mL in "suitable" frozen-thawed semen vs. 240.90 × 10(2) ± 498.20 × 10(2) to 139.30 × 10(2) ± 290.30 × 10(2) CFU/mL in "unsuitable" frozen-thawed semen). The effect of SLC on kinetics of frozen-thawed sperm cells was negligible. Copyright © 2015 Elsevier Inc. All rights reserved.

Influence of light-curing sources on polymerization reaction kinetics of a restorative system.

PubMed

D'Alpino, Paulo H P; Svizero, Nádia R; Pereira, José C; Rueggeberg, Frederick A; Carvalho, Ricardo M; Pashley, David H

2007-02-01

To determine the effect of using a variety of commercial light-curing units on polymerization of a dentin-bonding agent (Adper Single Bond) and of a resin composite (Filtek Z250). Infrared (IR) spectra were obtained kinetically at one scan/second at 2 cm(-1) resolution for a period of 5 minutes and were analyzed for: maximum conversion rate (%/s), time into exposure when maximum rate occurred (seconds), conversion at maximum rate (%), and total conversion (%) at 300 seconds by comparison of aliphatic-to-aromatic absorption IR peak ratios, before and after polymerization. Light units used were: QTH 540 mW/cm2 (XL3000); LED 750 mW/cm2 (Elipar FreeLight 2); PAC 2,130 mW/cm2 (ARC II). Exposure followed manufacturers' recommendations: dentin bonding agent for 10 seconds, RC for 20 seconds (QTH), and 10 seconds (LED and PAC). Polymerization kinetics was evaluated at the bottom surface (2.5 mm thick) for the resin composite and as a thin film for the dentin bonding agent on the diamond surface of an attenuated total reflectance accessory in the IR spectrometer. Values (n = 5) were compared using ANOVA and Tukey's pairwise post-hoc test: pre-set alpha 0.05. PAC produced the highest total conversion and conversion rate for the resin composite (P < 0.05). Total conversion was lower for dentin bonding adhesive using PAC than with LED or QTH (P < 0.05). LED provided the highest proportion of conversion at the maximum rate with respect to conversion at 300 seconds for both materials. QTH demonstrated the lowest maximum rate value that occurred at a longer time into exposure (P < 0.05). Polymerization kinetic parameters varied greatly between the restorative materials as well as among light-curing unit types when compared to values observed when using a QTH light as control.

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 investigation of the kinetics of radioligands, such kinetic characteristics should be considered.

Energy dynamics and current sheet structure in fluid and kinetic simulations of decaying magnetohydrodynamic turbulence

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

Makwana, K. D., E-mail: kirit.makwana@gmx.com; Cattaneo, F.; Zhdankin, V.

Simulations of decaying magnetohydrodynamic (MHD) turbulence are performed with a fluid and a kinetic code. The initial condition is an ensemble of long-wavelength, counter-propagating, shear-Alfvén waves, which interact and rapidly generate strong MHD turbulence. The total energy is conserved and the rate of turbulent energy decay is very similar in both codes, although the fluid code has numerical dissipation, whereas the kinetic code has kinetic dissipation. The inertial range power spectrum index is similar in both the codes. The fluid code shows a perpendicular wavenumber spectral slope of k{sub ⊥}{sup −1.3}. The kinetic code shows a spectral slope of k{submore » ⊥}{sup −1.5} for smaller simulation domain, and k{sub ⊥}{sup −1.3} for larger domain. We estimate that collisionless damping mechanisms in the kinetic code can account for the dissipation of the observed nonlinear energy cascade. Current sheets are geometrically characterized. Their lengths and widths are in good agreement between the two codes. The length scales linearly with the driving scale of the turbulence. In the fluid code, their thickness is determined by the grid resolution as there is no explicit diffusivity. In the kinetic code, their thickness is very close to the skin-depth, irrespective of the grid resolution. This work shows that kinetic codes can reproduce the MHD inertial range dynamics at large scales, while at the same time capturing important kinetic physics at small scales.« less

Wash Bottle Laboratory Exercises: Iodide-Catalyzed H[subscript 2]O[subscript 2] Decomposition Reaction Kinetics Using the Initial Rate Approach

ERIC Educational Resources Information Center

Barlag, Rebecca; Nyasulu, Frazier

2010-01-01

A wash bottle water displacement scheme is used to determine the kinetics of the iodide-catalyzed H[subscript 2]O[subscript 2] decomposition reaction. The reagents (total volume 5.00 mL) are added to a test tube that is placed in a wash bottle containing water. The mass of the water displaced in [approximately]60 s is measured. The reaction is…

Gas Pressure Monitored Iodide-Catalyzed Decomposition Kinetics of H[subscript 2]O[subscript 2]: Initial-Rate and Integrated-Rate Methods in the General Chemistry Lab

ERIC Educational Resources Information Center

Nyasulu, Frazier; Barlag, Rebecca

2010-01-01

The reaction kinetics of the iodide-catalyzed decomposition of [subscript 2]O[subscript 2] using the integrated-rate method is described. The method is based on the measurement of the total gas pressure using a datalogger and pressure sensor. This is a modification of a previously reported experiment based on the initial-rate approach. (Contains 2…

Effect of the Hartmann number on phase separation controlled by magnetic field for binary mixture system with large component ratio

NASA Astrophysics Data System (ADS)

Heping, Wang; Xiaoguang, Li; Duyang, Zang; Rui, Hu; Xingguo, Geng

2017-11-01

This paper presents an exploration for phase separation in a magnetic field using a coupled lattice Boltzmann method (LBM) with magnetohydrodynamics (MHD). The left vertical wall was kept at a constant magnetic field. Simulations were conducted by the strong magnetic field to enhance phase separation and increase the size of separated phases. The focus was on the effect of magnetic intensity by defining the Hartmann number (Ha) on the phase separation properties. The numerical investigation was carried out for different governing parameters, namely Ha and the component ratio of the mixed liquid. The effective morphological evolutions of phase separation in different magnetic fields were demonstrated. The patterns showed that the slant elliptical phases were created by increasing Ha, due to the formation and increase of magnetic torque and force. The dataset was rearranged for growth kinetics of magnetic phase separation in a plot by spherically averaged structure factor and the ratio of separated phases and total system. The results indicate that the increase in Ha can increase the average size of separated phases and accelerate the spinodal decomposition and domain growth stages. Specially for the larger component ratio of mixed phases, the separation degree was also significantly improved by increasing magnetic intensity. These numerical results provide guidance for setting the optimum condition for the phase separation induced by magnetic field.

Recruiting the Students to Fight Cancer: Total Synthesis of Goniothalamin

ERIC Educational Resources Information Center

Nahra, Fady; Riant, Olivier

2015-01-01

A modified total synthesis of (S)-goniothalamin is described for an advanced course in organic chemistry. This experiment gives students an opportunity to handle organometallic reagents and perform an enzymatic kinetic resolution and a metathesis reaction, all in the same synthesis. Furthermore, students learn flame-drying techniques for the…

Calculating High Speed Centrifugal Compressor Performance from Averaged Measurements

NASA Astrophysics Data System (ADS)

Lou, Fangyuan; Fleming, Ryan; Key, Nicole L.

2012-12-01

To improve the understanding of high performance centrifugal compressors found in modern aircraft engines, the aerodynamics through these machines must be experimentally studied. To accurately capture the complex flow phenomena through these devices, research facilities that can accurately simulate these flows are necessary. One such facility has been recently developed, and it is used in this paper to explore the effects of averaging total pressure and total temperature measurements to calculate compressor performance. Different averaging techniques (including area averaging, mass averaging, and work averaging) have been applied to the data. Results show that there is a negligible difference in both the calculated total pressure ratio and efficiency for the different techniques employed. However, the uncertainty in the performance parameters calculated with the different averaging techniques is significantly different, with area averaging providing the least uncertainty.

Pre-Steady-State Kinetic Analysis of Truncated and Full-Length Saccharomyces cerevisiae DNA Polymerase Eta

PubMed Central

Brown, Jessica A.; Zhang, Likui; Sherrer, Shanen M.; Taylor, John-Stephen; Burgers, Peter M. J.; Suo, Zucai

2010-01-01

Understanding polymerase fidelity is an important objective towards ascertaining the overall stability of an organism's genome. Saccharomyces cerevisiae DNA polymerase η (yPolη), a Y-family DNA polymerase, is known to efficiently bypass DNA lesions (e.g., pyrimidine dimers) in vivo. Using pre-steady-state kinetic methods, we examined both full-length and a truncated version of yPolη which contains only the polymerase domain. In the absence of yPolη's C-terminal residues 514–632, the DNA binding affinity was weakened by 2-fold and the base substitution fidelity dropped by 3-fold. Thus, the C-terminus of yPolη may interact with DNA and slightly alter the conformation of the polymerase domain during catalysis. In general, yPolη discriminated between a correct and incorrect nucleotide more during the incorporation step (50-fold on average) than the ground-state binding step (18-fold on average). Blunt-end additions of dATP or pyrene nucleotide 5′-triphosphate revealed the importance of base stacking during the binding of incorrect incoming nucleotides. PMID:20798853

Degradation of anionic surfactants during drying of UASBR sludges on sand drying beds.

PubMed

Mungray, Arvind Kumar; Kumar, Pradeep

2008-09-01

Anionic surfactant (AS) concentrations in wet up-flow anaerobic sludge blanket reactor (UASBR) sludges from five sewage treatment plants (STPs) were found to range from 4480 to 9,233 mg kg(-1)dry wt. (average 7,347 mg kg(-1)dry wt.) over a period of 18 months. After drying on sand drying beds (SDBs), AS in dried-stabilized sludges averaged 1,452 mg kg(-1)dry wt., a reduction of around 80%. The kinetics of drying followed simple first-order reduction of moisture with value of drying constant (k(d))=0.051 d(-1). Reduction of AS also followed first-order kinetics. AS degradation rate constant (k(AS)) was found to be 0.034 d(-1) and half-life of AS as 20 days. The order of rates of removal observed was k(d)>k(AS)>k(COD)>k(OM) (drying >AS degradation>COD reduction>organic matter reduction). For the three applications of dried-stabilized sludges (soil, agricultural soil, grassland), values of risk quotient (RQ) were found to be <1, indicating no risk.

Kinetic theory of situated agents applied to pedestrian flow in a corridor

NASA Astrophysics Data System (ADS)

Rangel-Huerta, A.; Muñoz-Meléndez, A.

2010-03-01

A situated agent-based model for simulation of pedestrian flow in a corridor is presented. In this model, pedestrians choose their paths freely and make decisions based on local criteria for solving collision conflicts. The crowd consists of multiple walking agents equipped with a function of perception as well as a competitive rule-based strategy that enables pedestrians to reach free access areas. Pedestrians in our model are autonomous entities capable of perceiving and making decisions. They apply socially accepted conventions, such as avoidance rules, as well as individual preferences such as the use of specific exit points, or the execution of eventual comfort turns resulting in spontaneous changes of walking speed. Periodic boundary conditions were considered in order to determine the density-average walking speed, and the density-average activity with respect to specific parameters: comfort angle turn and frequency of angle turn of walking agents. The main contribution of this work is an agent-based model where each pedestrian is represented as an autonomous agent. At the same time the pedestrian crowd dynamics is framed by the kinetic theory of biological systems.

Coexistence of a well-determined kinetic law and a scale-invariant power law during the same physical process

NASA Astrophysics Data System (ADS)

Zreihan, Noam; Faran, Eilon; Vives, Eduard; Planes, Antoni; Shilo, Doron

2018-01-01

It is generally claimed that physical processes which display scale-invariant power-law distributions are subjected to a dynamic criticality that prohibits a well-defined kinetic law. In this paper, we demonstrate the coexistence of these two apparently contradicting behaviors during the same physical process—the motion of type-II twin boundaries in martensite Ni-Mn-Ga. The process is investigated by combined measurements of the temporal twin-boundary velocity and the acoustic emitted energy. Velocity values are extracted from high-resolution force measurements taken during displacement-driven mechanical tests, as well as from force-driven magnetic tests, and cover an overall range of six orders of magnitude. Acoustic emission (AE) is measured during mechanical tests. Velocity values follow a normal distribution whose characteristic value is determined by the material's kinetic relation, and its width scales with the average velocity. In addition, it is observed that velocity distributions are characterized by a heavy tail at the right (i.e., faster) end that exhibits a power law over more than one and a half orders of magnitude. At the same time, the AE signals follow a scale-invariant power-law distribution, which is not sensitive to the average twin-boundary velocity. The coexistence of these two different statistical behaviors reflects the complex nature of twin-boundary motion and suggests the possibility that the transformation proceeds through physical subprocesses that are close to criticality alongside other processes that are not.

Time-course, negative-stain electron microscopy–based analysis for investigating protein–protein interactions at the single-molecule level

PubMed Central

Nogal, Bartek; Bowman, Charles A.; Ward, Andrew B.

2017-01-01

Several biophysical approaches are available to study protein–protein interactions. Most approaches are conducted in bulk solution, and are therefore limited to an average measurement of the ensemble of molecular interactions. Here, we show how single-particle EM can enrich our understanding of protein–protein interactions at the single-molecule level and potentially capture states that are unobservable with ensemble methods because they are below the limit of detection or not conducted on an appropriate time scale. Using the HIV-1 envelope glycoprotein (Env) and its interaction with receptor CD4-binding site neutralizing antibodies as a model system, we both corroborate ensemble kinetics-derived parameters and demonstrate how time-course EM can further dissect stoichiometric states of complexes that are not readily observable with other methods. Visualization of the kinetics and stoichiometry of Env–antibody complexes demonstrated the applicability of our approach to qualitatively and semi-quantitatively differentiate two highly similar neutralizing antibodies. Furthermore, implementation of machine-learning techniques for sorting class averages of these complexes into discrete subclasses of particles helped reduce human bias. Our data provide proof of concept that single-particle EM can be used to generate a “visual” kinetic profile that should be amenable to studying many other protein–protein interactions, is relatively simple and complementary to well-established biophysical approaches. Moreover, our method provides critical insights into broadly neutralizing antibody recognition of Env, which may inform vaccine immunogen design and immunotherapeutic development. PMID:28972148

Mobility of large clusters on a semiconductor surface: Kinetic Monte Carlo simulation results

NASA Astrophysics Data System (ADS)

M, Esen; A, T. Tüzemen; M, Ozdemir

2016-01-01

The mobility of clusters on a semiconductor surface for various values of cluster size is studied as a function of temperature by kinetic Monte Carlo method. The cluster resides on the surface of a square grid. Kinetic processes such as the diffusion of single particles on the surface, their attachment and detachment to/from clusters, diffusion of particles along cluster edges are considered. The clusters considered in this study consist of 150-6000 atoms per cluster on average. A statistical probability of motion to each direction is assigned to each particle where a particle with four nearest neighbors is assumed to be immobile. The mobility of a cluster is found from the root mean square displacement of the center of mass of the cluster as a function of time. It is found that the diffusion coefficient of clusters goes as D = A(T)Nα where N is the average number of particles in the cluster, A(T) is a temperature-dependent constant and α is a parameter with a value of about -0.64 < α < -0.75. The value of α is found to be independent of cluster sizes and temperature values (170-220 K) considered in this study. As the diffusion along the perimeter of the cluster becomes prohibitive, the exponent approaches a value of -0.5. The diffusion coefficient is found to change by one order of magnitude as a function of cluster size.

Comparison of two turbulence models in simulating an axisymmetric jet evolving into a tank

NASA Astrophysics Data System (ADS)

Zidouni Kendil, F.; Danciu, D.-V.; Lucas, D.; Bousbia Salah, A.; Mataoui, A.

2011-12-01

Experiments and computational fluid dynamics (CFD) simulations have been carried out to investigate a turbulent water jet plunging into a tank filled with the same liquid. To avoid air bubble entrainment which may be caused by surface instabilities, the free falling length of the jet is set to zero. For both impinging region and recirculation zone, measurements are made using Particle Image Velocimetry (PIV). Instantaneous- and time-averaged velocity fields are obtained. Numerical data is obtained on the basis of both κ - epsilon and SSG (Speziale, Sarkar and Gatski) of Reynolds Stresses Turbulent Model (RSM) in three dimensional frame and compared to experimental results via the axial velocity and turbulent kinetic energy. For axial distances lower than 5cm from the jet impact point, the axial velocity matches well the measurements, using both models. A progressive difference is found near the jet for higher axial distances from the jet impact point. Nevertheless, the turbulence kinetic energy agrees very well with the measurements when applying the SSG-RSM model for the lower part of the tank, whereas it is underestimated in the upper region. Inversely, the κ - epsilon model shows better results in the upper part of the water tank and underestimates results for the lower part of the water tank. From the overall results, it can be concluded that, for single phase flow, the κ - epsilon model describes well the average axial velocity, whereas the turbulence kinetic energy is better represented by the SSG-RSM model.

Correcting speleothem oxygen isotopic variations for growth-rate controlled kinetic fractionation effects

NASA Astrophysics Data System (ADS)

Stoll, Heather; Moreno, Ana; Cacho, Isabel; Mendez Vicence, Ana; Gonzalez Lemos, Saul; Pirla Casasayas, Gemma; Cheng, Hai; Wang, Xianfeng; Edwards, R. Lawrence

2015-04-01

The oxygen isotopic signature may be the most widely used climate indicator in stalagmites, but recent experimental and theoretical studies indicate the potential for kinetic fractionation effects which may be significant, especially in situations where the primary signal from rainfall isotopic composition and cave temperature is limited to a few permil. Here we use a natural set of stalagmites to illustrate the magnitude of such effects and the potential for deconvolving kinetic signals from the primary temperature and rainfall signals. We compare isotopic records from 6 coeval stalagmites covering the interval 140 to 70 ka, from two proximal caves in NW Spain which experienced the same primary variations in temperature and rainfall d18O, but exhibit a large range in growth rates and temporal trends in growth rate. Stalagmites growing at faster rates near 50 microns/year have oxygen isotopic ratios more than 1 permil more negative than coeval stalagmites with very slow (5 micron/year) growth rates. Because growth rate variations also occur over time within any given stalagmite, the measured oxygen isotopic time series for a given stalagmite includes both climatic and kinetic components. Removal of the kinetic component of variation in each stalagmite, based on the dependence of the kinetic component on growth rate, is effective at distilling a common temporal evolution among the oxygen isotopic records of the multiple stalagmites. However, this approach is limited by the quality of the age model. For time periods characterized by very slow growth and long durations between dates, the presence of crypto-hiatus may result in average growth rates which underestimate the instantaneous speleothem deposition rates and which therefore underestimate the magnitude of kinetic effects. We compare the composite corrected oxygen isotopic record with other records of the timing of glacial inception in the North Atlantic realm.

Interchange mode excited by trapped energetic ions

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

Nishimura, Seiya, E-mail: n-seiya@kobe-kosen.ac.jp

2015-07-15

The kinetic energy principle describing the interaction between ideal magnetohydrodynamic (MHD) modes with trapped energetic ions is revised. A model is proposed on the basis of the reduced ideal MHD equations for background plasmas and the bounce-averaged drift-kinetic equation for trapped energetic ions. The model is applicable to large-aspect-ratio toroidal devices. Specifically, the effect of trapped energetic ions on the interchange mode in helical systems is analyzed. Results show that the interchange mode is excited by trapped energetic ions, even if the equilibrium states are stable to the ideal interchange mode. The energetic-ion-induced branch of the interchange mode might bemore » associated with the fishbone mode in helical systems.« less

Solar energy dryer kinetics using flat-plate finned collector and forced convection for potato drying

NASA Astrophysics Data System (ADS)

Batubara, Fatimah; Misran, Erni; Dina, Sari Farah; Heppy

2017-06-01

Research on potato drying using the indirect solar dryer with flat-plate finned collector and forced convection has been done. The research was conducted at the outdoor field of Laboratory of Institute for Research and Standardization of Industry on June 14th-23rd, 2016 from 9:00 am to 4:00 pm. This research aims to obtain the drying kinetics model of potato (Solanumtuberosum L.) using an indirect solar dryer's (ISD) with flat plate-finned collector and forced convection. The result will be compared to the open sun drying (OSD) method. Weather conditions during the drying process took place as follows; surrounding air temperature was in the range 27 to 34.7 °C, relative humidity (RH) 29.5 to 61.0% and the intensity of solar radiation 105.6 to 863.1 Watt/m2. The dried potato thicknesses were 1.0 cm, 1.5 cm and 2.0 cm, with the average initial water content of 76.46%. The average temperature in the collector chamber ranged from 42.2 to 57.4 °C and the drying chamber was at 46.2 °C. The best drying result was obtained from a sample size of 1 cm thickness using the IDS method with an average drying rate of 0.018 kg H2O per kg dry-weight.hour and the water content was constant at 5.02% in 21 hours of drying time. The most suitable kinetics model is Page model, equation MR = exp (-0.049 t1,336) for 1.0 cm thickness, exp (-0.066 t1,222) for 1.5 cm thickness and exp (-0.049 t1,221) for 2.0 cm thickness. The quality of potato drying using ISD method is better than using OSD which can be seen from the color produced.

Invariance and optimality in the regulation of an enzyme

PubMed Central

2013-01-01

Background The Michaelis-Menten equation, proposed a century ago, describes the kinetics of enzyme-catalyzed biochemical reactions. Since then, this equation has been used in countless, increasingly complex models of cellular metabolism, often including time-dependent enzyme levels. However, even for a single reaction, there remains a fundamental disconnect between our understanding of the reaction kinetics, and the regulation of that reaction through changes in the abundance of active enzyme. Results We revisit the Michaelis-Menten equation under the assumption of a time-dependent enzyme concentration. We show that all temporal enzyme profiles with the same average enzyme level yield identical substrate degradation– a simple analytical conclusion that can be thought of as an invariance principle, and which we validate experimentally using a β-galactosidase assay. The ensemble of all time-dependent enzyme trajectories with the same average concentration constitutes a space of functions. We develop a simple model of biological fitness which assigns a cost to each of these trajectories (in the form of a function of functions, i.e. a functional). We then show how one can use variational calculus to analytically infer temporal enzyme profiles that minimize the overall enzyme cost. In particular, by separately treating the static costs of amino acid sequestration and the dynamic costs of protein production, we identify a fundamental cellular tradeoff. Conclusions The overall metabolic outcome of a reaction described by Michaelis-Menten kinetics is ultimately determined by the average concentration of the enzyme during a given time interval. This invariance in analogy to path-independent phenomena in physics, suggests a new way in which variational calculus can be employed to address biological questions. Together, our results point to possible avenues for a unified approach to studying metabolism and its regulation. Reviewers This article was reviewed by Sergei Maslov, William Hlavacek and Daniel Kahn. PMID:23522082

Evaluation of the Environmental Bias on Accelerometer-Measured Total Daily Activity Counts and Owner Survey Responses in Dogs with Osteoarthritis.

PubMed

Katz, Erin M; Scott, Ruth M; Thomson, Christopher B; Mesa, Eileen; Evans, Richard; Conzemius, Michael G

2017-11-01

Objective  To determine if environmental variables affect the average daily activity counts (AC) of dogs with osteoarthritis (OA) and/or owners' perception of their dog's clinical signs or quality of life. Methods  The AC and Canine Brief Pain Inventory (CBPI) owner questionnaires of 62 dogs with OA were compared with daily environmental variables including the following: average temperature (°C), high temperature (°C), low temperature (°C), relative humidity (%), total precipitation (mm), average barometric pressure (hPa) and total daylight hours. Results  Daily AC significantly correlated with average temperature and total daylight hours, but average temperature and total daylight hours accounted for less than 1% of variation in AC. No other significant relationships were found between daily AC and daily high temperature, low temperature, relative humidity, total precipitation or average barometric pressure. No statistical relationship was found between daily AC and the CBPI, nor between environmental variables and the CBPI. Canine Brief Pain Inventory scores for pain severity and pain interference decreased significantly over the test period. Clinical Significance  The relationship between daily AC and average temperature and total daylight hours was significant, but unlikely to be clinically significant. Thus, environmental variables do not appear to have a clinically relevant bias on AC or owner CBPI questionnaires. The decrease over time in CBPI pain severity and pain interference values suggests owners completing the CBPI in this study were influenced by a caregiver placebo effect. Schattauer GmbH Stuttgart.

ATLASGAL-selected massive clumps in the inner Galaxy. VI. Kinetic temperature and spatial density measured with formaldehyde

NASA Astrophysics Data System (ADS)

Tang, X. D.; Henkel, C.; Wyrowski, F.; Giannetti, A.; Menten, K. M.; Csengeri, T.; Leurini, S.; Urquhart, J. S.; König, C.; Güsten, R.; Lin, Y. X.; Zheng, X. W.; Esimbek, J.; Zhou, J. J.

2018-03-01

Context. Formaldehyde (H2CO) is a reliable tracer to accurately measure the physical parameters of dense gas in star-forming regions. Aim. We aim to determine directly the kinetic temperature and spatial density with formaldehyde for the 100 brightest ATLASGAL-selected clumps (the TOP100 sample) at 870 μm representing various evolutionary stages of high-mass star formation. Methods: Ten transitions (J = 3-2 and 4-3) of ortho- and para-H2CO near 211, 218, 225, and 291 GHz were observed with the Atacama Pathfinder EXperiment (APEX) 12 m telescope. Results: Using non-LTE models with RADEX, we derived the gas kinetic temperature and spatial density with the measured para-H2CO 321-220/303-202, 422-321/404-303, and 404-303/303-202 ratios. The gas kinetic temperatures derived from the para-H2CO 321-220/303-202 and 422-321/404-303 line ratios are high, ranging from 43 to >300 K with an unweighted average of 91 ± 4 K. Deduced Tkin values from the J = 3-2 and 4-3 transitions are similar. Spatial densities of the gas derived from the para-H2CO 404-303/303-202 line ratios yield 0.6-8.3 × 106 cm-3 with an unweighted average of 1.5 (±0.1) × 106 cm-3. A comparison of kinetic temperatures derived from para-H2CO, NH3, and dust emission indicates that para-H2CO traces a distinctly higher temperature than the NH3 (2, 2)/(1, 1) transitions and the dust, tracing heated gas more directly associated with the star formation process. The H2CO line widths are found to be correlated with bolometric luminosity and increase with the evolutionary stage of the clumps, which suggests that higher luminosities tend to be associated with a more turbulent molecular medium. It seems that the spatial densities measured with H2CO do not vary significantly with the evolutionary stage of the clumps. However, averaged gas kinetic temperatures derived from H2CO increase with time through the evolution of the clumps. The high temperature of the gas traced by H2CO may be mainly caused by radiation from embedded young massive stars and the interaction of outflows with the ambient medium. For Lbol/Mclump ≳ 10 L⊙/M⊙, we find a rough correlation between gas kinetic temperature and this ratio, which is indicative of the evolutionary stage of the individual clumps. The strong relationship between H2CO line luminosities and clump masses is apparently linear during the late evolutionary stages of the clumps, indicating that LH_2CO does reliably trace the mass of warm dense molecular gas. In our massive clumps H2CO line luminosities are approximately linearly correlated with bolometric luminosities over about four orders of magnitude in Lbol, which suggests that the mass of dense molecular gas traced by the H2CO line luminosity is well correlated with star formation. Source and H2CO parameters (Tables A.1-A.7) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/611/A6

Temperature-Dependent Kinetic Study of Ammonia Oxidation Reaction on Gas Diffusion Electrodes in NH 3-Saturated 1 M KOH Solutions

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

Liang, Z.; Song, L.; Ma, Z.

Ammonia oxidation reaction (AOR) is sluggish, especially at ambient temperature. To make kinetic study in electrochemical cell more informative and relevant to the catalysts’ performance in direct ammonia fuel cells (DAFCs) operating at about 100°C, it is desirable to study the AOR kinetics at elevated temperatures. However, ammonia evaporation accelerates with increasing temperature causing decrease of ammonia concentration with time. Here, we show a feasible solution to this issue - let argon gas bubble through concentrated ammonia before entering the electrochemical cell so that the solution can be kept ammonia saturated and oxygen free. Repeatable AOR polarization curves were obtainedmore » at temperatures up to 60°C. The AOR activities are characterized by the average currents at 0.5 V versus RHE measured at 20 mV s-1 in potential cycles below the potential of peak current. For PtIr/C, the PGM mass activities are 25 A g-1 at 25°C and 225 A g -1 at 60°C. The results for Pt/C and Ir/C and discussion of the causes for their distinct kinetic behavior will be presented at the meeting.« less

Modeling the kinetics of survival of Staphylococcus aureus in regional yogurt from goat's milk.

PubMed

Bednarko-Młynarczyk, E; Szteyn, J; Białobrzewski, I; Wiszniewska-Łaszczych, A; Liedtke, K

2015-01-01

The aim of this study was to determine the kinetics of the survival of the test strain of Staphylococcus aureus in the product investigated. Yogurt samples were contaminated with S. aure to an initial level of 10(3)-10(4) cfu/g. The samples were then stored at four temperatures: 4, 6, 20, 22°C. During storage, the number of S. aureus forming colonies in a gram of yogurt was determined every two hours. Based on the results of the analysis culture the curves of survival were plotted. Three primary models were selected to describe the kinetics of changes in the count of bacteria: Cole's model, a modified model of Gompertz and the model of Baranyi and Roberts. Analysis of the model fit carried out based on the average values of Pearson's correlation coefficient, between the modeled and measured values, showed that the Cole's model had the worst fit. The modified Gompertz model showed the count of S. aureus as a negative value. These drawbacks were not observed in the model of Baranyi and Roberts. For this reason, this model best reflects the kinetics of changes in the number of staphylococci in yogurt.

Temperature-Dependent Kinetic Study of Ammonia Oxidation Reaction on Gas Diffusion Electrodes in NH 3-Saturated 1 M KOH Solutions

DOE PAGES

Liang, Z.; Song, L.; Ma, Z.; ...

2018-04-01

Ammonia oxidation reaction (AOR) is sluggish, especially at ambient temperature. To make kinetic study in electrochemical cell more informative and relevant to the catalysts’ performance in direct ammonia fuel cells (DAFCs) operating at about 100°C, it is desirable to study the AOR kinetics at elevated temperatures. However, ammonia evaporation accelerates with increasing temperature causing decrease of ammonia concentration with time. Here, we show a feasible solution to this issue - let argon gas bubble through concentrated ammonia before entering the electrochemical cell so that the solution can be kept ammonia saturated and oxygen free. Repeatable AOR polarization curves were obtainedmore » at temperatures up to 60°C. The AOR activities are characterized by the average currents at 0.5 V versus RHE measured at 20 mV s-1 in potential cycles below the potential of peak current. For PtIr/C, the PGM mass activities are 25 A g-1 at 25°C and 225 A g -1 at 60°C. The results for Pt/C and Ir/C and discussion of the causes for their distinct kinetic behavior will be presented at the meeting.« less

An adaptive bias - hybrid MD/kMC algorithm for protein folding and aggregation.

PubMed

Peter, Emanuel K; Shea, Joan-Emma

2017-07-05

In this paper, we present a novel hybrid Molecular Dynamics/kinetic Monte Carlo (MD/kMC) algorithm and apply it to protein folding and aggregation in explicit solvent. The new algorithm uses a dynamical definition of biases throughout the MD component of the simulation, normalized in relation to the unbiased forces. The algorithm guarantees sampling of the underlying ensemble in dependency of one average linear coupling factor 〈α〉 τ . We test the validity of the kinetics in simulations of dialanine and compare dihedral transition kinetics with long-time MD-simulations. We find that for low 〈α〉 τ values, kinetics are in good quantitative agreement. In folding simulations of TrpCage and TrpZip4 in explicit solvent, we also find good quantitative agreement with experimental results and prior MD/kMC simulations. Finally, we apply our algorithm to study growth of the Alzheimer Amyloid Aβ 16-22 fibril by monomer addition. We observe two possible binding modes, one at the extremity of the fibril (elongation) and one on the surface of the fibril (lateral growth), on timescales ranging from ns to 8 μs.

Separation of time scales in one-dimensional directed nucleation-growth processes

NASA Astrophysics Data System (ADS)

Pierobon, Paolo; Miné-Hattab, Judith; Cappello, Giovanni; Viovy, Jean-Louis; Lagomarsino, Marco Cosentino

2010-12-01

Proteins involved in homologous recombination such as RecA and hRad51 polymerize on single- and double-stranded DNA according to a nucleation-growth kinetics, which can be monitored by single-molecule in vitro assays. The basic models currently used to extract biochemical rates rely on ensemble averages and are typically based on an underlying process of bidirectional polymerization, in contrast with the often observed anisotropic polymerization of similar proteins. For these reasons, if one considers single-molecule experiments, the available models are useful to understand observations only in some regimes. In particular, recent experiments have highlighted a steplike polymerization kinetics. The classical model of one-dimensional nucleation growth, the Kolmogorov-Avrami-Mehl-Johnson (KAMJ) model, predicts the correct polymerization kinetics only in some regimes and fails to predict the steplike behavior. This work illustrates by simulations and analytical arguments the limitation of applicability of the KAMJ description and proposes a minimal model for the statistics of the steps based on the so-called stick-breaking stochastic process. We argue that this insight might be useful to extract information on the time and length scales involved in the polymerization kinetics.

Organosolv delignification of Eucalyptus globulus: Kinetic study of autocatalyzed ethanol pulping

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

Oliet, M.; Rodriguez, F.; Santos, A.

2000-01-01

The autocatalyzed delignification of Eucalyptus globulus in 50% ethanol (w/w) was modeled as the irreversible and consecutive dissolution of initial, bulk, and residual lignin. Their respective contributions to total lignin was estimated as 9, 75, and 16%. Isothermal pulping experiments were carried out to evaluate an empirical kinetic model among eight proposals corresponding to different reaction schemes. The calculated activation energy was found to be 96.5, 98.5, and 40.8 kJ/mol for initial, bulk, and residual delignification, respectively. The influence of hydrogen ion concentration was expressed by a power-law function model. The kinetic model developed here was validated using data frommore » nonisothermal pulping runs.« less

Vibrational kinetics in CO electric discharge lasers - Modeling and experiments

NASA Technical Reports Server (NTRS)

Stanton, A. C.; Hanson, R. K.; Mitchner, M.

1980-01-01

A model of CO laser vibrational kinetics is developed, and predicted vibrational distributions are compared with measurements. The experimental distributions were obtained at various flow locations in a transverse CW discharge in supersonic (M = 3) flow. Good qualitative agreement is obtained in the comparisons, including the prediction of a total inversion at low discharge current densities. The major area of discrepancy is an observed loss in vibrational energy downstream of the discharge which is not predicted by the model. This discrepancy may be due to three-dimensional effects in the experiment which are not included in the model. Possible kinetic effects which may contribute to vibrational energy loss are also examined.

A second-order accurate kinetic-theory-based method for inviscid compressible flows

NASA Technical Reports Server (NTRS)

Deshpande, Suresh M.

1986-01-01

An upwind method for the numerical solution of the Euler equations is presented. This method, called the kinetic numerical method (KNM), is based on the fact that the Euler equations are moments of the Boltzmann equation of the kinetic theory of gases when the distribution function is Maxwellian. The KNM consists of two phases, the convection phase and the collision phase. The method is unconditionally stable and explicit. It is highly vectorizable and can be easily made total variation diminishing for the distribution function by a suitable choice of the interpolation strategy. The method is applied to a one-dimensional shock-propagation problem and to a two-dimensional shock-reflection problem.

Statistical errors in molecular dynamics averages

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

Schiferl, S.K.; Wallace, D.C.

1985-11-15

A molecular dynamics calculation produces a time-dependent fluctuating signal whose average is a thermodynamic quantity of interest. The average of the kinetic energy, for example, is proportional to the temperature. A procedure is described for determining when the molecular dynamics system is in equilibrium with respect to a given variable, according to the condition that the mean and the bandwidth of the signal should be sensibly constant in time. Confidence limits for the mean are obtained from an analysis of a finite length of the equilibrium signal. The role of serial correlation in this analysis is discussed. The occurence ofmore » unstable behavior in molecular dynamics data is noted, and a statistical test for a level shift is described.« less

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

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.

New Approach for Studying Slow Fragmentation Kinetics in FT-ICR: Surface-Induced Dissociation Combined with Resonant Ejection

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

Laskin, Julia; Futrell, Jean H.

2015-02-01

We introduce a new approach for studying the kinetics of large ion fragmentation in the gas phase by coupling surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer with resonant ejection of selected fragment ions using a relatively short (5 ms) ejection pulse. The approach is demonstrated for singly protonated angiotensin III ions excited by collisions with a self-assembled monolayer of alkylthiol on gold (HSAM). The overall decomposition rate and rate constants of individual reaction channels are controlled by varying the kinetic energy of the precursor ion in a range of 65–95 eV. The kinetics of peptidemore » fragmentation are probed by varying the delay time between resonant ejection and fragment ion detection at a constant total reaction time. RRKM modeling indicates that the shape of the kinetics plots is strongly affected by the shape and position of the energy deposition function (EDF) describing the internal energy distribution of the ion following ion-surface collision. Modeling of the kinetics data provides detailed information on the shape of the EDF and energy and entropy effects of individual reaction channels.« less

Ammonium Removal from Aqueous Solutions by Clinoptilolite: Determination of Isotherm and Thermodynamic Parameters and Comparison of Kinetics by the Double Exponential Model and Conventional Kinetic Models

PubMed Central

Tosun, İsmail

2012-01-01

The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R)) and four three-parameter (Redlich-Peterson (R-P), Sips, Toth and Khan) isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E) from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R2) of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM) showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients. PMID:22690177

Ammonium removal from aqueous solutions by clinoptilolite: determination of isotherm and thermodynamic parameters and comparison of kinetics by the double exponential model and conventional kinetic models.

PubMed

Tosun, Ismail

2012-03-01

The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R)) and four three-parameter (Redlich-Peterson (R-P), Sips, Toth and Khan) isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E) from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R(2)) of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM) showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients.

First-order kinetics of landfill leachate treatment in a pilot-scale anaerobic sequence batch biofilm reactor.

PubMed

Contrera, Ronan Cleber; da Cruz Silva, Katia Cristina; Morita, Dione Mari; Domingues Rodrigues, José Alberto; Zaiat, Marcelo; Schalch, Valdir

2014-12-01

This paper reports the kinetics evaluation of landfill leachate anaerobic treatment in a pilot-scale Anaerobic Sequence Batch Biofilm Reactor (AnSBBR). The experiment was carried out at room temperature (23.8 ± 2.1 °C) in the landfill area in São Carlos-SP, Brazil. Biomass from the bottom of a local landfill leachate stabilization pond was used as inoculum. After acclimated and utilizing leachate directly from the landfill, the AnSBBR presented efficiency over 70%, in terms of COD removal, with influent COD ranging from 4825 mg L(-1) to 12,330 mg L(-1). To evaluate the kinetics of landfill leachate treatment, temporal profiles of CODFilt. concentration were performed and a first-order kinetics model was adjusted for substrate consumption, obtaining an average k1 = 4.40 × 10(-5) L mgTVS(-1) d(-1), corrected to 25 °C. Considering the temperature variations, a temperature-activity coefficient θ = 1.07 was obtained. Statistical "Randomness" and "F" tests were used to successfully validate the model considered. Thus, the results demonstrate that the first-order kinetic model is adequate to model the anaerobic treatment of the landfill leachate in the AnSBBR. Copyright © 2014 Elsevier Ltd. All rights reserved.

A universal approach to determine footfall timings from kinematics of a single foot marker in hoofed animals

PubMed Central

Clayton, Hilary M.

2015-01-01

The study of animal movement commonly requires the segmentation of continuous data streams into individual strides. The use of forceplates and foot-mounted accelerometers readily allows the detection of the foot-on and foot-off events that define a stride. However, when relying on optical methods such as motion capture, there is lack of validated robust, universally applicable stride event detection methods. To date, no method has been validated for movement on a circle, while algorithms are commonly specific to front/hind limbs or gait. In this study, we aimed to develop and validate kinematic stride segmentation methods applicable to movement on straight line and circle at walk and trot, which exclusively rely on a single, dorsal hoof marker. The advantage of such marker placement is the robustness to marker loss and occlusion. Eight horses walked and trotted on a straight line and in a circle over an array of multiple forceplates. Kinetic events were detected based on the vertical force profile and used as the reference values. Kinematic events were detected based on displacement, velocity or acceleration signals of the dorsal hoof marker depending on the algorithm using (i) defined thresholds associated with derived movement signals and (ii) specific events in the derived movement signals. Method comparison was performed by calculating limits of agreement, accuracy, between-horse precision and within-horse precision based on differences between kinetic and kinematic event. In addition, we examined the effect of force thresholds ranging from 50 to 150 N on the timings of kinetic events. The two approaches resulted in very good and comparable performance: of the 3,074 processed footfall events, 95% of individual foot on and foot off events differed by no more than 26 ms from the kinetic event, with average accuracy between −11 and 10 ms and average within- and between horse precision ≤8 ms. While the event-based method may be less likely to suffer from scaling effects, on soft ground the threshold-based method may prove more valuable. While we found that use of velocity thresholds for foot on detection results in biased event estimates for the foot on the inside of the circle at trot, adjusting thresholds for this condition negated the effect. For the final four algorithms, we found no noteworthy bias between conditions or between front- and hind-foot timings. Different force thresholds in the range of 50 to 150 N had the greatest systematic effect on foot-off estimates in the hind limbs (up to on average 16 ms per condition), being greater than the effect on foot-on estimates or foot-off estimates in the forelimbs (up to on average ±7 ms per condition). PMID:26157641

Kinetics of carotenoids degradation and furosine formation in dried apricots (Prunus armeniaca L.).

PubMed

Fratianni, A; Niro, S; Messia, M C; Cinquanta, L; Panfili, G; Albanese, D; Di Matteo, M

2017-09-01

The kinetics of carotenoid and color degradation, as well as furosine formation, were investigated in apricot fruits during convective heating at 50, 60 and 70°C. Degradation of carotenoids and color, expressed as total color difference (TCD), followed a first and zero order kinetic, respectively. The activation energy (Ea) for carotenoids degradation ranged from 73.7kJ/mol for 13-cis-β-carotene to 120.7kJ/mol for lutein, being about 91kJ/mol for all-trans-β-carotene. Violaxanthin and anteraxanthin were the most susceptible to thermal treatment. The furosine evolution was fitted at zero order kinetic model. The Ea for furosine formation was found to be 83.3kJ/mol and the Q 10 (temperature coefficient) varied from 1.59 to 4.14 at the temperature ranges 50-60°C and 60-70°C, respectively. Copyright © 2016 Elsevier Ltd. All rights reserved.

Molecular details of dimerization kinetics reveal negligible populations of transient µ-opioid receptor homodimers at physiological concentrations.

PubMed

Meral, Derya; Provasi, Davide; Prada-Gracia, Diego; Möller, Jan; Marino, Kristen; Lohse, Martin J; Filizola, Marta

2018-05-16

Various experimental and computational techniques have been employed over the past decade to provide structural and thermodynamic insights into G Protein-Coupled Receptor (GPCR) dimerization. Here, we use multiple microsecond-long, coarse-grained, biased and unbiased molecular dynamics simulations (a total of ~4 milliseconds) combined with multi-ensemble Markov state models to elucidate the kinetics of homodimerization of a prototypic GPCR, the µ-opioid receptor (MOR), embedded in a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC)/cholesterol lipid bilayer. Analysis of these computations identifies kinetically distinct macrostates comprising several different short-lived dimeric configurations of either inactive or activated MOR. Calculated kinetic rates and fractions of dimers at different MOR concentrations suggest a negligible population of MOR homodimers at physiological concentrations, which is supported by acceptor photobleaching fluorescence resonance energy transfer (FRET) experiments. This study provides a rigorous, quantitative explanation for some conflicting experimental data on GPCR oligomerization.

Design and Calibration of a Flush Air Data System (FADS) for Prediction of the Atmospheric Properties During Re-Entry

DTIC Science & Technology

2013-01-01

was obtained by solving Vibrational-Translational Energy Transfer and energy conservation equations for the Longshot nozzle geometry. Compared to the...temperature 1-D solver A gas in the process of being slowed down is heated due to the kinetic energy of flow. The amount of the heating depends on...release; distribution is unlimited. 8 ( ) ( ) Where the total energy E equals the internal energy plus a kinetic

General, Unified, Multiscale Modeling to Predict the Sensitivity of Energetic Materials

DTIC Science & Technology

2011-10-05

Time dependence of molecular carbon cluster size in solid methane shocked with a piston velocity up =11 km /s. The initial temperature and density were...Galilean in- variant in configuration space, but the kinetic energy of the system depends on the scalar product of the total momentum with U. To... dependent superheating of the x-component shock direction of kinetic energy . This 224513-4 Dawes et al. J. Chem. Phys. 131, 224513 2009 Author

Effects of grass hay proportion in a corn silage-based diet on rumen digesta kinetics and digestibility in dairy cows.

PubMed

Win, Kyaw San; Ueda, Koichiro; Kondo, Seiji

2015-09-01

In this study, we aimed to evaluate the effects of six levels of orchardgrass hay (GH) proportion (0%, 10%, 20%, 30%, 40% or 50% of dry matter) in finely chopped corn silage (CS)-based diets on digesta kinetics of CS and GH in the rumen. Six non-lactating, rumen-cannulated Holstein cows were used in a 6 × 6 Latin square design. Ruminal digesta kinetics was measured by ruminal dosing of feed particle markers (dysprosium for CS, erbium for GH) followed by fecal sampling. The increase of GH proportion had a quadratic effect (P < 0.01) on total tract digestibility of neutral detergent fiber (NDF) and acid detergent fiber. The proportion of GH did not affect the particle size distribution of rumen digesta, total weight of dry matter or NDF in the rumen. The rates of large particle size reduction in the rumen for CS tended to increase linearly with increasing GH proportion (P = 0.077). A quadratic effect (P < 0.05) was found with increasing the GH proportion for the ruminal passage rate of small GH particles, but not for CS particles. The results suggested that associative effects between CS and GH could be generated on rumen digesta kinetics when cows were fed a CS-based diet with an increased proportion of GH. © 2015 Japanese Society of Animal Science.

Spin force and torque in non-relativistic Dirac oscillator on a sphere

NASA Astrophysics Data System (ADS)

Shikakhwa, M. S.

2018-03-01

The spin force operator on a non-relativistic Dirac oscillator (in the non-relativistic limit the Dirac oscillator is a spin one-half 3D harmonic oscillator with strong spin-orbit interaction) is derived using the Heisenberg equations of motion and is seen to be formally similar to the force by the electromagnetic field on a moving charged particle. When confined to a sphere of radius R, it is shown that the Hamiltonian of this non-relativistic oscillator can be expressed as a mere kinetic energy operator with an anomalous part. As a result, the power by the spin force and torque operators in this case are seen to vanish. The spin force operator on the sphere is calculated explicitly and its torque is shown to be equal to the rate of change of the kinetic orbital angular momentum operator, again with an anomalous part. This, along with the conservation of the total angular momentum, suggests that the spin force exerts a spin-dependent torque on the kinetic orbital angular momentum operator in order to conserve total angular momentum. The presence of an anomalous spin part in the kinetic orbital angular momentum operator gives rise to an oscillatory behavior similar to the Zitterbewegung. It is suggested that the underlying physics that gives rise to the spin force and the Zitterbewegung is one and the same in NRDO and in systems that manifest spin Hall effect.

The Synergy Between Total Scattering and Advanced Simulation Techniques: Quantifying Geopolymer Gel Evolution

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

White, Claire; Bloomer, Breaunnah E.; Provis, John L.

2012-05-16

With the ever increasing demands for technologically advanced structural materials, together with emerging environmental consciousness due to climate change, geopolymer cement is fast becoming a viable alternative to traditional cements due to proven mechanical engineering characteristics and the reduction in CO2 emitted (approximately 80% less CO2 emitted compared to ordinary Portland cement). Nevertheless, much remains unknown regarding the kinetics of the molecular changes responsible for nanostructural evolution during the geopolymerization process. Here, in-situ total scattering measurements in the form of X-ray pair distribution function (PDF) analysis are used to quantify the extent of reaction of metakaolin/slag alkali-activated geopolymer binders, includingmore » the effects of various activators (alkali hydroxide/silicate) on the kinetics of the geopolymerization reaction. Restricting quantification of the kinetics to the initial ten hours of reaction does not enable elucidation of the true extent of the reaction, but using X-ray PDF data obtained after 128 days of reaction enables more accurate determination of the initial extent of reaction. The synergies between the in-situ X-ray PDF data and simulations conducted by multiscale density functional theory-based coarse-grained Monte Carlo analysis are outlined, particularly with regard to the potential for the X-ray data to provide a time scale for kinetic analysis of the extent of reaction obtained from the multiscale simulation methodology.« less

Plasma L-5-oxoproline kinetics and whole blood glutathione synthesis rates in severely burned adult humans.

PubMed

Yu, Yong-Ming; Ryan, Colleen M; Fei, Zhe-Wei; Lu, Xiao-Ming; Castillo, Leticia; Schultz, John T; Tompkins, Ronald G; Young, Vernon R

2002-02-01

Compromised glutathione homeostasis is associated with increased morbidity in various disease states. We evaluated the kinetics of L-5-oxoproline, an intermediate in the gamma-glutamyl cycle of glutathione production, in fourteen severely burned adults by use of a primed, constant intravenous infusion of L-5-[1-(13)C]oxoproline. In nine of these patients, whole blood glutathione synthesis and plasma kinetics of glycine and leucine were also measured with [(15)N]glycine and L-[(2)H(3)]leucine tracers. Patients were studied under a "basal" condition that provided a low dose of glucose and total parenteral nutrition. For comparison with control subjects, whole blood glutathione synthesis was estimated in six healthy adults. Burn patients in a basal condition showed significantly higher rates of plasma oxoproline clearance and urinary D- and L-oxoproline excretion compared with fasting healthy control subjects. Whole blood glutathione concentration and absolute synthesis rate in the basal state were lower than for control subjects. Total parenteral feeding without cysteine but with generous methionine did not affect oxoproline kinetics or whole blood glutathione synthesis. The estimated rate of glycine de novo synthesis was also lower in burn patients, suggesting a possible change in glycine availability for glutathione synthesis. The roles of precursor amino acid availability, as well as alterations in metabolic capacity, in modulating whole blood glutathione production in burns now require investigation.

Tight coupling of Na+/K+-ATPase with glycolysis demonstrated in permeabilized rat cardiomyocytes.

PubMed

Sepp, Mervi; Sokolova, Niina; Jugai, Svetlana; Mandel, Merle; Peterson, Pearu; Vendelin, Marko

2014-01-01

The effective integrated organization of processes in cardiac cells is achieved, in part, by the functional compartmentation of energy transfer processes. Earlier, using permeabilized cardiomyocytes, we demonstrated the existence of tight coupling between some of cardiomyocyte ATPases and glycolysis in rat. In this work, we studied contribution of two membrane ATPases and whether they are coupled to glycolysis--sarcoplasmic reticulum Ca2+ ATPase (SERCA) and plasmalemma Na+/K+-ATPase (NKA). While SERCA activity was minor in this preparation in the absence of calcium, major role of NKA was revealed accounting to ∼30% of the total ATPase activity which demonstrates that permeabilized cell preparation can be used to study this pump. To elucidate the contribution of NKA in the pool of ATPases, a series of kinetic measurements was performed in cells where NKA had been inhibited by 2 mM ouabain. In these cells, we recorded: ADP- and ATP-kinetics of respiration, competition for ADP between mitochondria and pyruvate kinase (PK), ADP-kinetics of endogenous PK, and ATP-kinetics of total ATPases. The experimental data was analyzed using a series of mathematical models with varying compartmentation levels. The results show that NKA is tightly coupled to glycolysis with undetectable flux of ATP between mitochondria and NKA. Such tight coupling of NKA to PK is in line with its increased importance in the pathological states of the heart when the substrate preference shifts to glucose.

Link between von-Karman energy decay and reconnection heating in turbulent plasmas

NASA Astrophysics Data System (ADS)

Shay, M. A.; Parashar, T.; Haggerty, C. C.; Matthaeus, W. H.; Phan, T.; Drake, J. F.; Cassak, P.; Wu, P.

2016-12-01

Coherent structures such as current sheets are prevalent in many turbulent plasmas and have been shown to be correlated with dissipation and heating in observations of solar wind turbulence and dissipation in kinetic particle-in-cell (PIC) simulations. However, the role that they play in the dissipation of turbulent energy and ultimately the heating of the plasma are still not well understood. A recent study [1] using kinetic PIC simulations of turbulence found that the total heating in the plasma is consistent with a von-Karman scaling of the cascade rate, and that the proton to electron heating ratio was proportional to the total heating rate and linked to the ratio of gyroperiod to nonlinear turnover time at the ion kinetic scales. We review recent findings regarding the rate of heating in outflow jets during laminar reconnection and apply it to kinetic PIC simulations of turbulence, employing some reasonable assumptions to connect the two theories. The goal is to determine if reconnection is a primary heating mechanism or plays less of a role. Conversely, we also apply the new understanding of the von-Karman cascade to isolated reconnection events to determine if a cascade-like process is controlling the heating rate. [1] W. Matthaeus et al., ApJ Letters, 827, L7, 2016, doi:10.3847/2041-8205/827/1/L7

Mechanical work and energy consumption in children with cerebral palsy after single-event multilevel surgery.

PubMed

Marconi, Valeria; Hachez, Hélèn; Renders, Anne; Docquier, Pierre-Louis; Detrembleur, Chrisitine

2014-09-01

Multilevel surgery is commonly performed to improve walking in children with cerebral palsy (CP). Classical gait analysis (kinetics, kinematics) demonstrated positive outcomes after this intervention, however it doesn't give global indication about gait's features. The assessment of energy cost and mechanical work of locomotion can provide an overall description of walking functionality. Therefore, we propose to describe the effects of multilevel surgery in children with CP, considering energetics, mechanical work, kinetic and kinematic of walking. We measured external, internal, total work, energy cost, recovery, efficiency, kinetic and kinematic of walking in 10 children with CP (4 girls, 6 boys; 13 years ± 2) before and 1 year after multilevel surgery. Kinetic and kinematic results are partially comparable to previous findings, energy cost of walking is significantly reduced (p < 0.05); external, internal, total work, recovery, efficiency are not significantly different (p = 0.129; p = 0.147; p = 0.795; p = 0.119; p = 0.21). The improvement of the walking's energy consumption is not accompanied by a corresponding improvement of mechanical work. Therefore it is conceivable that the improvement of walking economy depend on a reduced effort of the muscle to maintain the posture, rather then to an improvement of the mechanism of energy recovery typical of human locomotion. Copyright © 2014 Elsevier B.V. All rights reserved.

On the use of hydroxyl radical kinetics to assess the number-average molecular weight of dissolved organic matter.

PubMed

Appiani, Elena; Page, Sarah E; McNeill, Kristopher

2014-10-21

Dissolved organic matter (DOM) is involved in numerous environmental processes, and its molecular size is important in many of these processes, such as DOM bioavailability, DOM sorptive capacity, and the formation of disinfection byproducts during water treatment. The size and size distribution of the molecules composing DOM remains an open question. In this contribution, an indirect method to assess the average size of DOM is described, which is based on the reaction of hydroxyl radical (HO(•)) quenching by DOM. HO(•) is often assumed to be relatively unselective, reacting with nearly all organic molecules with similar rate constants. Literature values for HO(•) reaction with organic molecules were surveyed to assess the unselectivity of DOM and to determine a representative quenching rate constant (k(rep) = 5.6 × 10(9) M(-1) s(-1)). This value was used to assess the average molecular weight of various humic and fulvic acid isolates as model DOM, using literature HO(•) quenching constants, kC,DOM. The results obtained by this method were compared with previous estimates of average molecular weight. The average molecular weight (Mn) values obtained with this approach are lower than the Mn measured by other techniques such as size exclusion chromatography (SEC), vapor pressure osmometry (VPO), and flow field fractionation (FFF). This suggests that DOM is an especially good quencher for HO(•), reacting at rates close to the diffusion-control limit. It was further observed that humic acids generally react faster than fulvic acids. The high reactivity of humic acids toward HO(•) is in line with the antioxidant properties of DOM. The benefit of this method is that it provides a firm upper bound on the average molecular weight of DOM, based on the kinetic limits of the HO(•) reaction. The results indicate low average molecular weight values, which is most consistent with the recent understanding of DOM. A possible DOM size distribution is discussed to reconcile the small nature of DOM with the large-molecule behavior observed in other studies.

Pressure and temperature effects on degradation kinetics and storage stability of total anthocyanins in blueberry juice.

PubMed

Buckow, Roman; Kastell, Anja; Terefe, Netsanet Shiferaw; Versteeg, Cornelis

2010-09-22

The degradation kinetics of total anthocyanins in blueberry (Vaccinium myrtillus) juice were studied during thermal processing by treatment at selected temperatures (60-121 °C) and combined high pressure-temperature processing (100-700 MPa, 40-121 °C). Anthocyanin stability was also studied for several of these treatments during storage at 4, 25, and 40 °C. Both pressure and temperature increased d, the degradation rate of total anthocyanins in blueberry juice, meaning that at constant temperature, anthocyanins were more rapidly degraded with increasing pressure. For example, 32% degradation of anthocyanins was observed after 20 min heating at 100 °C and atmospheric pressure, whereas at 100 °C and 600 MPa, approximately 50% of total anthocyanins were lost. Degradation of anthocyanins was significantly accelerated with increasing storage temperatures. Combined pressure-temperature treatment of pasteurized juice led to a slightly faster degradation of total anthocyanins during storage compared to heat treatments at ambient pressure. Degradation of anthocyanins was best described by a 1.4th-order reaction at all conditions investigated. A mathematical model describing the degradation of blueberry anthocyanins in juice as a function of pressure, temperature, and treatment time is presented.

Improved characterization of combat injury.

PubMed

Champion, Howard R; Holcomb, John B; Lawnick, Mary M; Kelliher, Timothy; Spott, Mary Ann; Galarneau, Michael R; Jenkins, Donald H; West, Susan A; Dye, Judy; Wade, Charles E; Eastridge, Brian J; Blackbourne, Lorne H; Shair, Ellen Kalin

2010-05-01

Combat injury patterns differ from civilian trauma in that the former are largely explosion-related, comprising multiple mechanistic and fragment injuries and high-kinetic-energy bullets. Further, unlike civilians, U.S. armed forces combatants are usually heavily protected with helmets and Kevlar body armor with ceramic plate inserts. Searchable databases providing actionable, statistically valid knowledge of body surface entry wounds and resulting organ injury severity are essential to understanding combat trauma. Two tools were developed to address these unique aspects of combat injury: (1) the Surface Wound Mapping (SWM) database and Surface Wound Analysis Tool (SWAT) software that were developed to generate 3D density maps of point-of-surface wound entry and resultant anatomic injury severity; and (2) the Abbreviated Injury Scale (AIS) 2005-Military that was developed by a panel of military trauma surgeons to account for multiple injury etiology from explosions and other high-kinetic- energy weapons. Combined data from the Joint Theater Trauma Registry, Navy/Marine Combat Trauma Registry, and the Armed Forces Medical Examiner System Mortality Trauma Registry were coded in AIS 2005-Military, entered into the SWM database, and analyzed for entrance site and wounding path. When data on 1,151 patients, who had a total of 3,500 surface wounds and 12,889 injuries, were entered into SWM, surface wounds averaged 3.0 per casualty and injuries averaged 11.2 per casualty. Of the 3,500 surface wounds, 2,496 (71%) were entrance wounds with 6,631 (51%) associated internal injuries, with 2.2 entrance wounds and 5.8 associated injuries per casualty (some details cannot be given because of operational security). Crude deaths rates were calculated using Maximum AIS-Military. These new tools have been successfully implemented to describe combat injury, mortality, and distribution of wounds and associated injuries. AIS 2005-Military is a more precise assignment of severity to military injuries. SWM has brought data from all three combat registries together into one analyzable database. SWM and SWAT allow visualization of wounds and associated injuries by region on a 3D model of the body.

Mean field treatment of heterogeneous steady state kinetics

NASA Astrophysics Data System (ADS)

Geva, Nadav; Vaissier, Valerie; Shepherd, James; Van Voorhis, Troy

2017-10-01

We propose a method to quickly compute steady state populations of species undergoing a set of chemical reactions whose rate constants are heterogeneous. Using an average environment in place of an explicit nearest neighbor configuration, we obtain a set of equations describing a single fluctuating active site in the presence of an averaged bath. We apply this Mean Field Steady State (MFSS) method to a model of H2 production on a disordered surface for which the activation energy for the reaction varies from site to site. The MFSS populations quantitatively reproduce the KMC results across the range of rate parameters considered.

On the stiffness matrix of the intervertebral joint: application to total disk replacement.

PubMed

O'Reilly, Oliver M; Metzger, Melodie F; Buckley, Jenni M; Moody, David A; Lotz, Jeffrey C

2009-08-01

The traditional method of establishing the stiffness matrix associated with an intervertebral joint is valid only for infinitesimal rotations, whereas the rotations featured in spinal motion are often finite. In the present paper, a new formulation of this stiffness matrix is presented, which is valid for finite rotations. This formulation uses Euler angles to parametrize the rotation, an associated basis, which is known as the dual Euler basis, to describe the moments, and it enables a characterization of the nonconservative nature of the joint caused by energy loss in the poroviscoelastic disk and ligamentous support structure. As an application of the formulation, the stiffness matrix of a motion segment is experimentally determined for the case of an intact intervertebral disk and compared with the matrices associated with the same segment after the insertion of a total disk replacement system. In this manner, the matrix is used to quantify the changes in the intervertebral kinetics associated with total disk replacements. As a result, this paper presents the first such characterization of the kinetics of a total disk replacement.

Modeling photo-bleaching kinetics to map local variations in rod rhodopsin density

NASA Astrophysics Data System (ADS)

Ehler, M.; Dobrosotskaya, J.; King, E. J.; Czaja, W.; Bonner, R. F.

2011-03-01

Localized rod photoreceptor and rhodopsin losses have been observed in post mortem histology both in normal aging and in age-related maculopathy. We propose to noninvasively map local rod rhodopsin density through analysis of the brightening of the underlying lipofuscin autofluorescence (LAF) in confocal scanning laser ophthalmoscopy (cSLO) imaging sequences starting in the dark adapted eye. The detected LAF increases as rhodopsin is bleached (time constant ~ 25sec) by the average retinal irradiance of the cSLO 488nm laser beam. We fit parameters of analytical expressions for the kinetics of rhodopsin bleaching that Lamb validated using electroretinogram recordings in human. By performing localized (~ 100μm) kinetic analysis, we create high resolution maps of the rhodopsin density. This new noninvasive imaging and analysis approach appears well-suited for measuring localized changes in the rod photoreceptors and correlating them at high spatial resolution with localized pathological changes of the retinal pigment epithelium (RPE) seen in steady-state LAF images.

A numerical study of bidisperse particles in cluster-induced turbulence

NASA Astrophysics Data System (ADS)

Patel, Ravi; Kong, Bo; Capecelatro, Jesse; Fox, Rodney; Desjardins, Olivier

2016-11-01

Particle-laden turbulent flow is an important feature of many diverse environmental and industrial systems. To elucidate the mechanics of these types of flows, we study cluster-induced turbulence (CIT), wherein momentum coupling between a carrier fluid and setting particles leads to turbulent-like fluctuations in various quantities of interest. In this work, simulations of CIT with bidisperse particles are presented. The flow of kinetic energy is tracked from its generation due to drag until its dissipation due to fluid viscosity and particle collisions. As suggested by Fox (2014), the particle kinetic energy is separated into a correlated turbulent kinetic energy and an uncorrelated granular energy. An overall energy balance is computed for various exchange terms to determine their relative importance and to understand the underlying physical mechanisms in bidisperse CIT. Additionally, volume fraction and velocity statistics for both particle types and the fluid are presented. From these results, the consequences on closures for Reynolds-averaged stress models of particle-laden flows are discussed. National Science Foundation.

Dissipation kinetics and safety evaluation of tebuconazole and trifloxystrobin in tea under tropical field conditions.

PubMed

Paramasivam, Mariappan; Deepa, Manthirachalam; Selvi, Chellamuthu; Chandrasekaran, Subramanian

2017-12-01

Dissipation kinetics of tebuconazole, trifloxystrobin and its acid metabolite residues were studied in tea under tropical field conditions using GC-MS (SIM). The average recoveries ranged from 80.7% to 105.8%, with a RSD of <9.3%. Dissipation rate for both doses applied followed first-order kinetics, with half-lives in green leaves in the range of 2.8-3.3 and 2.9-3.3 days; ranges in processed tea were 2.7-3.6 days for trifloxystrobin and 3.0-3.1 days for tebuconazole. The trifloxystrobin residues were not transferred into the tea infusion during the infusion process; tebuconazole did transfer, in the range of 14.3-18.9%. As the theoretical maximum residue contributions on tea from initial deposits were found to be less than the maximum permissible intake values, at the recommended application dose a withdrawal period of 23 days before consumption should be applied to reduce risk.

Computational modelling of mesoscale dislocation patterning and plastic deformation of single crystals

NASA Astrophysics Data System (ADS)

Xia, Shengxu; El-Azab, Anter

2015-07-01

We present a continuum dislocation dynamics model that predicts the formation of dislocation cell structure in single crystals at low strains. The model features a set of kinetic equations of the curl type that govern the space and time evolution of the dislocation density in the crystal. These kinetic equations are coupled to stress equilibrium and deformation kinematics using the eigenstrain approach. A custom finite element method has been developed to solve the coupled system of equations of dislocation kinetics and crystal mechanics. The results show that, in general, dislocations self-organize in patterns under their mutual interactions. However, the famous dislocation cell structure has been found to form only when cross slip is implemented in the model. Cross slip is also found to lower the yield point, increase the hardening rate, and sustain an increase in the dislocation density over the hardening regime. Analysis of the cell structure evolution reveals that the average cell size decreases with the applied stress, which is consistent with the similitude principle.

Experiment of Enzyme Kinetics Using Guided Inquiry Model for Enhancing Generic Science Skills

NASA Astrophysics Data System (ADS)

Amida, N.; Supriyanti, F. M. T.; Liliasari

2017-02-01

This study aims to enhance generic science skills of students using guided inquiry model through experiments of enzyme kinetics. This study used quasi-experimental methods, with pretest-posttestnonequivalent control group design. Subjects of this study were chemistry students enrolled in biochemistry lab course, consisted of 18 students in experimental class and 19 students in control class. Instrument in this study were essay test that involves 5 indicators of generic science skills (i.e. direct observation, causality, symbolic language, mathematical modeling, and concepts formation) and also student worksheets. The results showed that the experiments of kinetics enzyme using guided inquiry model have been enhance generic science skills in high category with a value of average of 0.77. Four indicators classified in the high category are direct observation, causality, symbolic language, and mathematical modeling with the value of 0,73 0,70; 0,96; dan 0,85. Meanwhile, indicator of concepts formation in the medium category with a value of 0.62

Growth and laccase production kinetics of Trametes versicolor in a stirred tank reactor.

PubMed

Thiruchelvam, A T; Ramsay, Juliana A

2007-03-01

White rot fungi are a promising option to treat recalcitrant organic molecules, such as lignin, polycyclic aromatic hydrocarbons, and textile dyes, because of the lignin-modifying enzymes (LMEs) they secrete. Because knowledge of the kinetic parameters is important to better design and operate bioreactors to cultivate these fungi for degradation and/or to produce LME(s), these parameters were determined using Trametes versicolor ATCC 20869 (ATCC, American Type Culture Collection) in a magnetic stir bar reactor. A complete set of kinetic data has not been previously published for this culture. Higher than previously reported growth rates with high laccase production of up to 1,385 U l(-1) occurred during growth without [Formula: see text] or glucose limitation. The maximum specific growth rate averaged 0.94 +/- 0.23 day(-1), whereas the maximum specific substrate consumption rates for glucose and ammonium were 3.37 +/- 1.16 and 0.15 +/- 0.04 day(-1), respectively. The maximum specific oxygen consumption rate was 1.63 +/- 0.36 day(-1).

Combustion and kinetic parameters estimation of torrefied pine, acacia and Miscanthus giganteus using experimental and modelling techniques.

PubMed

Wilk, Małgorzata; Magdziarz, Aneta; Gajek, Marcin; Zajemska, Monika; Jayaraman, Kandasamy; Gokalp, Iskender

2017-11-01

A novel approach, linking both experiments and modelling, was applied to obtain a better understanding of combustion characteristics of torrefied biomass. Therefore, Pine, Acacia and Miscanthus giganteus have been investigated under 260°C, 1h residence time and argon atmosphere. A higher heating value and carbon content corresponding to a higher fixed carbon, lower volatile matter, moisture content, and ratio O/C were obtained for all torrefied biomass. TGA analysis was used in order to proceed with the kinetics study and Chemkin calculations. The kinetics analysis demonstrated that the torrefaction process led to a decrease in Ea compared to raw biomass. The average Ea of pine using the KAS method changed from 169.42 to 122.88kJ/mol. The changes in gaseous products of combustion were calculated by Chemkin, which corresponded with the TGA results. The general conclusion based on these investigations is that torrefaction improves the physical and chemical properties of biomass. Copyright © 2017 Elsevier Ltd. All rights reserved.

Modeling of Alkane Oxidation Using Constituents and Species

NASA Technical Reports Server (NTRS)

Bellan, Jasette; Harstad, Kenneth G.

2010-01-01

It is currently not possible to perform simulations of turbulent reactive flows due in particular to complex chemistry, which may contain thousands of reactions and hundreds of species. This complex chemistry results in additional differential equations, making the numerical solution of the equation set computationally prohibitive. Reducing the chemical kinetics mathematical description is one of several important goals in turbulent reactive flow modeling. A chemical kinetics reduction model is proposed for alkane oxidation in air that is based on a parallel methodology to that used in turbulence modeling in the context of the Large Eddy Simulation. The objective of kinetic modeling is to predict the heat release and temperature evolution. This kinetic mechanism is valid over a pressure range from atmospheric to 60 bar, temperatures from 600 K to 2,500 K, and equivalence ratios from 0.125 to 8. This range encompasses diesel, HCCI, and gas-turbine engines, including cold ignition. A computationally efficient kinetic reduction has been proposed for alkanes that has been illustrated for n-heptane using the LLNL heptane mechanism. This model is consistent with turbulence modeling in that scales were first categorized into either those modeled or those computed as progress variables. Species were identified as being either light or heavy. The heavy species were decomposed into defined 13 constituents, and their total molar density was shown to evolve in a quasi-steady manner. The light species behave either in a quasi-steady or unsteady manner. The modeled scales are the total constituent molar density, Nc, and the molar density of the quasi-steady light species. The progress variables are the total constituent molar density rate evolution and the molar densities of the unsteady light species. The unsteady equations for the light species contain contributions of the type gain/loss rates from the heavy species that are modeled consistent with the developed mathematical forms for the total constituent molar density rate evolution; indeed, examination of these gain/loss rates shows that they also have a good quasi-steady behavior with a functional form resembling that of the constituent rate. This finding highlights the fact that the fitting technique provides a methodology that can be repeatedly used to obtain an accurate representation of full or skeletal kinetic models. Assuming success with the modified reduced model, the advantage of the modeling approach is clear. Because this model is based on the Nc rate rather than on that of individual heavy species, even if the number of species increases with increased carbon number in the alkane group, providing that the quasi-steady rate aspect persists, then extension of this model to higher alkanes should be conceptually straightforward, although it remains to be seen if the functional fits would remain valid or would require reconstruction.

Effect of Optical Defocus on the Kinetic Perimetry in Young Myopic Participants.

PubMed

Hirasawa, Kazunori; Shoji, Nobuyuki

2015-01-01

The prospective study evaluated the effects of optical defocus on kinetic sensitivity using automated kinetic perimetry. The 17 eyes of 17 healthy young participants were evaluated. All of the participants had myopia (≥ -5.00 D) and mild to no astigmatism (<1.00 D). Automated kinetic perimetry was performed using the Octopus 900 perimeter with Goldmann stimuli III4e, I4e, I3e, I2e, and I1e, with stimuli presented at 14 predetermined meridians, and a velocity of 3°/s. Optical defocus was induced with soft contact lenses, and varied in 1 D increments between 0 and +7 D. Kinetic sensitivity at each defocus was evaluated and compared to sensitivity with no defocus. Although kinetic sensitivity with the III4e and I4e stimuli decreased slightly at the inferior nasal, total kinetic sensitivity measured with the III4e and I4e stimuli was unaffected by optical defocus. Conversely, kinetic sensitivity measured with the I3e, I2e, and I1e stimuli decreased at defocus greater than +6 D (p < 0.05), + 3 D (p < 0.01), and at a defocus greater than +1 D (p < 0.01), respectively. Kinetic sensitivity was unaffected by defocus when measured with III4e and I4e stimuli. However, measurements with I3e, I2e, and I1e stimuli were affected, in particular measurements with I2e and I1e stimuli. Therefore, we conclude that optimal refractive correction with a contact lens or a spectacle lens is required in order to obtain accurate kinetic perimetry results, particularly for lower intensity stimuli.

Modeling of Tracer Transport Delays for Improved Quantification of Regional Pulmonary ¹⁸F-FDG Kinetics, Vascular Transit Times, and Perfusion.

PubMed

Wellman, Tyler J; Winkler, Tilo; Vidal Melo, Marcos F

2015-11-01

¹⁸F-FDG-PET is increasingly used to assess pulmonary inflammatory cell activity. However, current models of pulmonary ¹⁸F-FDG kinetics do not account for delays in ¹⁸F-FDG transport between the plasma sampling site and the lungs. We developed a three-compartment model of ¹⁸F-FDG kinetics that includes a delay between the right heart and the local capillary blood pool, and used this model to estimate regional pulmonary perfusion. We acquired dynamic ¹⁸F-FDG scans in 12 mechanically ventilated sheep divided into control and lung injury groups (n = 6 each). The model was fit to tracer kinetics in three isogravitational regions-of-interest to estimate regional lung transport delays and regional perfusion. ¹³NN bolus infusion scans were acquired during a period of apnea to measure regional perfusion using an established reference method. The delayed input function model improved description of ¹⁸F-FDG kinetics (lower Akaike Information Criterion) in 98% of studied regions. Local transport delays ranged from 2.0 to 13.6 s, averaging 6.4 ± 2.9 s, and were highest in non-dependent regions. Estimates of regional perfusion derived from model parameters were highly correlated with perfusion measurements based on ¹³NN-PET (R² = 0.92, p < 0.001). By incorporating local vascular transports delays, this model of pulmonary ¹⁸F-FDG kinetics allows for simultaneous assessment of regional lung perfusion, transit times, and inflammation.

Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements

PubMed Central

Zhou, Rui; Maisuradze, Gia G.; Suñol, David; Todorovski, Toni; Macias, Maria J.; Xiao, Yi; Scheraga, Harold A.; Czaplewski, Cezary; Liwo, Adam

2014-01-01

To demonstrate the utility of the coarse-grained united-residue (UNRES) force field to compare experimental and computed kinetic data for folding proteins, we have performed long-time millisecond-timescale canonical Langevin molecular dynamics simulations of the triple β-strand from the Formin binding protein 28 WW domain and six nonnatural variants, using UNRES. The results have been compared with available experimental data in both a qualitative and a quantitative manner. Complexities of the folding pathways, which cannot be determined experimentally, were revealed. The folding mechanisms obtained from the simulated folding kinetics are in agreement with experimental results, with a few discrepancies for which we have accounted. The origins of single- and double-exponential kinetics and their correlations with two- and three-state folding scenarios are shown to be related to the relative barrier heights between the various states. The rate constants obtained from time profiles of the fractions of the native, intermediate, and unfolded structures, and the kinetic equations fitted to them, correlate with the experimental values; however, they are about three orders of magnitude larger than the experimental ones for most of the systems. These differences are in agreement with the timescale extension derived by scaling down the friction of water and averaging out the fast degrees of freedom when passing from all-atom to a coarse-grained representation. Our results indicate that the UNRES force field can provide accurate predictions of folding kinetics of these WW domains, often used as models for the study of the mechanisms of proein folding. PMID:25489078

Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.

PubMed

Zhou, Rui; Maisuradze, Gia G; Suñol, David; Todorovski, Toni; Macias, Maria J; Xiao, Yi; Scheraga, Harold A; Czaplewski, Cezary; Liwo, Adam

2014-12-23

To demonstrate the utility of the coarse-grained united-residue (UNRES) force field to compare experimental and computed kinetic data for folding proteins, we have performed long-time millisecond-timescale canonical Langevin molecular dynamics simulations of the triple β-strand from the Formin binding protein 28 WW domain and six nonnatural variants, using UNRES. The results have been compared with available experimental data in both a qualitative and a quantitative manner. Complexities of the folding pathways, which cannot be determined experimentally, were revealed. The folding mechanisms obtained from the simulated folding kinetics are in agreement with experimental results, with a few discrepancies for which we have accounted. The origins of single- and double-exponential kinetics and their correlations with two- and three-state folding scenarios are shown to be related to the relative barrier heights between the various states. The rate constants obtained from time profiles of the fractions of the native, intermediate, and unfolded structures, and the kinetic equations fitted to them, correlate with the experimental values; however, they are about three orders of magnitude larger than the experimental ones for most of the systems. These differences are in agreement with the timescale extension derived by scaling down the friction of water and averaging out the fast degrees of freedom when passing from all-atom to a coarse-grained representation. Our results indicate that the UNRES force field can provide accurate predictions of folding kinetics of these WW domains, often used as models for the study of the mechanisms of proein folding.

Global fully kinetic models of planetary magnetospheres with iPic3D

NASA Astrophysics Data System (ADS)

Gonzalez, D.; Sanna, L.; Amaya, J.; Zitz, A.; Lembege, B.; Markidis, S.; Schriver, D.; Walker, R. J.; Berchem, J.; Peng, I. B.; Travnicek, P. M.; Lapenta, G.

2016-12-01

We report on the latest developments of our approach to model planetary magnetospheres, mini magnetospheres and the Earth's magnetosphere with the fully kinetic, electromagnetic particle in cell code iPic3D. The code treats electrons and multiple species of ions as full kinetic particles. We review: 1) Why a fully kinetic model and in particular why kinetic electrons are needed for capturing some of the most important aspects of the physics processes of planetary magnetospheres. 2) Why the energy conserving implicit method (ECIM) in its newest implementation [1] is the right approach to reach this goal. We consider the different electron scales and study how the new IECIM can be tuned to resolve only the electron scales of interest while averaging over the unresolved scales preserving their contribution to the evolution. 3) How with modern computing planetary magnetospheres, mini magnetosphere and eventually Earth's magnetosphere can be modeled with fully kinetic electrons. The path from petascale to exascale for iPiC3D is outlined based on the DEEP-ER project [2], using dynamic allocation of different processor architectures (Xeon and Xeon Phi) and innovative I/O technologies.Specifically results from models of Mercury are presented and compared with MESSENGER observations and with previous hybrid (fluid electrons and kinetic ions) simulations. The plasma convection around the planets includes the development of hydrodynamic instabilities at the flanks, the presence of the collisionless shocks, the magnetosheath, the magnetopause, reconnection zones, the formation of the plasma sheet and the magnetotail, and the variation of ion/electron plasma flows when crossing these frontiers. Given the full kinetic nature of our approach we focus on detailed particle dynamics and distribution at locations that can be used for comparison with satellite data. [1] Lapenta, G. (2016). Exactly Energy Conserving Implicit Moment Particle in Cell Formulation. arXiv preprint arXiv:1602.06326.[2] www.deep-er.eu

Aerobic Fitness Level Typical of Elite Athletes is not Associated With Even Faster VO2 Kinetics During Cycling Exercise

PubMed Central

Figueira, Tiago R.; Caputo, Fabrizio; Machado, Carlos E.P.; Denadai, Benedito S.

2008-01-01

The aim of this study was to address the question if the VO2 kinetics is further improved as the aerobic training status increases from trained to elite level athletes. Maximal oxygen uptake (VO2max), work-rate associated to VO2max (IVO2max) and VO2 kinetics of moderate (Mod) and maximal exercise (Max) were determined in fifty- five subjects. Then, they were assigned into three groups: low (LF), intermediate (IF) and high (HF) aerobic fitness level. In average, the VO2max of LF, IF and HF groups were, respectively, 36.0 ± 3.1, 51.1 ± 4.5 and 68.1 ± 3.9 ml·kg·min-1 (p ≤ 0.05 among each other). VO2 kinetics mean response time of both exercise intensities were significantly faster (p ≤ 0.05) in HF (Mod, 27.5 ± 5.5 s; Max, 32.6 ± 8.3 s) and IF (Mod, 25.0 ± 3.1 s; Max, 42.6 ± 10.4 s) when compared to LF (Mod, 35.7 ± 7.9 s; Max: 57.8 ± 17.8 s). We can conclude that VO2 kinetics is improved as the fitness level is increased from low to intermediate but not further improved as the aerobic fitness level increases from intermediate to high. Key points Currently, it is reasonable to believe that the rate-limiting step of VO2 kinetics depends on exercise intensity. The well known physiological adaptations induced by endurance training are likely the most extreme means to overcome rate-limiting steps determining VO2 kinetics across exercise intensities. However, exercise adaptation leading individuals to the high-end of aerobic fitness level range (VO2max > 65 ml.kg.min-1) is not able to further improve VO2 kinetics during both, moderate and maximal intensity exercise. PMID:24150145