Science.gov

Sample records for yield kinetic parameters

  1. Microbial maximal specific growth rate as a square-root function of biomass yield and two kinetic parameters.

    PubMed

    Wong, Wilson W; Liao, James C

    2009-11-01

    Understanding how growth rates changes under different perturbations is fundamental to many aspect of microbial physiology. In this work, we experimentally showed that maximal specific growth rate is a square-root function of the biomass yield, the substrate turnover number, and the maximum synthesis rate of the substrate transporter under that condition. We used Escherichia coli cultures in lactose minimal medium as a model system by introducing genetic modifications, in vitro evolution, and ethanol stress to the cell. Deletion of crr affected all three parameters in different directions while deletion of ptsG decreased only the biomass yield. Ethanol stress negatively impacted all three parameters, while anaerobicity decreased biomass yield and transporter synthesis rate. In addition, laboratory evolution increased the growth rate in lactose mostly through enhancing the expression rate of the lac operon. Despite all these changes, the growth rate of the perturbed strain was successfully related to the three parameters by the square-root equation. Thus, this square-root relationship provides insight into how growth rate is altered by different physiological parameters. PMID:19712746

  2. Comments on extracting the resonance strength parameter from yield data

    NASA Astrophysics Data System (ADS)

    Croft, Stephen; Favalli, Andrea

    2015-10-01

    The F(?,n) reaction is the focus of on-going research in part because it is an important source of neutrons in the nuclear fuel cycle which can be exploited to assay nuclear materials, especially uranium in the form of UF6 [1,2]. At the present time there remains some considerable uncertainty (of the order of ±20%) in the thick target integrated over angle (?,n) yield from 19F (100% natural abundance) and its compounds as discussed in [3,4]. An important thin target cross-section measurement is that of Wrean and Kavanagh [5] who explore the region from below threshold (2.36 MeV) to approximately 3.1 MeV with fine energy resolution. Integration of their cross-section data over the slowing down history of a stopping ?-particle allows the thick target yield to be calculated for incident energies up to 3.1 MeV. This trend can then be combined with data from other sources to obtain a thick target yield curve over the wider range of interest to the fuel cycle (roughly threshold to 10 MeV to include all relevant ?-emitters). To estimate the thickness of the CaF2 target they used, Wrean and Kavanagh separately measured the integrated yield of the 6.129 MeV ?-rays from the resonance at 340.5 keV (laboratory ?-particle kinetic energy) in the 19F(p,??) reaction. To interpret the data they adopted a resonance strength parameter of (22.3±0.8) eV based on a determination by Becker et al [6]. The value and its uncertainty directly affects the thickness estimate and the extracted (?,n) cross-section values. In their citation to Becker et al's work, Wrean and Kavanagh comment that they did not make use of an alternative value of (23.7±1.0) eV reported by Croft [7] because they were unable to reproduce the value from the data given in that paper. The value they calculated for the resonance strength from the thick target yield given by Croft was 21.4 eV. The purpose of this communication is to revisit the paper by Croft published in this journal and specifically to explain the origin of the reported resonance strength. Fortunately the original notes spanning the period 12 January 1988 to 16 January 1990 were available to consult. In hindsight there is certainly a case of excessive brevity to rectify. In essence the step requiring explanation is how to compute the resonance strength, ??, from the reported thick target resonance yield Y.

  3. A model of crosslink kinetics in the expanding plant cell wall: yield stress and enzyme action

    PubMed Central

    Dyson, R.J.; Band, L.R.; Jensen, O.E.

    2012-01-01

    The plant primary cell wall is a composite material containing stiff cellulose microfibrils that are embedded within a pectin matrix and crosslinked through a network of hemicellulose polymers. This microstructure endows the wall with nonlinear anisotropic mechanical properties and allows enzymatic regulation of expansive cell growth. We present a mathematical model of hemicellulose crosslink dynamics in an expanding cell wall incorporating strain-enhanced breakage and enzyme-mediated crosslink kinetics. The model predicts the characteristic yielding behaviour in the relationship between stress and strain-rate seen experimentally, and suggests how the effective yield and extensibility of the wall depend on microstructural parameters and on the action of enzymes of the XTH and expansin families. The model suggests that the yielding behaviour encapsulated in the classical Lockhart equation can be explained by the strongly nonlinear dependence of crosslink breakage rate on crosslink elongation. The model also demonstrates how enzymes that target crosslink binding can be effective in softening the wall in its pre-yield state, whereas its post-yield extensibility is determined primarily by the pectin matrix. PMID:22584249

  4. Estimation of beech pyrolysis kinetic parameters by Shuffled Complex Evolution.

    PubMed

    Ding, Yanming; Wang, Changjian; Chaos, Marcos; Chen, Ruiyu; Lu, Shouxiang

    2016-01-01

    The pyrolysis kinetics of a typical biomass energy feedstock, beech, was investigated based on thermogravimetric analysis over a wide heating rate range from 5K/min to 80K/min. A three-component (corresponding to hemicellulose, cellulose and lignin) parallel decomposition reaction scheme was applied to describe the experimental data. The resulting kinetic reaction model was coupled to an evolutionary optimization algorithm (Shuffled Complex Evolution, SCE) to obtain model parameters. To the authors' knowledge, this is the first study in which SCE has been used in the context of thermogravimetry. The kinetic parameters were simultaneously optimized against data for 10, 20 and 60K/min heating rates, providing excellent fits to experimental data. Furthermore, it was shown that the optimized parameters were applicable to heating rates (5 and 80K/min) beyond those used to generate them. Finally, the predicted results based on optimized parameters were contrasted with those based on the literature. PMID:26551654

  5. Determining Kinetic Parameters for Isothermal Crystallization of Glasses

    NASA Technical Reports Server (NTRS)

    Ray, C. S.; Zhang, T.; Reis, S. T.; Brow, R. K.

    2006-01-01

    Non-isothermal crystallization techniques are frequently used to determine the kinetic parameters for crystallization in glasses. These techniques are experimentally simple and quick compared to the isothermal techniques. However, the analytical models used for non-isothermal data analysis, originally developed for describing isothermal transformation kinetics, are fundamentally flawed. The present paper describes a technique for determining the kinetic parameters for isothermal crystallization in glasses, which eliminates most of the common problems that generally make the studies of isothermal crystallization laborious and time consuming. In this technique, the volume fraction of glass that is crystallized as a function of time during an isothermal hold was determined using differential thermal analysis (DTA). The crystallization parameters for the lithium-disilicate (Li2O.2SiO2) model glass were first determined and compared to the same parameters determined by other techniques to establish the accuracy and usefulness of the present technique. This technique was then used to describe the crystallization kinetics of a complex Ca-Sr-Zn-silicate glass developed for sealing solid oxide fuel cells.

  6. LDEF's map experiment foil perforations yield hypervelocity impact penetration parameters

    NASA Technical Reports Server (NTRS)

    Mcdonnell, J. A. M.

    1992-01-01

    The space exposure of LDEF for 5.75 years, forming a host target in low earth orbit (LEO) orbit to a wide distribution of hypervelocity particulates of varying dimensions and different impact velocities, has yielded a multiplicity of impact features. Although the projectile parameters are generally unknown and, in fact not identical for any two impacts on a target, the great number of impacts provides statistically meaningful basis for the valid comparison of the response of different targets. Given sufficient impacts for example, a comparison of impact features (even without knowledge of the project parameters) is possible between: (1) differing material types (for the same incident projectile distribution); (2) differing target configurations (e.g., thick and thin targets for the same material projectiles; and (3) different velocities (using LDEF's different faces). A comparison between different materials is presented for infinite targets of aluminum, Teflon, and brass in the same pointing direction; the maximum finite-target penetration (ballistic limit) is also compared to that of the penetration of similar materials comprising of a semi-infinite target. For comparison of impacts on similar materials at different velocities, use is made of the pointing direction relative to LDEF's orbital motion. First, however, care must be exercised to separate the effect of spatial flux anisotropies from those resulting from the spacecraft velocity through a geocentrically referenced dust distribution. Data comprising thick and thin target impacts, impacts on different materials, and in different pointing directions is presented; hypervelocity impact parameters are derived. Results are also shown for flux modeling codes developed to decode the relative fluxes of Earth orbital and unbound interplanetary components intercepting LDEF. Modeling shows the west and space pointing faces are dominated by interplanetary particles and yields a mean velocity of 23.5 km/s at LDEF, corresponding to a V(infinity) Earth approach velocity = 20.9 km/s. Normally resolved average impact velocities on LDEF's cardinal point faces are shown. As 'excess' flux on the east, north, and south faces is observed, compatible with an Earth orbital component below some 5 microns in particle diameter.

  7. Kinetic parameters for the thermal inactivation of quality-related enzymes in carrots and potatoes.

    PubMed

    Anthon, Gordon E; Barrett, Diane M

    2002-07-01

    Kinetic parameters for the thermal inactivation of several enzymes in carrot and potato homogenates have been determined. In carrots the most heat-resistant activity was polygalacturonase, followed by peroxidase and pectinmethylesterase. In potatoes peroxidase was the most resistant, followed by pectin methylesterase, polyphenol oxidase, and lipoxygenase. There were several notable similarities between the inactivation kinetics in the two vegetables. In both cases peroxidase activity gave simple first-order inactivation kinetics but yielded a curved Arrhenius plot for the temperature dependence. Pectin methylesterase in both commodities consisted of a labile and a resistant form. The relative amounts of the two forms and the temperature dependences for their inactivation were also similar. PMID:12083894

  8. Albite [yields] jadeite + quartz transformation in rock: Mechanism and kinetics

    SciTech Connect

    Bohlen, S.R.; Kirby, S.H. ); Hacker, B.R.

    1992-01-01

    Recent work on the calcite [yields] aragonite transformation using fully dense marble revealed significant differences from earlier experiments on powders and single-crystals. The reaction rate is retarded by a factor of > 1,000 and reaction mechanisms and resultant textures are considerably more complex. Stimulated by this, the authors conducted a study of the albite [yields] jadeite + quartz/coesite transformation in a fully dense albitite. Again the results are in marked contrast with previous powder-based studies of this archetypal metamorphic reaction. Solid cores of albitite were held at temperatures of 500-1,200 C and at pressure oversteps of 500 MPa into the jadeite + quartz stability field for 1--8 days in piston-cylinder apparatus. Samples that were dried in vacuum transformed appreciably only at temperatures in excess of 1,000 C. At all grain boundaries there is subequal transformation to micron-scale intergrowths of jadeite + quartz. Samples that were vacuum-impregnated with 1 wt% water contain jadeite + quartz to temperatures as low as 600 C. In contrast to the dried samples, transformation is much less homogeneous. The jadeite + quartz intergrowths do not form rows of subparallel crystals on grain boundaries, but rather are flower-shaped clusters that radiate outward from single nucleation sites at 3-grain edges and 4-grain corners. Compared to powders, pressure oversteps a factor of 10 greater are necessary to induce equivalent reaction in albitite. The sluggishness of this reaction has important implications for the evolution of the lower continental crust and subducting oceanic crust in terms of their (1) seismic velocity profiles, (2) petrological evolution, and (3) buoyancy forces, stresses and vertical crustal movements connected with densification and dilatational reactions.

  9. [Photosynthetic Parameters Inversion Algorithm Study Based on Chlorophyll Fluorescence Induction Kinetics Curve].

    PubMed

    Qiu, Xiao-han; Zhang, Yu-jun; Yin, Gao-fang; Shi, Chao-yi; Yu, Xiao-ya; Zhao, Nan-jing; Liu, Wen-qing

    2015-08-01

    The fast chlorophyll fluorescence induction curve contains rich information of photosynthesis. It can reflect various information of vegetation, such as, the survival status, the pathological condition and the physiology trends under the stress state. Through the acquisition of algae fluorescence and induced optical signal, the fast phase of chlorophyll fluorescence kinetics curve was fitted. Based on least square fitting method, we introduced adaptive minimum error approaching method for fast multivariate nonlinear regression fitting toward chlorophyll fluorescence kinetics curve. We realized Fo (fixedfluorescent), Fm (maximum fluorescence yield), ?PSII (PSII functional absorption cross section) details parameters inversion and the photosynthetic parameters inversion of Chlorella pyrenoidosa. And we also studied physiological variation of Chlorella pyrenoidosa under the stress of Cu(2+). PMID:26672292

  10. Role of thermodynamic and kinetic parameters in gadolinium chelate stability.

    PubMed

    Idée, Jean-Marc; Port, Marc; Robic, Caroline; Medina, Christelle; Sabatou, Monique; Corot, Claire

    2009-12-01

    In recent years there has been a renewed interest in the physicochemical properties of gadolinium chelates (GC). The aim of this review is to discuss the physicochemical properties of marketed GC with regard to possible biological consequences. GC can be classified according to three key molecular features: 1) the nature of the chelating moiety: either macrocyclic molecules in which Gd(3+) is caged in the preorganized cavity of the ligand, or linear, open-chain molecules; 2) ionicity: the ionicity of the molecule varies from neutral to tri-anionic agents; and 3) the presence or absence of an aromatic lipophilic moiety, which has a profound impact on the biodistribution of the GC. These parameters can also explain why GC differ considerably with regard to their thermodynamic stability constants and kinetic stability, as demonstrated by numerous studies. The concept of thermodynamic and kinetic stability is critically discussed, as it remains somewhat controversial, especially in predicting the amount of free gadolinium that may result from decomplexation of chelates in physiologic or pathologic situations. This review examines the possibility that the high kinetic stability provided by the macrocyclic structure combined with a high thermodynamic stability (reinforced by ionicity for macrocyclic chelates) can minimize the amount of free Gd(3+) released in the body. J. Magn. Reson. Imaging 2009;30:1249-1258. (c) 2009 Wiley-Liss, Inc. PMID:19938037

  11. [Determination of kinetic parameters of activated sludge in an MBR wastewater treatment plant].

    PubMed

    Xue, Tao; Yu, Kai-Chang; Guan, Jing; Huang, Xia; Wen, Xiang-Hua; Miao, Xue-Na; Cui, Zhi-Guang

    2011-04-01

    One of the main problems in application of MBR technology is lack of reliable kinetic parameters for process design. The activated sludge in the aerobic tank of an MBR municipal wastewater treatment plant was investigated therefore. Using oxygen utilization rate method, following kinetic parameters were measured: heterotrophic yield coefficient YH = 0.693, autotrophic yield coefficient Y(A) = 0.263, heterotrophic decay coefficient KdH, = 0.108 d(-1), autotrophic yield coefficient KdA = 0.089 d(-1), specific maximum COD removal rate v(mS), = 1.94 mg x (mg x d)(-1), half saturation constant for COD removal K(S) = 34.6 mg x L(-1), specific maximum ammonia removal rate vmN = 0.18 mg x (mg x d)(-1), half saturation constant for ammonia removal K(N) = 1.06 mg x L(-1). Compared with the normal reported data of conventional activated sludge process (CAS), Y(H), KdH obtained are higher and vmS, vmN are lower. The high sludge concentration condition of MBR process may account for those differences. PMID:21717743

  12. Parameter estimation for models of ligninolytic and cellulolytic enzyme kinetics

    SciTech Connect

    Wang, Gangsheng; Post, Wilfred M; Mayes, Melanie; Frerichs, Joshua T; Jagadamma, Sindhu

    2012-01-01

    While soil enzymes have been explicitly included in the soil organic carbon (SOC) decomposition models, there is a serious lack of suitable data for model parameterization. This study provides well-documented enzymatic parameters for application in enzyme-driven SOC decomposition models from a compilation and analysis of published measurements. In particular, we developed appropriate kinetic parameters for five typical ligninolytic and cellulolytic enzymes ( -glucosidase, cellobiohydrolase, endo-glucanase, peroxidase, and phenol oxidase). The kinetic parameters included the maximum specific enzyme activity (Vmax) and half-saturation constant (Km) in the Michaelis-Menten equation. The activation energy (Ea) and the pH optimum and sensitivity (pHopt and pHsen) were also analyzed. pHsen was estimated by fitting an exponential-quadratic function. The Vmax values, often presented in different units under various measurement conditions, were converted into the same units at a reference temperature (20 C) and pHopt. Major conclusions are: (i) Both Vmax and Km were log-normal distributed, with no significant difference in Vmax exhibited between enzymes originating from bacteria or fungi. (ii) No significant difference in Vmax was found between cellulases and ligninases; however, there was significant difference in Km between them. (iii) Ligninases had higher Ea values and lower pHopt than cellulases; average ratio of pHsen to pHopt ranged 0.3 0.4 for the five enzymes, which means that an increase or decrease of 1.1 1.7 pH units from pHopt would reduce Vmax by 50%. (iv) Our analysis indicated that the Vmax values from lab measurements with purified enzymes were 1 2 orders of magnitude higher than those for use in SOC decomposition models under field conditions.

  13. Pyrolysis of Sawdust, Rice Husk and Sugarcane Bagasse: Kinetic Modeling and Estimation of Kinetic Parameters using Different Optimization Tools

    NASA Astrophysics Data System (ADS)

    Khonde, Ruta Dhanram; Chaurasia, Ashish Subhash

    2015-04-01

    The present study provides the kinetic model to describe the pyrolysis of sawdust, rice-husk and sugarcane bagasse as biomass. The kinetic scheme used for modelling of primary pyrolysis consisting of the two parallel reactions giving gaseous volatiles and solid char. Estimation of kinetic parameters for pyrolysis process has been carried out for temperature range of 773-1,173 K. As there are serious issues regarding non-convergence of some of the methods or solutions converging to local-optima, the proposed kinetic model is optimized to predict the best values of kinetic parameters for the system using three approaches—Two-dimensional surface fitting non-linear regression technique, MS-Excel Solver Tool and COMSOL software. The model predictions are in agreement with experimental data over a wide range of pyrolysis conditions. The estimated value of kinetic parameters are compared with earlier researchers and found to be matching well.

  14. Kinetic parameters related to sources and sinks of vibrationally excited OH in the nightglow

    SciTech Connect

    McDade, I.C.; Llewellyn, E.J. )

    1987-07-01

    Kinetic parameters related to vibrational deactivation and chemical removal of vibrationally excited OH radicals in the mesosphere are deduced from ground-based measurements of the mean vibrational distribution of the OH Meinel bands in the nightglow. The derived parameters, which rely on a laboratory measured rate coefficient for the removal of OH(v = 9) by O{sub 2} and a set of relative Meinel band transition probabilities, have been obtained for two limiting Meinel band excitation models that differ in the extent to which single-quantum vibrational deactivation and sudden death' collisional removal processes determine the OH vibrational distribution. It is shown that the OH Meinel band emission can be adequately explained with the deduced parameters and the H + O{sub 3} {yields} OH + O{sub 2} reaction as the only chemical source of vibrationally excited OH. Evidence is presented which suggests that the reaction HO{sub 2} + O {leftrightarrow} HO + O{sub 2} may perhaps be involved as a sink of vibrationally excited OH rather than as a potential source. The deduced kinetic parameters should be particularly useful in future Meinel band studies as they have been obtained from an analysis for which there is no assumption about the very uncertain OH radiative lifetimes.

  15. Impact of sustaining a controlled residual growth on polyhydroxybutyrate yield and production kinetics in Cupriavidus necator.

    PubMed

    Grousseau, Estelle; Blanchet, Elise; Déléris, Stéphane; Albuquerque, Maria G E; Paul, Etienne; Uribelarrea, Jean-Louis

    2013-11-01

    In this study a complementary modeling and experimental approach was used to explore how growth controls the NADPH generation and availability, and the resulting impact on PHB (polyhydroxybutyrate) yields and kinetics. The results show that the anabolic demand allowed the NADPH production through the Entner-Doudoroff (ED) pathway, leading to a high maximal theoretical PHB production yield of 0.89 C mole C mole(-1); whereas without biomass production, NADPH regeneration is only possible via the isocitrate dehydrogenase leading to a theoretical yield of 0.67 C mole C mole(-1). Furthermore, the maximum specific rate of NADPH produced at maximal growth rate (to fulfil biomass requirement) was found to be the maximum set in every conditions, which by consequence determines the maximal PHB production rate. These results imply that sustaining a controlled residual growth improves the PHB specific production rate without altering production yield. PMID:24035890

  16. Unscented Kalman filter with parameter identifiability analysis for the estimation of multiple parameters in kinetic models.

    PubMed

    Baker, Syed Murtuza; Poskar, C Hart; Junker, Björn H

    2011-01-01

    In systems biology, experimentally measured parameters are not always available, necessitating the use of computationally based parameter estimation. In order to rely on estimated parameters, it is critical to first determine which parameters can be estimated for a given model and measurement set. This is done with parameter identifiability analysis. A kinetic model of the sucrose accumulation in the sugar cane culm tissue developed by Rohwer et al. was taken as a test case model. What differentiates this approach is the integration of an orthogonal-based local identifiability method into the unscented Kalman filter (UKF), rather than using the more common observability-based method which has inherent limitations. It also introduces a variable step size based on the system uncertainty of the UKF during the sensitivity calculation. This method identified 10 out of 12 parameters as identifiable. These ten parameters were estimated using the UKF, which was run 97 times. Throughout the repetitions the UKF proved to be more consistent than the estimation algorithms used for comparison. PMID:21989173

  17. Co-pyrolysis characteristics of microalgae Isochrysis and Chlorella: Kinetics, biocrude yield and interaction.

    PubMed

    Zhao, Bingwei; Wang, Xin; Yang, Xiaoyi

    2015-12-01

    Co-pyrolysis characteristics of Isochrysis (high lipid) and Chlorella (high protein) were investigated qualitatively and quantitatively based on DTG curves, biocrude yield and composition by individual pyrolysis and co-pyrolysis. DTG curves in co-pyrolysis have been compared accurately with those in individual pyrolysis. An interaction has been detected at 475-500°C in co-pyrolysis based on biocrude yields, and co-pyrolysis reaction mechanism appear three-dimensional diffusion in comparison with random nucleation followed by growth in individual pyrolysis based on kinetic analysis. There is no obvious difference in the maximum biocrude yields for individual pyrolysis and co-pyrolysis, but carboxylic acids (IC21) decreased and N-heterocyclic compounds (IC12) increased in co-pyrolysis. Simulation results of biocrude yield by Components Biofuel Model and Kinetics Biofuel Model indicate that the processes of co-pyrolysis comply with those of individual pyrolysis in solid phase by and large. Variation of percentage content in co-pyrolysis and individual pyrolysis biocrude indicated interaction in gas phase. PMID:26407347

  18. The use of automated parameter searches to improve ion channel kinetics for neural modeling.

    PubMed

    Hendrickson, Eric B; Edgerton, Jeremy R; Jaeger, Dieter

    2011-10-01

    The voltage and time dependence of ion channels can be regulated, notably by phosphorylation, interaction with phospholipids, and binding to auxiliary subunits. Many parameter variation studies have set conductance densities free while leaving kinetic channel properties fixed as the experimental constraints on the latter are usually better than on the former. Because individual cells can tightly regulate their ion channel properties, we suggest that kinetic parameters may be profitably set free during model optimization in order to both improve matches to data and refine kinetic parameters. To this end, we analyzed the parameter optimization of reduced models of three electrophysiologically characterized and morphologically reconstructed globus pallidus neurons. We performed two automated searches with different types of free parameters. First, conductance density parameters were set free. Even the best resulting models exhibited unavoidable problems which were due to limitations in our channel kinetics. We next set channel kinetics free for the optimized density matches and obtained significantly improved model performance. Some kinetic parameters consistently shifted to similar new values in multiple runs across three models, suggesting the possibility for tailored improvements to channel models. These results suggest that optimized channel kinetics can improve model matches to experimental voltage traces, particularly for channels characterized under different experimental conditions than recorded data to be matched by a model. The resulting shifts in channel kinetics from the original template provide valuable guidance for future experimental efforts to determine the detailed kinetics of channel isoforms and possible modulated states in particular types of neurons. PMID:21243419

  19. High-yield hydrogen production from biomass by in vitro metabolic engineering: Mixed sugars coutilization and kinetic modeling.

    PubMed

    Rollin, Joseph A; Martin del Campo, Julia; Myung, Suwan; Sun, Fangfang; You, Chun; Bakovic, Allison; Castro, Roberto; Chandrayan, Sanjeev K; Wu, Chang-Hao; Adams, Michael W W; Senger, Ryan S; Zhang, Y-H Percival

    2015-04-21

    The use of hydrogen (H2) as a fuel offers enhanced energy conversion efficiency and tremendous potential to decrease greenhouse gas emissions, but producing it in a distributed, carbon-neutral, low-cost manner requires new technologies. Herein we demonstrate the complete conversion of glucose and xylose from plant biomass to H2 and CO2 based on an in vitro synthetic enzymatic pathway. Glucose and xylose were simultaneously converted to H2 with a yield of two H2 per carbon, the maximum possible yield. Parameters of a nonlinear kinetic model were fitted with experimental data using a genetic algorithm, and a global sensitivity analysis was used to identify the enzymes that have the greatest impact on reaction rate and yield. After optimizing enzyme loadings using this model, volumetric H2 productivity was increased 3-fold to 32 mmol H2?L(-1)?h(-1). The productivity was further enhanced to 54 mmol H2?L(-1)?h(-1) by increasing reaction temperature, substrate, and enzyme concentrations--an increase of 67-fold compared with the initial studies using this method. The production of hydrogen from locally produced biomass is a promising means to achieve global green energy production. PMID:25848015

  20. High-yield hydrogen production from biomass by in vitro metabolic engineering: Mixed sugars coutilization and kinetic modeling

    PubMed Central

    Rollin, Joseph A.; Martin del Campo, Julia; Myung, Suwan; Sun, Fangfang; You, Chun; Bakovic, Allison; Castro, Roberto; Chandrayan, Sanjeev K.; Wu, Chang-Hao; Adams, Michael W. W.; Senger, Ryan S.; Zhang, Y.-H. Percival

    2015-01-01

    The use of hydrogen (H2) as a fuel offers enhanced energy conversion efficiency and tremendous potential to decrease greenhouse gas emissions, but producing it in a distributed, carbon-neutral, low-cost manner requires new technologies. Herein we demonstrate the complete conversion of glucose and xylose from plant biomass to H2 and CO2 based on an in vitro synthetic enzymatic pathway. Glucose and xylose were simultaneously converted to H2 with a yield of two H2 per carbon, the maximum possible yield. Parameters of a nonlinear kinetic model were fitted with experimental data using a genetic algorithm, and a global sensitivity analysis was used to identify the enzymes that have the greatest impact on reaction rate and yield. After optimizing enzyme loadings using this model, volumetric H2 productivity was increased 3-fold to 32 mmol H2?L?1?h?1. The productivity was further enhanced to 54 mmol H2?L?1?h?1 by increasing reaction temperature, substrate, and enzyme concentrations—an increase of 67-fold compared with the initial studies using this method. The production of hydrogen from locally produced biomass is a promising means to achieve global green energy production. PMID:25848015

  1. Uncertainty in thermal process calculations due to variability in first-order and Weibull kinetic parameters.

    PubMed

    Halder, A; Datta, A K; Geedipalli, S S R

    2007-05-01

    Alternatives to first-order model of death kinetics of microorganisms have been proposed as improvements in the calculation of lethality for a thermal process. Although such models can potentially improve predictions for many situations, this article tries to answer the question of whether the added complexities of these models are a worthwhile investment once we include the effect of uncertainties in various microbiological and process parameters. Monte Carlo technique is used to include variability in kinetic parameters in lethality calculation for a number of heating processes, for both first-order and Weibull kinetics models. It is shown that uncertainties represented by coefficient of variation in kinetic parameters lead to a wide range of final log-reduction prediction. With the same percent variability in kinetic parameters, uncertainty in the final log reduction for Weibull kinetics was smaller or equal to that for first-order kinetics. Due to the large effect of variability in the input parameters on the final log reduction, the effort to move toward more accurate kinetic models needs to be weighed against inclusion of variability. PMID:17995767

  2. Parameter Optimization for Enhancement of Ethanol Yield by Atmospheric Pressure DBD-Treated Saccharomyces cerevisiae

    NASA Astrophysics Data System (ADS)

    Dong, Xiaoyu; Yuan, Yulian; Tang, Qian; Dou, Shaohua; Di, Lanbo; Zhang, Xiuling

    2014-01-01

    In this study, Saccharomyces cerevisiae (S. cerevisiae) was exposed to dielectric barrier discharge plasma (DBD) to improve its ethanol production capacity during fermentation. Response surface methodology (RSM) was used to optimize the discharge-associated parameters of DBD for the purpose of maximizing the ethanol yield achieved by DBD-treated S. cerevisiae. According to single factor experiments, a mathematical model was established using Box-Behnken central composite experiment design, with plasma exposure time, power supply voltage, and exposed-sample volume as impact factors and ethanol yield as the response. This was followed by response surface analysis. Optimal experimental parameters for plasma discharge-induced enhancement in ethanol yield were plasma exposure time of 1 min, power voltage of 26 V, and an exposed sample volume of 9 mL. Under these conditions, the resulting yield of ethanol was 0.48 g/g, representing an increase of 33% over control.

  3. Parameter Estimates in Differential Equation Models for Chemical Kinetics

    ERIC Educational Resources Information Center

    Winkel, Brian

    2011-01-01

    We discuss the need for devoting time in differential equations courses to modelling and the completion of the modelling process with efforts to estimate the parameters in the models using data. We estimate the parameters present in several differential equation models of chemical reactions of order n, where n = 0, 1, 2, and apply more general…

  4. Steam pressure disruption of municipal solid waste enhances anaerobic digestion kinetics and biogas yield.

    PubMed

    Liu, H W; Walter, H K; Vogt, G M; Vogt, H S; Holbein, B E

    2002-01-20

    Biomass waste, including municipal solid waste (MSW), contains lignocellulosic-containing fiber components that are not readily available as substrates for anaerobic digestion due to the physical shielding of cellulose imparted by the nondigestible lignin. Consequently, a substantial portion of the potentially available carbon is not converted to methane and the incompletely digested residues from anaerobic digestion generally require additional processing prior to their return to the environment. We investigated and developed steam pressure disruption as a treatment step to render lignocellulosic-rich biomass more digestible and as a means for increasing methane energy recovery. The rapid depressurization after steam heating (240 degrees C, 5 min.) of the nondigested residues following a 30-day primary digestion of MSW caused a visible disruption of fibers and release of soluble organic components. The disrupted material, after reinoculation, provided a rapid burst in methane production at rates double those observed in the initial digestion. This secondary digestion proceeded without a lag phase in gas production, provided approximately 40% additional methane yields, and was accompanied by a approximately 40% increase in volatile solids reduction. The secondary digestate was found to be enriched in lignin and significantly depleted in cellulose and hemi-cellulose components when compared to primary digestate. Thus, steam pressure disruption treatment rendered lignocellulosic substrates readily accessible to anaerobic digestion bacteria and improved both the kinetics of biogas production and the overall methane yield from MSW. Steam pressure disruption is central to a new anaerobic digestion process approach including sequential digestion stages and integrated energy recovery, to improve process yields, provide cogenerated energy for process needs, and to provide effective reuse and recycling of waste biomass materials. PMID:11753918

  5. Estimation of kinetic parameters related to biochemical interactions between hydrogen peroxide and signal transduction proteins

    NASA Astrophysics Data System (ADS)

    Brito, Paula; Antunes, Fernando

    2014-10-01

    The lack of kinetic data concerning the biological effects of reactive oxygen species is slowing down the development of the field of redox signaling. Herein, we deduced and applied equations to estimate kinetic parameters from typical redox signaling experiments. H2O2-sensing mediated by the oxidation of a protein target and the switch-off of this sensor, by being converted back to its reduced form, are the two processes for which kinetic parameters are determined. The experimental data required to apply the equations deduced is the fraction of the H2O2 sensor protein in the reduced or in the oxidized state measured in intact cells or living tissues after exposure to either endogenous or added H2O2. Either non-linear fittings that do not need transformation of the experimental data or linearized plots in which deviations from the equations are easily observed can be used. The equations were shown to be valid by fitting to them virtual time courses simulated with a kinetic model. The good agreement between the kinetic parameters estimated in these fittings and those used to simulate the virtual time courses supported the accuracy of the kinetic equations deduced. Finally, equations were successfully tested with real data taken from published experiments that describe redox signaling mediated by the oxidation of two protein tyrosine phosphatases, PTP1B and SHP-2, which are two of the few H2O2-sensing proteins with known kinetic parameters. Whereas for PTP1B estimated kinetic parameters fitted in general the present knowledge, for SHP-2 results obtained suggest that reactivity towards H2O2 as well as the rate of SHP-2 regeneration back to its reduced form are higher than previously thought. In conclusion, valuable quantitative kinetic data can be estimated from typical redox signaling experiments, thus improving our understanding about the complex processes that underline the interplay between oxidative stress and redox signaling responses.

  6. Mathematical and statistical analysis of the effect of boron on yield parameters of wheat

    SciTech Connect

    Rawashdeh, Hamzeh; Sala, Florin; Boldea, Marius

    2015-03-10

    The main objective of this research is to investigate the effect of foliar applications of boron at different growth stages on yield and yield parameters of wheat. The contribution of boron in achieving yield parameters is described by second degree polynomial equations, with high statistical confidence (p<0.01; F theoretical < F calculated, according to ANOVA test, for Alfa = 0.05). Regression analysis, based on R{sup 2} values obtained, made it possible to evaluate the particular contribution of boron to the realization of yield parameters. This was lower for spike length (R{sup 2} = 0.812), thousand seeds weight (R{sup 2} = 0.850) and higher in the case of the number of spikelets (R{sup 2} = 0.936) and the number of seeds on a spike (R{sup 2} = 0.960). These results confirm that boron plays an important part in achieving the number of seeds on a spike in the case of wheat, as the contribution of this element to the process of flower fertilization is well-known. In regards to productivity elements, the contribution of macroelements to yield quantity is clear, the contribution of B alone being R{sup 2} = 0.868.

  7. Determining the Kinetic Parameters Characteristic of Microalgal Growth.

    ERIC Educational Resources Information Center

    Martinez Sancho, Maria Eugenie; And Others

    1991-01-01

    An activity in which students obtain a growth curve for algae, identify the exponential and linear growth phases, and calculate the parameters which characterize both phases is described. The procedure, a list of required materials, experimental conditions, analytical technique, and a discussion of the interpretations of individual results are…

  8. Validity of repeated initial rise thermoluminescence kinetic parameter determinations

    SciTech Connect

    Kierstead, J.A.; Levy, P.W.

    1990-01-01

    The validity of thermoluminescence (TL) analysis by repeated initial rise measurements has been studied by computer simulation. Thermoluminescence described by 1st Order, 2nd Order, General One Trap and Interactive TL Kinetics was investigated. In the simulation each of the repeated temperature increase and decrease cycles contains a linear temperature increase followed by a decrease appropriate for radiative cooling, i.e. the latter is approximated by a decreasing exponential. The activation energies computed from the simulated emission are readily compared with those used to compute the TL emission. In all cases studied, the repeated initial rise technique provides reliable results only for single peak glow curves or for glow curves containing peaks that do not overlap and, if sufficiently separated, the lowest temperature peak in multipeak curves. Also the temperatures, or temperature cycles corresponding to correct activation energies occur on the low temperature side of the normal glow curve, often well below the peak temperature. A variety of misleading and/or incorrect results an be obtained when the repeated initial rise technique is applied to TL systems that produce overlapping peaks in the usual glow curve. 6 refs., 10 figs.

  9. The determination of pulsed reactor kinetic behavior based upon prepulse parameter measurements

    NASA Astrophysics Data System (ADS)

    Minnema, Douglas Martin

    This dissertation develops a method to allow the determination of the SPR III fast burst reactor's kinetic behavior based on pre-pulse measurements. The purpose is to reduce the vulnerability of pulse operations to human errors, and to improve understanding of the reactor's interactions with experiments. First, the operational history of SPR III over a wide range of experimental conditions was evaluated, looking for relationships among measured parameters. Second, the physical bases for the observed relationships were determined. Finally, the theoretical models were modified to account for the observed relationships. Computer simulations were utilized to validate the resulting models. Fast Burst Reactors (FBR) are a unique class of research reactors that generate high yield, self-terminated, short duration power pulses. Electromechanical shutdown mechanisms cannot respond quickly enough to truncate a pulse once it has been initiated, but can only mitigate post-pulse heat generation. These reactors are designed to accommodate a wide range of experimental conditions. Therefore, potential exists for an unintentional over-insertion of reactivity during a pulse operation, producing a yield capable of damaging the reactor. The safe operation of an FBR depends directly upon the knowledge, experience, skill, and judgment of the operating staff to compensate for the limitations of safety systems. This dissertation enhances the safety of these operations by identifying the mechanisms by which experiments influence the reactor's behavior, and improving the operating staff's ability to determine the impact of those influences on the reactor. Using pre-pulse reactivity measurements, this dissertation allows the operating staff to predict the change in the reactivity worth of the pulse element caused by the experiment before actually measuring it. It is also demonstrated that experiments neutronically behave as loosely-coupled reflectors, and the kinetic behavior of the reflected reactor during a pulse can be adequately modeled by treating the reflected neutrons in a manner analogous to additional delayed neutron groups. Observed changes in the reactor's negative temperature feedback coefficient due to experiments are also evaluated and explained.

  10. Solid State Kinetic Parameters and Chemical Mechanism of the Dehydration of CoCl2.6H2O.

    ERIC Educational Resources Information Center

    Ribas, Joan; And Others

    1988-01-01

    Presents an experimental example illustrating the most common methods for the determination of kinetic parameters. Discusses the different theories and equations to be applied and the mechanism derived from the kinetic results. (CW)

  11. Multi-Parameter Yield Zone Model for Predicting Spectrum Crack Growth

    NASA Technical Reports Server (NTRS)

    Johnson, W. S.

    1980-01-01

    A systematic technique is presented for modeling crack growth load interaction effects due to spectrum loading. The Multi-Parameter Yield Zone (MPYZ) model accounts for crack growth retardation, acceleration, and underload effects. The load interactions are attributed to the residual stress intensity due to the plastic deformation at the crack tip. Fatigue crack growth was predicted and compared with test data for a variety of spectrum loadings.

  12. Parameter estimations for the kinetics of de-hydriding reaction between zirconium-cobalt and hydrogen

    SciTech Connect

    Chang, M. H.; Cho, S.; Lee, E. S.; Ahn, M. Y.; Kim, D. H.; Jung, J. J.; Chung, H.; Shim, M.; Song, K. M.; Kim, D.; Yoshida, H.

    2008-07-15

    The de-hydriding reaction between ZrCo and hydrogen is the most important role of delivering hydrogen isotopes for fusion energies. Many researchers experimented in various conditions and estimated the relationship between ZrCo and hydrogen. In this study the kinetic approaches are performed using numerical simulations between ZrCo and hydrogen. Two kinds of parameter estimations are performed for the equilibrium pressure and the kinetics modeling and those are validated by the good agreement between predicted and experimental data. Based on the numerical simulation with obtained parameters, more rapid rates of de-hydriding reaction can be achieved with lower pressure and higher temperature. (authors)

  13. A comparative study of seed yield parameters in Arabidopsis thaliana mutants and transgenics.

    PubMed

    Van Daele, Inge; Gonzalez, Nathalie; Vercauteren, Ilse; de Smet, Lien; Inzé, Dirk; Roldán-Ruiz, Isabel; Vuylsteke, Marnik

    2012-05-01

    Because seed yield is the major factor determining the commercial success of grain crop cultivars, there is a large interest to obtain more understanding of the genetic factors underlying this trait. Despite many studies, mainly in the model plant Arabidopsis thaliana, have reported transgenes and mutants with effects on seed number and/or seed size, knowledge about seed yield parameters remains fragmented. This study investigated the effect of 46 genes, either in gain- and/or loss-of-function situations, with a total of 64 Arabidopsis lines being examined for seed phenotypes such as seed size, seed number per silique, number of inflorescences, number of branches on the main inflorescence and number of siliques. Sixteen of the 46 genes, examined in 14 Arabidopsis lines, were reported earlier to directly affect in seed size and/or seed number or to indirectly affect seed yield by their involvement in biomass production. Other genes involved in vegetative growth, flower or inflorescence development or cell division were hypothesized to potentially affect the final seed size and seed number. Analysis of this comprehensive data set shows that of the 14 lines previously described to be affected in seed size or seed number, only nine showed a comparable effect. Overall, this study provides the community with a useful resource for identifying genes with effects on seed yield and candidate genes underlying seed QTL. In addition, this study highlights the need for more thorough analysis of genes affecting seed yield. PMID:22332878

  14. Thermodynamic Characterization of Five Key Kinetic Parameters that Define Neuronal Nitric Oxide Synthase Catalysis

    PubMed Central

    Haque, Mohammad Mahfuzul; Tejero, Jesús; Bayachou, Mekki; Wang, Zhi-Qiang; Fadlalla, Mohammed; Stuehr, Dennis J.

    2013-01-01

    NO synthase (NOS) enzymes convert L-arginine to NO in two sequential reactions whose rates (kcat1 and kcat2) are both limited by the rate of ferric heme reduction (kr). An enzyme ferric heme-NO complex forms as an immediate product complex and then undergoes either dissociation (at a rate that we denote as kd) to release NO in a productive manner, or reduction (kr) to form a ferrous heme-NO complex (FeIINO) that must react with O2 (at a rate that we denote as kox) in a NO dioxygenase reaction that regenerates the ferric enzyme. The interplay of these five kinetic parameters (kcat1, kcat2, kr, kd, and kox) determine NOS specific activity, O2 concentration response, and pulsatile versus steady-state NO generation. Here we utilized stopped-flow spectroscopy and single catalytic turnover methods to characterize the individual temperature dependencies of the five kinetic parameters of rat neuronal NOS (nNOS). We then incorporated the measured kinetic values into computer simulations of the nNOS reaction using a global kinetic model to comprehensively model its temperature-dependent catalytic behaviors. Our results provide new mechanistic insights and also reveal that the different temperature dependencies of the five kinetic parameters significantly alter nNOS catalytic behaviors and NO release efficiency as a function of temperature. PMID:23789902

  15. Evaluation of Anaerobic Biofilm Reactor Kinetic Parameters Using Ant Colony Optimization

    PubMed Central

    Satya, Eswari Jujjavarapu; Venkateswarlu, Chimmiri

    2013-01-01

    Abstract Fixed bed reactors with naturally attached biofilms are increasingly used for anaerobic treatment of industry wastewaters due their effective treatment performance. The complex nature of biological reactions in biofilm processes often poses difficulty in analyzing them experimentally, and mathematical models could be very useful for their design and analysis. However, effective application of biofilm reactor models to practical problems suffers due to the lack of knowledge of accurate kinetic models and uncertainty in model parameters. In this work, an inverse modeling approach based on ant colony optimization is proposed and applied to estimate the kinetic and film thickness model parameters of wastewater treatment process in an anaerobic fixed bed biofilm reactor. Experimental data of pharmaceutical industry wastewater treatment process are used to determine the model parameters as a consequence of the solution of the rigorous mathematical models of the process. Results were evaluated for different modeling configurations derived from the combination of mathematical models, kinetic expressions, and optimization algorithms. Analysis of results showed that the two-dimensional mathematical model with Haldane kinetics better represents the pharmaceutical wastewater treatment in the biofilm reactor. The mathematical and kinetic modeling of this work forms a useful basis for the design and optimization of industry wastewater treating biofilm reactors. PMID:24065871

  16. Determination of Kinetic Parameters within a Single Nonisothermal On-Flow Experiment by Nanoliter NMR Spectroscopy.

    PubMed

    Gomez, M Victoria; Rodriguez, Antonio M; de la Hoz, Antonio; Jimenez-Marquez, Francisco; Fratila, Raluca M; Barneveld, Peter A; Velders, Aldrik H

    2015-10-20

    Conventional methods to determine the kinetic parameters for a certain reaction require multiple, separate isothermal experiments, resulting in time- and material-consuming processes. Here, an approach to determine the kinetic information within a single nonisothermal on-flow experiment is presented, consuming less than 10 ?mol of reagents and having a total measuring time of typically 10 min. This approach makes use of a microfluidic NMR chip hyphenated to a continuous-flow microreactor and is based on the capabilities of the NMR chip to analyze subnanomole quantities of material in the 25 nL detection volume. Importantly, useful data are acquired from the microreactor platform in specific isothermal and nonisothermal frames. A model fitting the experimental data enables rapid determination of kinetic parameters, as demonstrated for a library of isoxazole and pyrazole derivatives. PMID:26383715

  17. Kinetic Parameters for the Noncatalyzed and Enzyme-Catalyzed Mutarotation of Glucose Using a Blood Glucometer

    ERIC Educational Resources Information Center

    Hardee, John R.; Delgado, Bryan; Jones, Wray

    2011-01-01

    The kinetic parameters for the conversion of alpha-D-glucose to beta-D-glucose were measured using a blood glucometer. The reaction order, rate constant, and Arrhenius activation energy are reported for the noncatalyzed reaction and turnover number and Michaelis constant are reported for the reaction catalyzed by porcine kidney mutarotase. The…

  18. Evaluation of kinetic parameters for water soluble crystals by thermo gravimetric analysis

    NASA Astrophysics Data System (ADS)

    Rama, S.; Surendra Dilip, C.; Perumal, Rajesh Narayana

    2015-01-01

    This work elevates the relevance of kinetic parameters of nucleation and thermal decomposition for water soluble crystals. The positive soluble Potassium Dihydrogen Phosphate (KDP) and negative soluble Lithium Sulfate Monohydrate (LSMH) materials were chosen for the kinetic evaluation. The results obtained from the classical nucleation theory are verified with the kinetic parameters which are evaluated from thermo gravimetric analysis. Nucleation parameters of a crystallization process such as interfacial energy (?), volume free energy (?Gv), critical energy barrier for nucleation (?G*), radius of the critical nucleus (r*) and nucleation rate (J) of the positive (KDP) and negative solubility (LSMH) crystals are determined from the classical nucleation theory of solubility-enthalpy relation. The kinetic parameters viz. the order of reaction, enthalpy, Gibbs free energy of activation, frequency factor, and entropy of activation are obtained from the TG based models viz. Horowitz-Metzger, Coats-Redfern and Piloyan-Novikova. The effect of varying temperature with relative variation on Gibbs free energy for both positive and negative solubility crystals is also discussed. The developed model holds good for both positive and negative solubility crystals.

  19. A method for determining crystallization kinetic parameters from one nonisothermal calorimetric experiment

    E-print Network

    Mitchell, Brian S.

    A method for determining crystallization kinetic parameters from one nonisothermal calorimetric rate in an isothermal process can be translated into the nonisothermal transformation in an isokinetic crystallization is dominant in the bulk a-Se and LS2 samples, whereas surface crystallization is dominant

  20. Catalytic Hydrodeoxygenation of Methyl-Substituted Phenols: Correlations of Kinetic Parameters with Molecular Properties

    E-print Network

    Simons, Jack

    Catalytic Hydrodeoxygenation of Methyl-Substituted Phenols: Correlations of Kinetic ParametersVed: December 15, 2005; In Final Form: April 12, 2006 The hydrodeoxygenation of methyl-substituted phenols and valence orbital ionization potentials for all of the substituted phenol reactants. Correlations were

  1. Genetic parameters of test-day milk yield in Guzerá cattle under tropical conditions.

    PubMed

    Cruz, D A C; Peixoto, M G C D; Bruneli, F A T; Bignardi, A B; El Faro, L

    2015-01-01

    The objective of this study was to estimate genetic parameters for test-day milk yield (TDMY) in Guzerá cows using random regression models. Additive and permanent environmental random effects were modeled by random regression on fourth- and fifth-order orthogonal Legendre polynomials, respectively. The residual variances were heterogeneous, with seven classes. Heritability estimates for TDMY ranged from 0.24 to 0.52, with higher heritabilities for yields during early lactation. Genetic correlations between TDMYs ranged from -0.03 to 0.95. The phenotypic and permanent environmental correlations were all positive, and the highest estimates were between adjacent TDMYs. The results suggest that TDMYs obtained with random regression models may be used as selection criteria for Guzerá cattle. PMID:26535676

  2. Splitting parameter yield (SPY): A program for semiautomatic analysis of shear-wave splitting

    NASA Astrophysics Data System (ADS)

    Zaccarelli, Lucia; Bianco, Francesca; Zaccarelli, Riccardo

    2012-03-01

    SPY is a Matlab algorithm that analyzes seismic waveforms in a semiautomatic way, providing estimates of the two observables of the anisotropy: the shear-wave splitting parameters. We chose to exploit those computational processes that require less intervention by the user, gaining objectivity and reliability as a result. The algorithm joins the covariance matrix and the cross-correlation techniques, and all the computation steps are interspersed by several automatic checks intended to verify the reliability of the yields. The resulting semiautomation generates two new advantages in the field of anisotropy studies: handling a huge amount of data at the same time, and comparing different yields. From this perspective, SPY has been developed in the Matlab environment, which is widespread, versatile, and user-friendly. Our intention is to provide the scientific community with a new monitoring tool for tracking the temporal variations of the crustal stress field.

  3. Biosolar cells: global artificial photosynthesis needs responsive matrices with quantum coherent kinetic control for high yield.

    PubMed

    Purchase, R L; de Groot, H J M

    2015-06-01

    This contribution discusses why we should consider developing artificial photosynthesis with the tandem approach followed by the Dutch BioSolar Cells consortium, a current operational paradigm for a global artificial photosynthesis project. We weigh the advantages and disadvantages of a tandem converter against other approaches, including biomass. Owing to the low density of solar energy per unit area, artificial photosynthetic systems must operate at high efficiency to minimize the land (or sea) area required. In particular, tandem converters are a much better option than biomass for densely populated countries and use two photons per electron extracted from water as the raw material into chemical conversion to hydrogen, or carbon-based fuel when CO2 is also used. For the average total light sum of 40 mol m(-2) d(-1) for The Netherlands, the upper limits are many tons of hydrogen or carbon-based fuel per hectare per year. A principal challenge is to forge materials for quantitative conversion of photons to chemical products within the physical limitation of an internal potential of ca 2.9 V. When going from electric charge in the tandem to hydrogen and back to electricity, only the energy equivalent to 1.23 V can be stored in the fuel and regained. A critical step is then to learn from nature how to use the remaining difference of ca 1.7 V effectively by triple use of one overpotential for preventing recombination, kinetic stabilization of catalytic intermediates and finally generating targeted heat for the release of oxygen. Probably the only way to achieve this is by using bioinspired responsive matrices that have quantum-classical pathways for a coherent conversion of photons to fuels, similar to what has been achieved by natural selection in evolution. In appendix A for the expert, we derive a propagator that describes how catalytic reactions can proceed coherently by a convergence of time scales of quantum electron dynamics and classical nuclear dynamics. We propose that synergy gains by such processes form a basis for further progress towards high efficiency and yield for a global project on artificial photosynthesis. Finally, we look at artificial photosynthesis research in The Netherlands and use this as an example of how an interdisciplinary approach is beneficial to artificial photosynthesis research. We conclude with some of the potential societal consequences of a large-scale roll out of artificial photosynthesis. PMID:26052428

  4. Biosolar cells: global artificial photosynthesis needs responsive matrices with quantum coherent kinetic control for high yield

    PubMed Central

    Purchase, R. L.; de Groot, H. J. M.

    2015-01-01

    This contribution discusses why we should consider developing artificial photosynthesis with the tandem approach followed by the Dutch BioSolar Cells consortium, a current operational paradigm for a global artificial photosynthesis project. We weigh the advantages and disadvantages of a tandem converter against other approaches, including biomass. Owing to the low density of solar energy per unit area, artificial photosynthetic systems must operate at high efficiency to minimize the land (or sea) area required. In particular, tandem converters are a much better option than biomass for densely populated countries and use two photons per electron extracted from water as the raw material into chemical conversion to hydrogen, or carbon-based fuel when CO2 is also used. For the average total light sum of 40 mol m?2 d?1 for The Netherlands, the upper limits are many tons of hydrogen or carbon-based fuel per hectare per year. A principal challenge is to forge materials for quantitative conversion of photons to chemical products within the physical limitation of an internal potential of ca 2.9 V. When going from electric charge in the tandem to hydrogen and back to electricity, only the energy equivalent to 1.23 V can be stored in the fuel and regained. A critical step is then to learn from nature how to use the remaining difference of ca 1.7 V effectively by triple use of one overpotential for preventing recombination, kinetic stabilization of catalytic intermediates and finally generating targeted heat for the release of oxygen. Probably the only way to achieve this is by using bioinspired responsive matrices that have quantum–classical pathways for a coherent conversion of photons to fuels, similar to what has been achieved by natural selection in evolution. In appendix A for the expert, we derive a propagator that describes how catalytic reactions can proceed coherently by a convergence of time scales of quantum electron dynamics and classical nuclear dynamics. We propose that synergy gains by such processes form a basis for further progress towards high efficiency and yield for a global project on artificial photosynthesis. Finally, we look at artificial photosynthesis research in The Netherlands and use this as an example of how an interdisciplinary approach is beneficial to artificial photosynthesis research. We conclude with some of the potential societal consequences of a large-scale roll out of artificial photosynthesis. PMID:26052428

  5. Constraints on effective field theory parameters for the {Lambda}N{yields}NN transition

    SciTech Connect

    Perez-Obiol, Axel; Parreno, Assumpta; Julia-Diaz, Bruno

    2011-08-15

    The relation between the low-energy constants appearing in the effective field theory description of the {Lambda}N{yields}NN transition potential and the parameters of the one-meson-exchange model previously developed is obtained. We extract the relative importance of the different exchange mechanisms included in the meson picture by means of a comparison to the corresponding operational structures appearing in the effective approach. The ability of this procedure to obtain the weak baryon-baryon-meson couplings for a possible scalar exchange is also discussed.

  6. Genetic Parameters for Milk Yield and Lactation Persistency Using Random Regression Models in Girolando Cattle

    PubMed Central

    Canaza-Cayo, Ali William; Lopes, Paulo Sávio; da Silva, Marcos Vinicius Gualberto Barbosa; de Almeida Torres, Robledo; Martins, Marta Fonseca; Arbex, Wagner Antonio; Cobuci, Jaime Araujo

    2015-01-01

    A total of 32,817 test-day milk yield (TDMY) records of the first lactation of 4,056 Girolando cows daughters of 276 sires, collected from 118 herds between 2000 and 2011 were utilized to estimate the genetic parameters for TDMY via random regression models (RRM) using Legendre’s polynomial functions whose orders varied from 3 to 5. In addition, nine measures of persistency in milk yield (PSi) and the genetic trend of 305-day milk yield (305MY) were evaluated. The fit quality criteria used indicated RRM employing the Legendre’s polynomial of orders 3 and 5 for fitting the genetic additive and permanent environment effects, respectively, as the best model. The heritability and genetic correlation for TDMY throughout the lactation, obtained with the best model, varied from 0.18 to 0.23 and from ?0.03 to 1.00, respectively. The heritability and genetic correlation for persistency and 305MY varied from 0.10 to 0.33 and from ?0.98 to 1.00, respectively. The use of PS7 would be the most suitable option for the evaluation of Girolando cattle. The estimated breeding values for 305MY of sires and cows showed significant and positive genetic trends. Thus, the use of selection indices would be indicated in the genetic evaluation of Girolando cattle for both traits. PMID:26323397

  7. Genetic Parameters for Milk Yield and Lactation Persistency Using Random Regression Models in Girolando Cattle.

    PubMed

    Canaza-Cayo, Ali William; Lopes, Paulo Sávio; da Silva, Marcos Vinicius Gualberto Barbosa; de Almeida Torres, Robledo; Martins, Marta Fonseca; Arbex, Wagner Antonio; Cobuci, Jaime Araujo

    2015-10-01

    A total of 32,817 test-day milk yield (TDMY) records of the first lactation of 4,056 Girolando cows daughters of 276 sires, collected from 118 herds between 2000 and 2011 were utilized to estimate the genetic parameters for TDMY via random regression models (RRM) using Legendre's polynomial functions whose orders varied from 3 to 5. In addition, nine measures of persistency in milk yield (PSi) and the genetic trend of 305-day milk yield (305MY) were evaluated. The fit quality criteria used indicated RRM employing the Legendre's polynomial of orders 3 and 5 for fitting the genetic additive and permanent environment effects, respectively, as the best model. The heritability and genetic correlation for TDMY throughout the lactation, obtained with the best model, varied from 0.18 to 0.23 and from -0.03 to 1.00, respectively. The heritability and genetic correlation for persistency and 305MY varied from 0.10 to 0.33 and from -0.98 to 1.00, respectively. The use of PS7 would be the most suitable option for the evaluation of Girolando cattle. The estimated breeding values for 305MY of sires and cows showed significant and positive genetic trends. Thus, the use of selection indices would be indicated in the genetic evaluation of Girolando cattle for both traits. PMID:26323397

  8. Characterisation of sugar cane straw waste as pozzolanic material for construction: Calcining temperature and kinetic parameters

    SciTech Connect

    Frias, Moises

    2007-07-01

    This paper reports on the influence of calcining temperature (800 and 1000 deg. C) on the pozzolanic activation of sugar cane straw (SCS). The reaction kinetics of SCS ash-lime mixtures were inferred from physicochemical characteristics (X-ray diffraction patterns and thermogravimetry analysis. The fitting of a kinetic-diffusive model to the experimental data (fixed lime versus time) allowed the computing of the kinetic parameters (reaction rate constant) of the pozzolanic reaction. Results obtained confirm that the sugar cane straw ash (SCSA) calcined at 800 and 1000 deg. C have properties indicative of very high pozzolanic activity. No influence of calcining temperature on the pozzolanic activity was observed. Also, no crystalline compounds during the pozzolanic reaction were identified up to 90 days of reaction. Environmental durability and strength of the consequential mortars remain to be assessed.

  9. Formation of gas-phase peptide ions and their dissociation in MALDI: insights from kinetic and ion yield studies.

    PubMed

    Moon, Jeong Hee; Yoon, Sohee; Bae, Yong Jin; Kim, Myung Soo

    2015-01-01

    Insights on mechanisms for the generation of gas-phase peptide ions and their dissociation in matrix-assisted laser desorption ionization (MALDI) gained from the kinetic and ion yield studies are presented. Even though the time-resolved photodissociation technique was initially used to determine the dissociation kinetics of peptide ions and their effective temperature, it was replaced by a simpler method utilizing dissociation yields from in-source decay (ISD) and post-source decay (PSD). The ion yields for a matrix and a peptide were measured by repeatedly irradiating a region on a sample and collecting ion signals until the sample in the region was completely depleted. Matrix- and peptide-derived gas-phase cations were found to be generated by pre-formed ion emission or by ion-pair emission followed by anion loss, but not by laser-induced ionization. The total number of ions, that is, matrix plus peptide, was found to be equal to the number of ions emitted from a pure matrix. A matrix plume was found to cool as it expanded, from around 800-1,000?K to 400-500?K. Dissociation of peptide ions along b/y channels was found to occur statistically, that is, following RRKM behavior. Small critical energy (E0 ?=?0.6-0.7?eV) and highly negative critical entropy (?S(‡) ?=?-30 to -25?eu) suggested that the transition structure was stabilized by multiple intramolecular interactions. PMID:24863621

  10. Effects of J couplings and unobservable minor states on kinetics parameters extracted from CEST data

    NASA Astrophysics Data System (ADS)

    Zhou, Yang; Yang, Daiwen

    2014-12-01

    Chemical exchange saturation transfer (CEST) experiments have emerged as a powerful tool for characterizing dynamics and sparse populated conformers of protein in slow exchanging systems. We show that J couplings and 'invisible' minor states can cause systematic errors in kinetics parameters and chemical shifts extracted from CEST data. For weakly coupled spin systems, the J coupling effect can be removed using an approximation method. This method is warranted through detailed theoretical derivation, supported by results from simulations and experiments on an acyl carrier protein domain. Simulations demonstrate that the effect of 'invisible' minor states on the extracted kinetics parameters depends on the chemical shifts, populations, exchange rates of the 'invisible' states to the observed major or minor state and exchange models. Moreover, the extracted chemical shifts of the observed minor state can also be influenced by the 'invisible' minor states. The presence of an off-pathway folding intermediate in the acyl carrier protein domain explains why the exchange rates obtained with a two-state model from individual residues that displayed only two obvious CEST dips varied significantly and the extracted exchange rates for 15N and 13CO spins located in the same peptide bond could be very different. The approximation method described here simplifies CEST data analysis in many situations where the coupling effect cannot be ignored and decoupling techniques are not desirable. In addition, this study also raises alerts for 'invisible' minor states which can cause errors in not only kinetics parameters but also chemical shifts of the observed minor state.

  11. Properties of Inelastic Yielding Zones Generated by In-plane1 Dynamic Ruptures: II. Detailed parameter-space study2

    E-print Network

    Ampuero, Jean Paul

    1 Properties of Inelastic Yielding Zones Generated by In-plane1 Dynamic Ruptures: II. Detailed parameter-space study on properties of yielding zones25 generated by 2D in-plane dynamic ruptures rupture35 speed and higher inclination angle of expected microfractures on the extensional36 side

  12. Alternative bio-based solvents for extraction of fat and oils: solubility prediction, global yield, extraction kinetics, chemical composition and cost of manufacturing.

    PubMed

    Sicaire, Anne-Gaëlle; Vian, Maryline; Fine, Frédéric; Joffre, Florent; Carré, Patrick; Tostain, Sylvain; Chemat, Farid

    2015-01-01

    The present study was designed to evaluate the performance of alternative bio-based solvents, more especially 2-methyltetrahydrofuran, obtained from crop's byproducts for the substitution of petroleum solvents such as hexane in the extraction of fat and oils for food (edible oil) and non-food (bio fuel) applications. First a solvent selection as well as an evaluation of the performance was made with Hansen Solubility Parameters and the COnductor-like Screening MOdel for Realistic Solvation (COSMO-RS) simulations. Experiments were performed on rapeseed oil extraction at laboratory and pilot plant scale for the determination of lipid yields, extraction kinetics, diffusion modeling, and complete lipid composition in term of fatty acids and micronutrients (sterols, tocopherols and tocotrienols). Finally, economic and energetic evaluations of the process were conducted to estimate the cost of manufacturing using 2-methyltetrahydrofuran (MeTHF) as alternative solvent compared to hexane as petroleum solvent. PMID:25884332

  13. Alternative Bio-Based Solvents for Extraction of Fat and Oils: Solubility Prediction, Global Yield, Extraction Kinetics, Chemical Composition and Cost of Manufacturing

    PubMed Central

    Sicaire, Anne-Gaëlle; Vian, Maryline; Fine, Frédéric; Joffre, Florent; Carré, Patrick; Tostain, Sylvain; Chemat, Farid

    2015-01-01

    The present study was designed to evaluate the performance of alternative bio-based solvents, more especially 2-methyltetrahydrofuran, obtained from crop’s byproducts for the substitution of petroleum solvents such as hexane in the extraction of fat and oils for food (edible oil) and non-food (bio fuel) applications. First a solvent selection as well as an evaluation of the performance was made with Hansen Solubility Parameters and the COnductor-like Screening MOdel for Realistic Solvation (COSMO-RS) simulations. Experiments were performed on rapeseed oil extraction at laboratory and pilot plant scale for the determination of lipid yields, extraction kinetics, diffusion modeling, and complete lipid composition in term of fatty acids and micronutrients (sterols, tocopherols and tocotrienols). Finally, economic and energetic evaluations of the process were conducted to estimate the cost of manufacturing using 2-methyltetrahydrofuran (MeTHF) as alternative solvent compared to hexane as petroleum solvent. PMID:25884332

  14. Reaction-kinetic parameters of glycidamide as determinants of mutagenic potency.

    PubMed

    Silvari, V; Haglund, J; Jenssen, D; Golding, B T; Ehrenberg, L; Törnqvist, M

    2005-02-01

    Values for reaction-kinetic parameters of electrophiles can be used to predict mutagenic potency. One approach employs the Swain-Scott relationship for comparative kinetic studies of electrophilic agents reacting with nucleophiles. In this way glycidamide (GA), the putatively mutagenic/carcinogenic metabolite of acrylamide, was assessed by determining the rates of reaction with different nucleophiles. The rate constants (kNu) were determined using the "supernucleophile" cob(I)alamin [Cbl(I)] as an analytical tool. The Swain-Scott parameters for GA were compared with those of ethylene oxide (EO). The substrate constants, s values, for GA and for EO were found to be 1.0 and 0.93, respectively. The reaction rates at low values of nucleophilic strength (n=1-3), corresponding to oxygens in DNA, were determined to be 2-3.5 times higher for GA compared to EO. GA was also more reactive than EO towards other nucleophiles (n=0-6.4). The mutagenic potency of GA was determined in Chinese hamster ovary cells (hprt mutations in CHO-AA8 cells per dose unit with gamma-radiation as reference standard). The potency of GA was estimated to be about three mutations per 10(5) cells and mMh corresponding to about 40 rad-equ./mMh. A preliminary comparison of the mutagenic potency (per mMh and as rad-equivalents) of GA and EO shows an approximately seven times higher potency for GA. A higher mutagenic potency of GA compared to EO is compatible with expectation from reaction-kinetic data of the two compounds. The data confirmed that GA is not a strong mutagen, which is in line with what is expected for simple oxiranes. The present study shows the value of cob(I)alamin for the determination of reaction-kinetic parameters and their use for prediction of mutagenic potency. PMID:15668111

  15. Enhanced heat stability and kinetic parameters of maize endosperm ADPglucose pyrophosphorylase by alteration of phylogenetically identified amino acids.

    PubMed

    Boehlein, Susan K; Shaw, Janine R; Georgelis, Nikolaos; Hannah, L Curtis

    2014-02-01

    ADP-glucose pyrophosphorylase (AGPase) controls the rate-limiting step in starch biosynthesis and is regulated at various levels. Cereal endosperm enzymes, in contrast to other plant AGPases, are particularly heat labile and transgenic studies highlight the importance of temperature for cereal yield. Previously, a phylogenetic approach identified Type II and positively selected amino acid positions in the large subunit of maize endosperm AGPase. Glycogen content, kinetic parameters and heat stability were measured in AGPases having mutations in these sites and interesting differences were observed. This study expands on our earlier evolutionary work by determining how all Type II and positively selected sites affect kinetic constants, heat stability and catalytic rates at increased temperatures. Variants with enhanced properties were identified and combined into one gene, designated Sh2-E. Enhanced properties include: heat stability, enhanced activity at 37 °C, activity at 55 °C, reduced Ka and activity in the absence of activator. The resulting enzyme exhibited all improved properties of the various individual changes. Additionally, Sh2-E was expressed with a small subunit variant with enhanced enzyme properties resulting in an enzyme that has exceptional heat stability, a high catalytic rate at increased temperatures and significantly decreased Km values for both substrates in the absence of the activator. PMID:24378757

  16. Determination of thermoluminescence kinetic parameters of terbium-doped zirconium oxide

    NASA Astrophysics Data System (ADS)

    Rivera, T.; Azorín, J.; Falcony, C.; Martínez, E.; García, M.

    2001-06-01

    In recent years considerable importance has been attached to zirconium oxide doped with rare earth (ZrO 2 : RE) thin films due to their desirable characteristics for use in UV dosimetry. In our laboratories we have developed a method to prepare ZrO 2 : RE thin films. Dosimetric characteristics of these materials have been reported previously (Azorin et al., Radiat. Meas. 29 (1998) 315; Radiat. Prot. Dosim. 85 (1999) 317) and results of these have stimulated continued development and analysis of the thermoluminescence mechanism. Two important parameters to be determined in TL studies are the activation energy ( E) and the frequency factor ( s). This paper presents the results of determining kinetic parameters of terbium-doped zirconium oxide (ZrO 2 : Tb) thin films, exposed to 260 nm UV light, using the Lushchik (Sov. Phys. JETF 3 (1956) 390) and Chen (J. Appl. Phys. 40 (1969) 570; J. Electrochem. Soc. 166 (1969) 1254) methods. Kinetic analysis of the glow curve shows second order kinetics for both the first and second glow peaks.

  17. Thermoluminescence kinetic parameters of different amount La-doped ZnB?O?.

    PubMed

    Kucuk, Nil; Gozel, Aziz Halit; Yüksel, Mehmet; Dogan, Tamer; Topaksu, Mustafa

    2015-10-01

    The kinetic parameters of 1%, 2%, 3% and 4% La-doped ZnB2O4 phosphors (i.e. ZnB2O4:0.01La, ZnB2O4:0.02La, ZnB2O4:0.03La and ZnB2O4:0.04La) synthesized by nitric acid method have been calculated. Thermoluminescence (TL) glow curves of ZnB2O4:La phosphors after beta-irradiation showed a very well defined main peak having the maximum temperature at around 200°C and a shoulder peak at around 315°C with a constant heating rate of 5°C/s. The kinetic parameters of ZnB2O4:La phosphors TL glow peaks (i.e. order of kinetics (b), activation energies (Ea) and frequency factors (s)) have been determined and evaluated by Computerized Glow Curve Deconvolution (CGCD), and Peak Shape (PS) methods using the glow curve data. From the results, it can conclude that the values of Ea obtained with these methods for ZnB2O4:La phosphors are consistent with each other, but the s values differ considerably. PMID:26186155

  18. Optimization of kinetic parameters for the degradation of plasmid DNA in rat plasma

    NASA Astrophysics Data System (ADS)

    Chaudhry, Q. A.

    2014-12-01

    Biotechnology is a rapidly growing area of research work in the field of pharmaceutical sciences. The study of pharmacokinetics of plasmid DNA (pDNA) is an important area of research work. It has been observed that the process of gene delivery faces many troubles on the transport of pDNA towards their target sites. The topoforms of pDNA has been termed as super coiled (S-C), open circular (O-C) and linear (L), the kinetic model of which will be presented in this paper. The kinetic model gives rise to system of ordinary differential equations (ODEs), the exact solution of which has been found. The kinetic parameters, which are responsible for the degradation of super coiled, and the formation of open circular and linear topoforms have a great significance not only in vitro but for modeling of further processes as well, therefore need to be addressed in great detail. For this purpose, global optimization techniques have been adopted, thus finding the optimal results for the said model. The results of the model, while using the optimal parameters, were compared against the measured data, which gives a nice agreement.

  19. Parameter inference for discretely observed stochastic kinetic models using stochastic gradient descent

    PubMed Central

    2010-01-01

    Background Stochastic effects can be important for the behavior of processes involving small population numbers, so the study of stochastic models has become an important topic in the burgeoning field of computational systems biology. However analysis techniques for stochastic models have tended to lag behind their deterministic cousins due to the heavier computational demands of the statistical approaches for fitting the models to experimental data. There is a continuing need for more effective and efficient algorithms. In this article we focus on the parameter inference problem for stochastic kinetic models of biochemical reactions given discrete time-course observations of either some or all of the molecular species. Results We propose an algorithm for inference of kinetic rate parameters based upon maximum likelihood using stochastic gradient descent (SGD). We derive a general formula for the gradient of the likelihood function given discrete time-course observations. The formula applies to any explicit functional form of the kinetic rate laws such as mass-action, Michaelis-Menten, etc. Our algorithm estimates the gradient of the likelihood function by reversible jump Markov chain Monte Carlo sampling (RJMCMC), and then gradient descent method is employed to obtain the maximum likelihood estimation of parameter values. Furthermore, we utilize flux balance analysis and show how to automatically construct reversible jump samplers for arbitrary biochemical reaction models. We provide RJMCMC sampling algorithms for both fully observed and partially observed time-course observation data. Our methods are illustrated with two examples: a birth-death model and an auto-regulatory gene network. We find good agreement of the inferred parameters with the actual parameters in both models. Conclusions The SGD method proposed in the paper presents a general framework of inferring parameters for stochastic kinetic models. The method is computationally efficient and is effective for both partially and fully observed systems. Automatic construction of reversible jump samplers and general formulation of the likelihood gradient function makes our method applicable to a wide range of stochastic models. Furthermore our derivations can be useful for other purposes such as using the gradient information for parametric sensitivity analysis or using the reversible jump samplers for full Bayesian inference. The software implementing the algorithms is publicly available at http://cbcl.ics.uci.edu/sgd PMID:20663171

  20. Different singularities in the functions of extended kinetic theory at the origin of the yield stress in granular flows

    SciTech Connect

    Berzi, Diego; Vescovi, Dalila

    2015-01-15

    We use previous results from discrete element simulations of simple shear flows of rigid, identical spheres in the collisional regime to show that the volume fraction-dependence of the stresses is singular at the shear rigidity. Here, we identify the shear rigidity, which is a decreasing function of the interparticle friction, as the maximum volume fraction beyond which a random collisional assembly of grains cannot be sheared without developing force chains that span the entire domain. In the framework of extended kinetic theory, i.e., kinetic theory that accounts for the decreasing in the collisional dissipation due to the breaking of molecular chaos at volume fractions larger than 0.49, we also show that the volume fraction-dependence of the correlation length (measure of the velocity correlation) is singular at random close packing, independent of the interparticle friction. The difference in the singularities ensures that the ratio of the shear stress to the pressure at shear rigidity is different from zero even in the case of frictionless spheres: we identify that with the yield stress ratio of granular materials, and we show that the theoretical predictions, once the different singularities are inserted into the functions of extended kinetic theory, are in excellent agreement with the results of numerical simulations.

  1. Quantitative genetic parameters for yield, plant growth and cone chemical traits in hop (Humulus lupulus L.)

    PubMed Central

    2014-01-01

    Background Most traits targeted in the genetic improvement of hop are quantitative in nature. Improvement based on selection of these traits requires a comprehensive understanding of their inheritance. This study estimated quantitative genetic parameters for 20 traits related to three key objectives for the genetic improvement of hop: cone chemistry, cone yield and agronomic characteristics. Results Significant heritable genetic variation was identified for ?-acid and ?-acid, as well as their components and relative proportions. Estimates of narrow-sense heritability for these traits (h 2 ?=?0.15 to 0.29) were lower than those reported in previous hop studies, but were based on a broader suite of families (108 from European, North American and hybrid origins). Narrow-sense heritabilities are reported for hop growth traits for the first time (h 2 ?=?0.04 to 0.20), relating to important agronomic characteristics such as emergence, height and lateral morphology. Cone chemistry and growth traits were significantly genetically correlated, such that families with more vigorous vegetative growth were associated with lower ?-acid and ?-acid levels. This trend may reflect the underlying population structure of founder genotypes (European and North American origins) as well as past selection in the Australian environment. Although male and female hop plants are thought to be indistinguishable until flowering, sex was found to influence variation in many growth traits, with male and female plants displaying differences in vegetative morphology from emergence to cone maturity. Conclusions This study reveals important insights into the genetic control of quantitative hop traits. The information gained will provide hop breeders with a greater understanding of the additive genetic factors which affect selection of cone chemistry, yield and agronomic characteristics in hop, aiding in the future development of improved cultivars. PMID:24524684

  2. A BAYESIAN METHOD OF ESTIMATING KINETIC PARAMETERS FOR THE INACTIVATION OF CRYPTOSPORIDIUM PARVUM OOCYSTS WITH CHLORINE DIOXIDE AND OZONE

    EPA Science Inventory

    The main objective of this paper is to use Bayesian methods to estimate the kinetic parameters for the inactivation kinetics of Cryptosporidium parvum oocysts with chlorine dioxide or ozone which are characterized by the delayed Chick-Watson model, i.e., a lag phase or shoulder f...

  3. Associations of fiber quality parameters and lint yield components in six diverse cotton genotypes 

    E-print Network

    Golladay, Gwendolyn Kay

    1993-01-01

    High yielding cotton, Gossypium hirsutum L., cultivars with improved fiber bundle strength are needed for today's spinning technology. This study was initiated to determine the effects of selection for improved fiber quality on within-boll yield...

  4. Applicability of fluorescence-based sensors to the determination of kinetic parameters for O? in oxygenases.

    PubMed

    Di Russo, Natali V; Bruner, Steven D; Roitberg, Adrian E

    2015-04-15

    Optical methods for O2 determination based on dynamic fluorescence quenching have been applied to measure oxygen uptake rates in cell culture and to determine intracellular oxygen levels. Here we demonstrate the applicability of fluorescence-based probes in determining kinetic parameters for O2 using as an example catalysis by a cofactor-independent oxygenase (DpgC). Fluorescence-based sensors provide a direct assessment of enzyme-catalyzed O2 consumption using commercially available, low-cost instrumentation that is easily customizable and, thus, constitutes a convenient alternative to the widely used Clark-type electrode, especially in cases where chemical interference is expected to be problematic. PMID:25637681

  5. Calculating kinetics parameters and reactivity changes with continuous-energy Monte Carlo

    SciTech Connect

    Kiedrowski, Brian C; Brown, Forrest B; Wilson, Paul

    2009-01-01

    The iterated fission probability interpretation of the adjoint flux forms the basis for a method to perform adjoint weighting of tally scores in continuous-energy Monte Carlo k-eigenvalue calculations. Applying this approach, adjoint-weighted tallies are developed for two applications: calculating point reactor kinetics parameters and estimating changes in reactivity from perturbations. Calculations are performed in the widely-used production code, MCNP, and the results of both applications are compared with discrete ordinates calculations, experimental measurements, and other Monte Carlo calculations.

  6. Parameter Identification and On-line Estimation of a Reduced Kinetic Model

    SciTech Connect

    Dellorco, P.C.; Flesner, R.L.; Le, L.A.; Littell, J.D.; Muske, K.R.

    1999-02-01

    In this work, we present the estimation techniques used to update the model parameters in a reduced kinetic model describing the oxidation-reduction re- actions in a hydrothermal oxidation reactor. The model is used in a nonlinear model-based controller that minimizes the total aqueous nitrogen in the reac- tor effluent. Model reduction is accomplished by com- bining similar reacting compounds into one of four component groups and considering the global reac- tion pathways for each of these groups. The reduced kinetic model developed for thk reaction system pro- vides a means to characterize the complex chemical reaction system without considering each chemicaJ species present and the reaction kinetics of every pos- sible reaction pathway. For the reaction system under study, model reduction is essential in order to reduce the computational requirement so that on-line imple- mentation of the nonlinear model-based controller is possible and also to reduce the amount of a priori information required for the model.

  7. The photocycle of the chloride pump halorhodopsin. II: Quantum yields and a kinetic model.

    PubMed

    Oesterhelt, D; Hegemann, P; Tittor, J

    1985-09-01

    The quantum yield of the primary photoreaction of HR478 was determined as phi(green) = 0.34 +/- 0.02 and that of the photochemical reconversion of HRL410 into HR578 as phi(blue) = 0.01 +/- 0.004. From steady-state illumination and flash-photolysis experiments, a quantitative description of HRL410 formation and decay was made leading to a model of the photocycle in isolated, light-adapted HR. This model satisfies all known facts about HR including its photochronic behaviour. PMID:15938054

  8. Determination of kinetic parameters specific for a given source rock: optim method

    SciTech Connect

    Ungerer, P.; Chenet, P.

    1987-05-01

    The OPTIM method consists of processing pyrolysis data in order to obtain an optimized set of kinetic parameters which account for the kinetics of hydrocarbon formation from the specific source rock considered. The basic principles of the underlying kinetic model are the same as the Tissot and Espitalie model, in which the number of parallel reactions has been increased. The first way to use the OPTIM program is to use Rock-Eval pyrolysis data from a unique immature kerogen sample at various heating rates. Additional data obtained from autoclave pyrolysis may be integrated optionally. This way is particularly adapted to early stages of basin exploration, when the source rock is already identified but not sampled in the oil formation zone. As shown in case where the predictions could be checked against well data, the model optimized by this way is applicable to natural conditions with a reasonable accuracy. The second way to use the program is to integrate pyrolysis data from several immature and mature samples of the type considered, together with the thermal history of each sample. Such a use of the program is possible only when the basin is already well explored and when the paleotemperatures do not suffer high uncertainties. The advantage of the method is then to account explicitly for the natural maturation process. Several application examples are presented which show very important differences of behavior between various source rocks, from a kinetic as well as from a quantitative viewpoint. Their method provides the industry with an operational and relatively rapid tool in order to account for these differences.

  9. Parameters and kinetics of olive mill wastewater dephenolization by immobilized Rhodotorula glutinis cells.

    PubMed

    Bozkoyunlu, Gaye; Takaç, Serpil

    2014-01-01

    Olive mill wastewater (OMW) with total phenol (TP) concentration range of 300-1200 mg/L was treated with alginate-immobilized Rhodotorula glutinis cells in batch system. The effects of pellet properties (diameter, alginate concentration and cell loading (CL)) and operational parameters (initial TP concentration, agitation rate and reusability of pellets) on dephenolization of OMW were studied. Up to 87% dephenolization was obtained after 120 h biodegradations. The utilization number of pellets increased with the addition of calcium ions into the biodegradation medium. The overall effectiveness factors calculated for different conditions showed that diffusional limitations arising from pellet size and pellet composition could be neglected. Mass transfer limitations appeared to be more effective at high substrate concentrations and low agitation rates. The parameters of logistic model for growth kinetics of R. glutinis in OMW were estimated at different initial phenol concentrations of OMW by curve-fitting of experimental data with the model. PMID:25244135

  10. Kinetic parameters of the conversion of methane precursors to methane in a hypereutrophic lake sediment.

    PubMed

    Strayer, R F; Tiedje, J M

    1978-08-01

    The kinetic parameters K(m), V(max), T(t) (turnover time), and v (natural velocity) were determined for H(2) and acetate conversion to methane by Wintergreen Lake sediment, using short-term (a few hours) methods and incubation temperatures of 10 to 14 degrees C. Estimates of the Michaelis-Menten constant, K(m), for both the consumption of hydrogen and the conversion of hydrogen to methane by sediment microflora averaged about 0.024 mumol g of dry sediment. The maximal velocity, V(max), averaged 4.8 mumol of H(2) g h for hydrogen consumption and 0.64 mumol of CH(4) g h for the conversion of hydrogen to methane during the winter. Estimated natural rates of hydrogen consumption and hydrogen conversion to methane could be calculated from the Michaelis-Menten equation and estimates of K(m), V(max), and the in situ dissolved-hydrogen concentration. These results indicate that methane may not be the only fate of hydrogen in the sediment. Among several potential hydrogen donors tested, only formate stimulated the rate of sediment methanogenesis. Formate conversion to methane was so rapid that an accurate estimate of kinetic parameters was not possible. Kinetic experiments using [2-C]acetate and sediments collected in the summer indicated that acetate was being converted to methane at or near the maximal rate. A minimum natural rate of acetate conversion to methane was estimated to be about 110 nmol of CH(4) g h, which was 66% of the V(max) (163 nmol of CH(4) g h). A 15-min preincubation of sediment with 5.0 x 10 atm of hydrogen had a pronounced effect on the kinetic parameters for the conversion of acetate to methane. The acetate pool size, expressed as the term K(m) + S(n) (S(n) is in situ substrate concentration), decreased by 37% and T(t) decreased by 43%. The V(max) remained relatively constant. A preincubation with hydrogen also caused a 37% decrease in the amount of labeled carbon dioxide produced from the metabolism of [U-C]valine by sediment heterotrophs. PMID:16345312

  11. Chemical kinetics parameters and model validation for the gasification of PCEA nuclear graphite

    SciTech Connect

    El-Genk, Mohamed S; Tournier, Jean-Michel; Contescu, Cristian I

    2014-01-01

    A series of gasification experiments, using two right cylinder specimens (~ 12.7 x 25.4 mm and 25.4 x 25.4 mm) of PCEA nuclear graphite in ambient airflow, measured the total gasification flux at weight losses up to 41.5% and temperatures (893-1015 K) characteristics of those for in-pores gasification Mode (a) and in-pores diffusion-limited Mode (b). The chemical kinetics parameters for the gasification of PCEA graphite are determined using a multi-parameters optimization algorithm from the measurements of the total gasification rate and transient weight loss in experiments. These parameters are: (i) the pre-exponential rate coefficients and the Gaussian distributions and values of specific activation energies for adsorption of oxygen and desorption of CO gas; (ii) the specific activation energy and pre-exponential rate coefficient for the breakup of stable un-dissociated C(O2) oxygen radicals to form stable (CO) complexes; (iii) the specific activation energy and pre-exponential coefficient for desorption of CO2 gas and; (iv) the initial surface area of reactive free sites per unit mass. This area is consistently 13.5% higher than that for nuclear graphite grades of NBG-25 and IG-110 and decreases inversely proportional with the square root of the initial mass of the graphite specimens in the experiments. Experimental measurements successfully validate the chemical-reactions kinetics model that calculates continuous Arrhenius curves of the total gasification flux and the production rates of CO and CO2 gases. The model results at different total weight losses agree well with measurements and expand beyond the temperatures in the experiments to the diffusion-limited mode of gasification. Also calculated are the production rates of CO and CO2 gases and their relative contributions to the total gasification rate in the experiments as functions of temperature, for total weight losses of 5% and 10%.

  12. The role of test parameters on the kinetics and thermodynamics of glass leaching. [None

    SciTech Connect

    Jantzen, C M

    1988-01-01

    The relative durabilities of nuclear waste, natural, and ancient glasses have been assessed by standard laboratory leach tests. Different test conditions result in different glass surface areas (SA), leachant volumes (V), and test durations (t). Leachate concentrations are known to be a parabolic function of the kinetic test parameter SAV/center dot/t. Based on durability experiments of glass monoliths at low (SAV)/center dot/ glass durability has been shown to be a logarithmic function of the thermodynamic hydration free energy, ..delta..G/sub hyd/. The thermodynamic hydration free energy, ..delta..G/sub hyd/, can be calculated from glass composition and solution pH. In the repository environment high effective glass surface areas to solution volume ratios may occur as a result of slow groundwater flow rates. The application of hydration thermodynamics to crushed glass, high (SAV)/center dot/t, durability tests has been demonstrated. The relative contributions of the kinetic test parameters, (SAV)/center dot/t, and the thermodynamic parameter, ..delta..G/sub hyd/, have been shown to define a plane in ..delta..G/sub hyd/-concentration-(SAV)/center dot/t space. At constant test conditions, e.g. constant (SAV/center dot/t, the intersection with this surface indicates that all /delta G//sub hyd/-concentration plots should have similar slopes and predict the same relative durabilities for various glasses as a function of glass composition. Using this approach, the durability of nuclear waste glasses has been interpolated to be -- 10/sup 6/ years and no less than 10/sup 3/ years. 28 refs., 24 figs.

  13. {sup 82}Rb kinetic parameter variability due to depth of anesthesia in the anesthetized canine

    SciTech Connect

    Coxson, P.G.; Brennan, K.M.; Yang, L.

    1995-05-01

    The effect of {open_quotes}depth of anesthesia{close_quotes} on {sup 82}Rb kinetic parameter estimates in the myocardium was tested in a series of replicated studies on six dogs using the Donner 600-Crystal Positron Tomograph. A single lateral slice through the myocardium was imaged following each of four successive injections of {sup 82}Rb. For three of the injections the animals were lightly anesthetized (mean blood pressure about 90 mmHg). For the second injection, the amount of anesthetic was increased until blood pressure dipped to about 70 mHg. The fourth injection was preceded by an infusion of dipyridamole to induce a stress-state. The entire sequence was repeated at least twice with each of the six animals. A two compartment model with parameters k{sub 1} (uptake rate), k{sub 2} (wash-out rate), and f{sub v} (vascular fraction) was fit to the data. There was a consistent finding of a 20% to 30% decrease in k{sub 1} during the deeply anesthetized state compared with the two lightly anesthetized rest states. Analysis of variance showed that the difference observed is significant, though small in comparison with the difference between the rest and stress states (60% to 160% increase). The difference between the two lightly anesthetized states was not significant. Kinetic PET studies using dogs are routinely carried out with the animal anesthetized. Depth of anesthesia has been suspected as as source of variability in parameter estimates, but this conjecture has not previously been systematically investigated. These studies at extremes in the depth of anesthesia show a small but predictable effect on the uptake k{sub 1} of {sup 82}Rb.

  14. Kinetics of the reaction OH + HO2 yields H2O + O2 at 296 K

    NASA Technical Reports Server (NTRS)

    Sridharan, U. C.; Kaufman, F.; Qiu, L. X.

    1981-01-01

    The rate constant of the title reaction was measured in a discharge-flow reactor by addition of excess HO2 from a movable double injector to a gas stream containing small concentrations of OH. The concentration of OH was measured by laser-induced fluorescence, HO2 by conversion to OH, and H and O by vacuum-UV resonance fluorescence. Five sets of experiments, each with different excess concentration of HO2, gave an average rate constant of (7.5 + or - 1.2) x 10 to the -11th cu cm/s where the error limits (single sigma) include uncertainties of all experimental parameters. This result is compared with other findings and is discussed in terms of its importance in stratospheric chemistry and in rate theory.

  15. Aqueous oxidation of green leaf volatiles by hydroxyl radical as a source of SOA: Kinetics and SOA yields

    NASA Astrophysics Data System (ADS)

    Richards-Henderson, Nicole K.; Hansel, Amie K.; Valsaraj, Kalliat T.; Anastasio, Cort

    2014-10-01

    Green leaf volatiles (GLVs) are a class of oxygenated hydrocarbons released from vegetation, especially during mechanical stress or damage. The potential for GLVs to form secondary organic aerosol (SOA) via aqueous-phase reactions is not known. Fog events over vegetation will lead to the uptake of GLVs into water droplets, followed by aqueous-phase reactions with photooxidants such as the hydroxyl radical (OH). In order to determine if the aqueous oxidation of GLVs by OH can be a significant source of secondary organic aerosol, we studied the partitioning and reaction of five GLVs: cis-3-hexen-1-ol, cis-3-hexenyl acetate, methyl salicylate, methyl jasmonate, and 2-methyl-3-butene-2-ol. For each GLV we measured the kinetics of aqueous oxidation by OH, and the corresponding SOA mass yield. The second-order rate constants for GLVs with OH were all near diffusion controlled, (5.4-8.6) × 109 M-1 s-1 at 298 K, and showed a small temperature dependence, with an average activation energy of 9.3 kJ mol-1 Aqueous-phase SOA mass yields ranged from 10 to 88%, although some of the smaller values were not statistically different from zero. Methyl jasmonate was the most effective aqueous-phase SOA precursor due to its larger Henry's law constant and high SOA mass yield (68 ± 8%). While we calculate that the aqueous-phase SOA formation from the five GLVs is a minor source of aqueous-phase SOA, the availability of other GLVs, other oxidants, and interfacial reactions suggest that GLVs overall might be a significant source of SOA via aqueous reactions.

  16. Steady-state and transient Zener parameters in viscoplasticity: Drag strength versus yield strength

    NASA Technical Reports Server (NTRS)

    Freed, A. D.; Walker, K. P.

    1990-01-01

    A hypothesis is put forth which enables the viscoplastician to formulate a theory of viscoplasticity that reduces, in closed form, to the classical theory of creep. This hypothesis is applied to a variety of drag and yield strength models. Because of two theoretical restrictions that are a consequence of this hypothesis, three different yield strength models and one drag strength model are shown to be theoretically admissible. One of these yield strength models is selected as being the most appropriate representation for isotropic hardening.

  17. Characterization of nicotinamidases: steady state kinetic parameters, classwide inhibition by nicotinaldehydes, and catalytic mechanism.

    PubMed

    French, Jarrod B; Cen, Yana; Vrablik, Tracy L; Xu, Ping; Allen, Eleanor; Hanna-Rose, Wendy; Sauve, Anthony A

    2010-12-14

    Nicotinamidases are metabolic enzymes that hydrolyze nicotinamide to nicotinic acid. These enzymes are widely distributed across biology, with examples found encoded in the genomes of Mycobacteria, Archaea, Eubacteria, Protozoa, yeast, and invertebrates, but there are none found in mammals. Although recent structural work has improved our understanding of these enzymes, their catalytic mechanism is still not well understood. Recent data show that nicotinamidases are required for the growth and virulence of several pathogenic microbes. The enzymes of Saccharomyces cerevisiae, Drosophila melanogaster, and Caenorhabditis elegans regulate life span in their respective organisms, consistent with proposed roles in the regulation of NAD(+) metabolism and organismal aging. In this work, the steady state kinetic parameters of nicotinamidase enzymes from C. elegans, Sa. cerevisiae, Streptococcus pneumoniae (a pathogen responsible for human pneumonia), Borrelia burgdorferi (the pathogen that causes Lyme disease), and Plasmodium falciparum (responsible for most human malaria) are reported. Nicotinamidases are generally efficient catalysts with steady state k(cat) values typically exceeding 1 s(-1). The K(m) values for nicotinamide are low and in the range of 2 -110 ?M. Nicotinaldehyde was determined to be a potent competitive inhibitor of these enzymes, binding in the low micromolar to low nanomolar range for all nicotinamidases tested. A variety of nicotinaldehyde derivatives were synthesized and evaluated as inhibitors in kinetic assays. Inhibitions are consistent with reaction of the universally conserved catalytic Cys on each enzyme with the aldehyde carbonyl carbon to form a thiohemiacetal complex that is stabilized by a conserved oxyanion hole. The S. pneumoniae nicotinamidase can catalyze exchange of (18)O into the carboxy oxygens of nicotinic acid with H(2)(18)O. The collected data, along with kinetic analysis of several mutants, allowed us to propose a catalytic mechanism that explains nicotinamidase and nicotinic acid (18)O exchange chemistry for the S. pneumoniae enzyme involving key catalytic residues, a catalytic transition metal ion, and the intermediacy of a thioester intermediate. PMID:20979384

  18. ESTIMATES OF GENETIC PARAMETERS FOR FIRST LACTATION TEST-DAY YIELDS OF HOLSTEIN COWS WITH A CUBIC SPLINE MODEL

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The objective was to estimate genetic parameters for individual test-day milk, fat, and protein yields with a cubic spline model. A total of 196,687 test-day records in the first 305-d of 38,172 first lactation Holstein cows that calved between 1994 and early 1999 were obtained from Dairy Records Ma...

  19. Estimates of genetic parameters for Holstein cows for test-day yield traits with a random regression cubic spline model

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Genetic parameters were estimated with REML for individual test-day milk, fat, and protein yields and SCS with a random regression cubic spline model. Test-day records of Holstein cows that calved from 1994 through early 1999 were obtained from Dairy Records Management Systems in Raleigh, North Car...

  20. Determination of kinetic parameters of Phlomis bovei de Noé using thermogravimetric analysis.

    PubMed

    Yahiaoui, Meriem; Hadoun, Hocine; Toumert, Idir; Hassani, Aicha

    2015-11-01

    This paper reports the pyrolysis study of Phlomis bovei biomass by thermogravimetric experiments in order to determine the thermal degradation behavior and kinetic parameters. The weight losses were found to occur in three stages. In the DTG thermograms, an increase of the heating rate tended to delay thermal degradation processes towards higher temperatures. The average values of activation energy and pre-exponential factor calculated from Ozawa-Flynn-Wall, Kissinger-Akahira-Sunose and Kissinger methods are 134.83, 134.06, 223.31kJ/mol and 4.1610(13), 1.1810(10), 2.8110(11)/s, respectively. The three-pseudo-component method shows that the activation energy increases with increasing the heating rate for hemicellulose and cellulose while the activation energy of the lignin decreased with an increase of the heating rate. Predicted results and experimental data exhibit similar tendencies and the three pseudo-components model with n different from unity 1 is recommended as the most suitable for prediction of kinetic behavior of Phlomis bovei de Noé. PMID:26276095

  1. Kinetic parameters of lithium and aluminium doped quartz from thermoluminescence glow curves.

    PubMed

    Gómez-Ros, J M; Correcher, V; García-Guinea, J; Delgado, A

    2002-01-01

    The thermoluminescence (TL) glow curves of irradiated annealed and non-annealed synthetic beta-quartz (Li0.73Al0.73Si1.27O4) synthesised using the ceramic method have been studied. Annealed samples (1200 degrees C for 12 h) exhibit some changes of shape and intensity in the TL glow curves when compared to non-annealed samples in the range of 0.1-5 Gy. These changes can be attributed mainly to thermal alkali self-diffusion through the lattice interfaces involving modifications in the components of the luminescent traps. In non-annealed samples six groups of components at about 100 degrees C, 130 degrees C, 160 degrees C, 210 degrees C, 330 degrees C and 450 degrees C can be found, whereas annealed samples only display one very intense peak at a lower temperature (deconvoluted into three peaks at 90 degrees C, 105 degrees C and 130 degrees C) and a lower intensity second wide broad emission at approximately 240 degrees C. In this paper, a computerised curve-fitting based on general order kinetics has been used to characterise the glow curve structure resolving trapping parameters for each glow peak: trap depth (E), frequency factor (s) and the order of the kinetics (b). The dose dependence of the individual components of the glow curve has been also studied. These data allow us to select the most stable component for use in dosimetric purposes. PMID:12382907

  2. Synergistic improvement of gas sensing performance by micro-gravimetrically extracted kinetic/thermodynamic parameters.

    PubMed

    Guo, Shuanbao; Xu, Pengcheng; Yu, Haitao; Cheng, Zhenxing; Li, Xinxin

    2015-03-10

    A novel method is explored for comprehensive design/optimization of organophosphorus sensing material, which is loaded on mass-type microcantilever sensor. Conventionally, by directly observing the gas sensing response, it is difficult to build quantitative relationship with the intrinsic structure of the material. To break through this difficulty, resonant cantilever is employed as gravimetric tool to implement molecule adsorption experiment. Based on the sensing data, key kinetic/thermodynamic parameters of the material to the molecule, including adsorption heat -?H°, adsorption/desorption rate constants Ka and Kd, active-site number per unit mass N' and surface coverage ?, can be quantitatively extracted according to physical-chemistry theories. With gaseous DMMP (simulant of organophosphorus agents) as sensing target, the optimization route for three sensing materials is successfully demonstrated. Firstly, a hyper-branched polymer is evaluated. Though suffering low sensitivity due to insufficient N', the bis(4-hydroxyphenyl)-hexafluoropropane (BHPF) sensing-group exhibits satisfactory reproducibility due to appropriate -?H°. To achieve more sensing-sites, KIT-5 mesoporous-silica with higher surface-area is assessed, resulting in good sensitivity but too high -?H° that brings poor repeatability. After comprehensive consideration, the confirmed BHPF sensing-group is grafted on the KIT-5 carrier to form an optimized DMMP sensing nanomaterial. Experimental results indicate that, featuring appropriate kinetic/thermodynamic parameters of -?H°, Ka, Kd, N' and ?, the BHPF-functionalized KIT-5 mesoporous silica exhibits synergistic improvement among reproducibility, sensitivity and response/recovery speed. The optimized material shows complete signal recovery, 55% sensitivity improvement than the hyper-branched polymer and 2?3 folds faster response/recovery speed than the KIT-5 mesoporous silica. PMID:25732312

  3. Interactions of viruses in Cowpea: effects on growth and yield parameters

    PubMed Central

    Kareem, KT; Taiwo, MA

    2007-01-01

    The study was carried out to investigate the effects of inoculating three cowpea cultivars: "OLO II", "OLOYIN" and IT86D-719 with three unrelated viruses: Cowpea aphid-borne mosaic virus (CABMV), genus Potyvirus, Cowpea mottle virus (CMeV), genus Carmovirus and Southern bean mosaic virus (SBMV), genus Sobemovirus singly and in mixture on growth and yield of cultivars at 10 and 30 days after planting (DAP). Generally, the growth and yield of the buffer inoculated control plants were significantly higher than those of the virus inoculated plants. Inoculation of plants at an early age of 10 DAP resulted in more severe effect than inoculations at a later stage of 30 DAP. The average values of plant height and number of leaves produced by plants inoculated 30 DAP were higher than those produced by plants inoculated 10 DAP. Most of the plants inoculated 10 DAP died and did not produce seeds. However, " OLOYIN" cultivar was most tolerant and produced reasonable yields when infected 30 DAP. The effect of single viruses on growth and yield of cultivars showed that CABMV caused more severe effects in IT86D-719, SBMV had the greatest effect on "OLO II" while CMeV induced the greatest effect on "OLOYIN". Yield was greatly reduced in double infections involving CABMV in combination with either CMeV or SBMV in "OLOYIN" and "OLO II", however, there was complete loss in yield of IT86D-719. Triple infection led to complete yield loss in all the three cultivars. PMID:17286870

  4. Estimating kinetic parameter maps from dynamic contrast-enhanced MRI using spatial prior knowledge.

    PubMed

    Kelm, Bernd Michael; Menze, Bjoern H; Nix, Oliver; Zechmann, Christian M; Hamprecht, Fred A

    2009-10-01

    Dynamic contrast-enhanced magnetic resonance (DCE-MR) imaging can be used to study microvascular structure in vivo by monitoring the abundance of an injected diffusible contrast agent over time. The resulting spatially resolved intensity-time curves are usually interpreted in terms of kinetic parameters obtained by fitting a pharmacokinetic model to the observed data. Least squares estimates of the highly nonlinear model parameters, however, can exhibit high variance and can be severely biased. As a remedy, we bring to bear spatial prior knowledge by means of a generalized Gaussian Markov random field (GGMRF). By using information from neighboring voxels and computing the maximum a posteriori solution for entire parameter maps at once, both bias and variance of the parameter estimates can be reduced thus leading to smaller root mean square error (RMSE). Since the number of variables gets very big for common image resolutions, sparse solvers have to be employed. To this end, we propose a generalized iterated conditional modes (ICM) algorithm operating on blocks instead of sites which is shown to converge considerably faster than the conventional ICM algorithm. Results on simulated DCE-MR images show a clear reduction of RMSE and variance as well as, in some cases, reduced estimation bias. The mean residual bias (MRB) is reduced on the simulated data as well as for all 37 patients of a prostate DCE-MRI dataset. Using the proposed algorithm, average computation times only increase by a factor of 1.18 (871 ms per voxel) for a Gaussian prior and 1.51 (1.12 s per voxel) for an edge-preserving prior compared to the single voxel approach (740 ms per voxel). PMID:19369150

  5. Mainz Organics Mechanism (MOM): description and sensitivity to some estimated kinetic parameters

    NASA Astrophysics Data System (ADS)

    Taraborrelli, Domenico; Cabrera Perez, David; Sander, Rolf; Pozzer, Andrea

    2015-04-01

    Despite decades of reasearch, global atmospheric chemistry models still have significant biases compared to the estimated distribution and evolution of tropospheric ozone and hydroxyl radical. The gas-phase oxidation of volatile organic compounds (VOC) is acknowledged to play an important role among the processes affecting tropospheric ozone, methane lifetime and aerosol evolution. Thus, chemical mechanisms of very diverse complexity have been developed for the major VOCs. However, all mechanisms present shortcomings such as neglection or lumping of intermediates and estimate of many rate constants and product distributions. Here, we present a VOC oxidation mechanism of intermediate complexity called the Mainz Organics Mechanism (MOM). With about 400 species and 1500 reactions, it represents the oxidation of about 20 primarily emitted VOCs comprising small alkanes and alkenes, isoprene, pinenes and monocyclic aromatic compounds. The development protocol significantly borrows from the Master Chemical Mechanism (MCM). However, MOM distinguishes itself for a number of features. First, the structure activity relationship for estimating the rate constants involving hydroxyl radical is site-specific and dependent on temperature. Second, the alkyl nitrate yields are considered to be dependent on temperature, pressure and molecular structure. RO2 + HO2 reaction kinetics is consistent with the recent direct studies of \\chem{OH}-reformation. Isoprene chemistry includes the latest experimental advancements with respect to OH-recycling and alkyl nitrate chemistry. Pinenes chemistry is largely the one by the MCM but with some modifications according to the work of the Leuven's group. Finally, the chemistry of the aromatics is also borrowed from the MCM but with additional photolysis of ortho-nitrophenols leading to \\chem{HONO} formation. The sensitivity of the model to the temperature and pressure dependence of estimated \\chem{OH} rate constants and alkyl nitrate yields will be investigated and its impact on tropospheric ozone distribution will be shown.

  6. Estimation methods and parameter assessment for ethanol yields from total soluble solids of sweet sorghum

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Estimation methods and evaluation of ethanol yield from sweet sorghum (Sorghum bicolor (L.) Moench.) based on agronomic production traits and juice characteristics is important for developing parents and inbred lines of sweet sorghum that can be used by the bio-ethanol industry. The objectives of th...

  7. Turbulence intensity and turbulent kinetic energy parameters over a heterogeneous terrain of Loess Plateau

    NASA Astrophysics Data System (ADS)

    Yue, Ping; Zhang, Qiang; Wang, Runyuan; Li, Yaohui; Wang, Sheng

    2015-09-01

    A deep understanding of turbulence structure is important for investigating the characteristics of the atmospheric boundary layer, especially over heterogeneous terrain. In the present study, turbulence intensity and turbulent kinetic energy (TKE) parameters are analyzed for different conditions with respect to stability, wind direction and wind speed over a valley region of the Loess Plateau of China during December 2003 and January 2004. The purpose of the study is to examine whether the observed turbulence intensity and TKE parameters satisfy Monin-Obukhov similarity theory (MOST), and analyze the wind shear effect on, and thermal buoyancy function of, the TKE, despite the terrain heterogeneity. The results demonstrate that the normalized intensity of turbulence follows MOST for all stability in the horizontal and vertical directions, as well as the normalized TKE in the horizontal direction. The shear effect of the wind speed in the Loess Plateau region is strong in winter and could enhance turbulence for all stability conditions. During daytime, the buoyancy and shear effect together constitute the generation of TKE under unstable conditions. At night, the contribution of buoyancy to TKE is relatively small, and mechanical shearing is the main production form of turbulence.

  8. Estimation of the growth kinetic parameters of Bacillus cereus spores as affected by pulsed light treatment.

    PubMed

    Aguirre, Juan S; de Fernando, Gonzalo García; Hierro, Eva; Hospital, Xavier F; Ordóñez, Juan A; Fernández, Manuela

    2015-06-01

    Quantitative microbial risk assessment requires the knowledge of the effect of food preservation technologies on the growth parameters of the survivors of the treatment. This is of special interest in the case of the new non-thermal technologies that are being investigated for minimal processing of foods. This is a study on the effect of pulsed light technology (PL) on the lag phase of Bacillus cereus spores surviving the treatment and the maximum growth rate (?max) of the survivors after germination. The D value was estimated as 0.35 J/cm(2) and our findings showed that PL affected the kinetic parameters of the microorganism. A log linear relationship was observed between the lag phase and the intensity of the treatment. Increasing the lethality lengthened the mean lag phase and proportionally increased its variability. A polynomial regression was fitted between the ?max of the survivors and the inactivation achieved. The ?max decreased as intensity increased. From these data, and their comparison to published results on the effect of heat and e-beam irradiation on B. cereus spores, it was observed that the shelf-life of PL treated foods would be longer than those treated with heat and similar to irradiated ones. These findings offer information of interest for the implementation of PL for microbial decontamination in the food industry. PMID:25755081

  9. Crop yield estimation model for Iowa using remote sensing and surface parameters

    NASA Astrophysics Data System (ADS)

    Prasad, Anup K.; Chai, Lim; Singh, Ramesh P.; Kafatos, Menas

    2006-01-01

    Numerous efforts have been made to develop various indices using remote sensing data such as normalized difference vegetation index (NDVI), vegetation condition index (VCI) and temperature condition index (TCI) for mapping and monitoring of drought and assessment of vegetation health and productivity. NDVI, soil moisture, surface temperature and rainfall are valuable sources of information for the estimation and prediction of crop conditions. In the present paper, we have considered NDVI, soil moisture, surface temperature and rainfall data of Iowa state, US, for 19 years for crop yield assessment and prediction using piecewise linear regression method with breakpoint. Crop production environment consists of inherent sources of heterogeneity and their non-linear behavior. A non-linear Quasi-Newton multi-variate optimization method is utilized, which reasonably minimizes inconsistency and errors in yield prediction. Minimization of least square loss function has been carried out through iterative convergence using pre-defined empirical equation that provided acceptable lower residual values with predicted values very close to observed ones ( R2 = 0.78) for Corn and Soybean crop ( R2 = 0.86) for Iowa state. The crop yield prediction model discussed in the present paper will further improve in future with the use of long period dataset. Similar model can be developed for different crops of other locations.

  10. Evaluation of Monod kinetic parameters in the subsurface using moment analysis: Theory and numerical testing

    NASA Astrophysics Data System (ADS)

    Mohamed, M.; Hatfield, K.; Perminova, I. V.

    2007-09-01

    The spatial moments of a contaminant plume undergoing bio-attenuation are coupled to the moments of microbial populations effecting that attenuation. In this paper, a scalable inverse method is developed for estimating field-scale Monod parameters such as the maximum microbial growth rate ( ?max), the contaminant half saturation coefficient ( Ks), and the contaminant yield coefficient ( Ys). The method uses spatial moments that characterize the distribution of dissolved contaminant and active microbial biomass in the aquifer. A finite element model is used to generate hypothetical field-scale data to test the method under both homogeneous and heterogeneous aquifer conditions. Two general cases are examined. In the first, Monod parameters are estimated where it is assumed a microbial population comprised of a single bacterial species is attenuating one contaminant (e.g., an electron donor and an electron acceptor). In a second case, contaminant attenuation is attributed to a microbial consortium comprised of two microbial species, and Monod parameters for both species are estimated. Results indicate the inverse method is only slightly sensitive to aquifer heterogeneity and that estimation errors decrease as the sampling time interval decreases with respect to the groundwater travel time between sample locations. Optimum conditions for applying the scalable inverse method in both space and time are investigated under both homogeneous and heterogeneous aquifer conditions.

  11. Determination of design and operation parameters for upper atmospheric research instrumentation to yield optimum resolution with deconvolution

    NASA Technical Reports Server (NTRS)

    Ioup, George E.; Ioup, Juliette W.

    1991-01-01

    The final report for work on the determination of design and operation parameters for upper atmospheric research instrumentation to yield optimum resolution with deconvolution is presented. Papers and theses prepared during the research report period are included. Among all the research results reported, note should be made of the specific investigation of the determination of design and operation parameters for upper atmospheric research instrumentation to yield optimum resolution with deconvolution. A methodology was developed to determine design and operation parameters for error minimization when deconvolution is included in data analysis. An error surface is plotted versus the signal-to-noise ratio (SNR) and all parameters of interest. Instrumental characteristics will determine a curve in this space. The SNR and parameter values which give the projection from the curve to the surface, corresponding to the smallest value for the error, are the optimum values. These values are constrained by the curve and so will not necessarily correspond to an absolute minimum in the error surface.

  12. Non-Isothermic Chemical Kinetics in the Undergraduate Laboratory: Arrhenius Parameters from Experiments with Hyperbolic Temperature Variation.

    ERIC Educational Resources Information Center

    Salvador, F.; And Others

    1984-01-01

    Describes a method which adapts itself to the characteristics of the kinetics of a chemical reaction in solution, enabling students to determine the Arrhenius parameters with satisfactory accuracy by means of a single non-isothermic experiment. Both activation energy and the preexponential factor values can be obtained by the method. (JN)

  13. [Comparison of kinematic and kinetic parameters between the locomotion patterns in nordic walking, walking and running].

    PubMed

    Kleindienst, F I; Michel, K J; Schwarz, J; Krabbe, B

    2006-03-01

    Based on a higher cardio-pulmonary and cardio-vascular benefit and a promised reduction of mechanical load of the musculoskeletal system Nordic Walking (NW) shows an increased market potential. The present study should investigate whether there are biomechanical differences between the locomotion patterns NW, walking and running. Moreover possible resultant load differences should be determined. Eleven subjects, who were already experienced with the NW-technique, participated in this experiment. The kinematic data were collected using two high-speed camera systems from posterior and from lateral at the same time. Simultaneously the ground reaction forces were recorded. The kinematic and the kinetic data reveal differences between the three analyzed locomotion patterns. For NW as well as walking the mechanical load of the lower extremity is lower compared to running. None of the kinematic parameters suggest a "physiological benefit" of NW compared to walking. Moreover NW shows higher vertical and horizontal forces during landing. Exclusively the lower vertical force peak during push off indicates a lower mechanical load for NW in comparison to walking. Consequently it is questionable is NW -- based on its promised "biomechanical benefits" compared to walking -- should be still recommended for overweight people and for people with existing musculoskeletal problems of the lower limb. PMID:16544213

  14. Rate Equations and Kinetic Parameters of the Reactions Involved in Pyrite Oxidation by Thiobacillus ferrooxidans

    PubMed Central

    Lizama, Hector M.; Suzuki, Isamu

    1989-01-01

    Rate equations and kinetic parameters were obtained for various reactions involved in the bacterial oxidation of pyrite. The rate constants were 3.5 ?M Fe2+ per min per FeS2 percent pulp density for the spontaneous pyrite dissolution, 10 ?M Fe2+ per min per mM Fe3+ for the indirect leaching with Fe3+, 90 ?M O2 per min per mg of wet cells per ml for the Thiobacillus ferrooxidans oxidation of washed pyrite, and 250 ?M O2 per min per mg of wet cells per ml for the T. ferrooxidans oxidation of unwashed pyrite. The Km values for pyrite concentration were similar and were 1.9, 2.5, and 2.75% pulp density for indirect leaching, washed pyrite oxidation by T. ferrooxidans, and unwashed pyrite oxidation by T. ferrooxidans, respectively. The last reaction was competitively inhibited by increasing concentrations of cells, with a Ki value of 0.13 mg of wet cells per ml. T. ferrooxidans cells also increased the rate of Fe2+ production from Fe3+ plus pyrite. PMID:16348054

  15. Analysis of blind identification methods for estimation of kinetic parameters in dynamic medical imaging

    NASA Astrophysics Data System (ADS)

    Riabkov, Dmitri

    Compartment modeling of dynamic medical image data implies that the concentration of the tracer over time in a particular region of the organ of interest is well-modeled as a convolution of the tissue response with the tracer concentration in the blood stream. The tissue response is different for different tissues while the blood input is assumed to be the same for different tissues. The kinetic parameters characterizing the tissue responses can be estimated by blind identification methods. These algorithms use the simultaneous measurements of concentration in separate regions of the organ; if the regions have different responses, the measurement of the blood input function may not be required. In this work it is shown that the blind identification problem has a unique solution for two-compartment model tissue response. For two-compartment model tissue responses in dynamic cardiac MRI imaging conditions with gadolinium-DTPA contrast agent, three blind identification algorithms are analyzed here to assess their utility: Eigenvector-based Algorithm for Multichannel Blind Deconvolution (EVAM), Cross Relations (CR), and Iterative Quadratic Maximum Likelihood (IQML). Comparisons of accuracy with conventional (not blind) identification techniques where the blood input is known are made as well. The statistical accuracies of estimation for the three methods are evaluated and compared for multiple parameter sets. The results show that the IQML method gives more accurate estimates than the other two blind identification methods. A proof is presented here that three-compartment model blind identification is not unique in the case of only two regions. It is shown that it is likely unique for the case of more than two regions, but this has not been proved analytically. For the three-compartment model the tissue responses in dynamic FDG PET imaging conditions are analyzed with the blind identification algorithms EVAM and Separable variables Least Squares (SLS). A method of identification that assumes that FDG blood input in the brain can be modeled as a function of time and several parameters (IFM) is analyzed also. Nonuniform sampling SLS (NSLS) is developed due to the rapid change of the FDG concentration in the blood during the early postinjection stage. Comparisons of accuracy of EVAM, SLS, NSLS and IFM identification techniques are made.

  16. Interaction between chitosan and uranyl ions. Role of physical and physicochemical parameters on the kinetics of sorption

    SciTech Connect

    Piron, E.; Accominotti, M.; Domard, A.

    1997-03-19

    This work corresponds to the first part of our studies on the interactions between chitosan particles dispersed in water and uranyl ions. The measurements were obtained by ICP, and we considered the role of various physical and physicochemical parameters related to chitosan. We showed that the crystallinity, the particle dimensions, and the swelling in water of chitosan are parameters which are connected together and govern the kinetic laws of metal diffusion and sorption. The molecular mobility of the polymer chains is then essential parameter. 31 refs., 5 figs., 3 tabs.

  17. The effects of process parameters on yield and properties of iron nanoparticles from ferrocene in a low-pressure plasma

    NASA Astrophysics Data System (ADS)

    Panchal, V.; Lahoti, G.; Bhandarkar, U.; Neergat, M.

    2011-08-01

    The effects of process parameters on iron nanoparticle formation and properties while using ferrocene as a precursor in a low-pressure capacitively coupled plasma are investigated. The L18 array of the Taguchi method, followed by the L4 array, is used with the notional objective of increasing the yield of nanoparticles. A study of the size, shape and composition of the particles (using transmission electron microscopy, high-resolution transmission electron microscopy, Raman spectroscopy, x-ray diffraction, CHON and inductively coupled plasma-atomic emission spectroscopy analysis) gives an insight into the role played by various process parameters. Pressure is the most critical parameter in increasing nanoparticle yield, whereas hydrogen flow plays a key role in determining the nanoparticle size and composition. Atomic hydrogen helps in removing amorphous carbon and reducing the nanoparticle size. RF power plays an important role in the dissociation of ferrocene thus also affecting the composition. Nanoparticles obtained using optimized conditions are a mixture of Fe3O4 and Fe2O3 with cluster size 25-40 nm in diameter that are further made up of 2-4 nm crystallites. Magnetic property measurements indicate that the nanoparticles are super-paramagnetic in nature.

  18. Kinetic parameters for nutrient enhanced crude oil biodegradation in intertidal marine sediments

    PubMed Central

    Singh, Arvind K.; Sherry, Angela; Gray, Neil D.; Jones, D. Martin; Bowler, Bernard F. J.; Head, Ian M.

    2014-01-01

    Availability of inorganic nutrients, particularly nitrogen and phosphorous, is often a primary control on crude oil hydrocarbon degradation in marine systems. Many studies have empirically determined optimum levels of inorganic N and P for stimulation of hydrocarbon degradation. Nevertheless, there is a paucity of information on fundamental kinetic parameters for nutrient enhanced crude oil biodegradation that can be used to model the fate of crude oil in bioremediation programmes that use inorganic nutrient addition to stimulate oil biodegradation. Here we report fundamental kinetic parameters (Ks and qmax) for nitrate- and phosphate-stimulated crude oil biodegradation under nutrient limited conditions and with respect to crude oil, under conditions where N and P are not limiting. In the marine sediments studied, crude oil degradation was limited by both N and P availability. In sediments treated with 12.5 mg/g of oil but with no addition of N and P, hydrocarbon degradation rates, assessed on the basis of CO2 production, were 1.10 ± 0.03 ?mol CO2/g wet sediment/day which were comparable to rates of CO2 production in sediments to which no oil was added (1.05 ± 0.27 ?mol CO2/g wet sediment/day). When inorganic nitrogen was added alone maximum rates of CO2 production measured were 4.25 ± 0.91 ?mol CO2/g wet sediment/day. However, when the same levels of inorganic nitrogen were added in the presence of 0.5% P w/w of oil (1.6 ?mol P/g wet sediment) maximum rates of measured CO2 production increased more than four-fold to 18.40 ± 1.04 ?mol CO2/g wet sediment/day. Ks and qmax estimates for inorganic N (in the form of sodium nitrate) when P was not limiting were 1.99 ± 0.86 ?mol/g wet sediment and 16.16 ± 1.28 ?mol CO2/g wet sediment/day respectively. The corresponding values for P were 63 ± 95 nmol/g wet sediment and 12.05 ± 1.31 ?mol CO2/g wet sediment/day. The qmax values with respect to N and P were not significantly different (P < 0.05). When N and P were not limiting Ks and qmax for crude oil were 4.52 ± 1.51 mg oil/g wet sediment and 16.89 ± 1.25 ?mol CO2/g wet sediment/day. At concentrations of inorganic N above 45 ?mol/g wet sediment inhibition of CO2 production from hydrocarbon degradation was evident. Analysis of bacterial 16S rRNA genes indicated that Alcanivorax spp. were selected in these marine sediments with increasing inorganic nutrient concentration, whereas Cycloclasticus spp. were more prevalent at lower inorganic nutrient concentrations. These data suggest that simple empirical estimates of the proportion of nutrients added relative to crude oil concentrations may not be sufficient to guarantee successful crude oil bioremediation in oxic beach sediments. The data we present also help define the maximum rates and hence timescales required for bioremediation of beach sediments. PMID:24782848

  19. A compilation of rate parameters of water-mineral interaction kinetics for application to geochemical modeling

    USGS Publications Warehouse

    Palandri, James L.; Kharaka, Yousif K.

    2004-01-01

    Geochemical reaction path modeling is useful for rapidly assessing the extent of water-aqueous-gas interactions both in natural systems and in industrial processes. Modeling of some systems, such as those at low temperature with relatively high hydrologic flow rates, or those perturbed by the subsurface injection of industrial waste such as CO2 or H2S, must account for the relatively slow kinetics of mineral-gas-water interactions. We have therefore compiled parameters conforming to a general Arrhenius-type rate equation, for over 70 minerals, including phases from all the major classes of silicates, most carbonates, and many other non-silicates. The compiled dissolution rate constants range from -0.21 log moles m-2 s-1 for halite, to -17.44 log moles m-2 s-1 for kyanite, for conditions far from equilibrium, at 25 ?C, and pH near neutral. These data have been added to a computer code that simulates an infinitely well-stirred batch reactor, allowing computation of mass transfer as a function of time. Actual equilibration rates are expected to be much slower than those predicted by the selected computer code, primarily because actual geochemical processes commonly involve flow through porous or fractured media, wherein the development of concentration gradients in the aqueous phase near mineral surfaces, which results in decreased absolute chemical affinity and slower reaction rates. Further differences between observed and computed reaction rates may occur because of variables beyond the scope of most geochemical simulators, such as variation in grain size, aquifer heterogeneity, preferred fluid flow paths, primary and secondary mineral coatings, and secondary minerals that may lead to decreased porosity and clogged pore throats.

  20. Quantitative analysis of relationships between irradiation parameters and the reproducibility of cyclotron-produced (99m)Tc yields.

    PubMed

    Tanguay, J; Hou, X; Buckley, K; Schaffer, P; Bénard, F; Ruth, T J; Celler, A

    2015-05-21

    Cyclotron production of (99m)Tc through the (100)Mo(p,2n) (99m)Tc reaction channel is actively being investigated as an alternative to reactor-based (99)Mo generation by nuclear fission of (235)U. An exciting aspect of this approach is that it can be implemented using currently-existing cyclotron infrastructure to supplement, or potentially replace, conventional (99m)Tc production methods that are based on aging and increasingly unreliable nuclear reactors. Successful implementation will require consistent production of large quantities of high-radionuclidic-purity (99m)Tc. However, variations in proton beam currents and the thickness and isotopic composition of enriched (100)Mo targets, in addition to other irradiation parameters, may degrade reproducibility of both radionuclidic purity and absolute (99m)Tc yields. The purpose of this article is to present a method for quantifying relationships between random variations in production parameters, including (100)Mo target thicknesses and proton beam currents, and reproducibility of absolute (99m)Tc yields (defined as the end of bombardment (EOB) (99m)Tc activity). Using the concepts of linear error propagation and the theory of stochastic point processes, we derive a mathematical expression that quantifies the influence of variations in various irradiation parameters on yield reproducibility, quantified in terms of the coefficient of variation of the EOB (99m)Tc activity. The utility of the developed formalism is demonstrated with an example. We show that achieving less than 20% variability in (99m)Tc yields will require highly-reproducible target thicknesses and proton currents. These results are related to the service rate which is defined as the percentage of (99m)Tc production runs that meet the minimum daily requirement of one (or many) nuclear medicine departments. For example, we show that achieving service rates of 84.0%, 97.5% and 99.9% with 20% variations in target thicknesses requires producing on average 1.2, 1.5 and 1.9 times the minimum daily activity requirement. The irradiation parameters that would be required to achieve these service rates are described. We believe the developed formalism will aid in the development of quality-control criteria required to ensure consistent supply of large quantities of high-radionuclidic-purity cyclotron-produced (99m)Tc. PMID:25909462

  1. Quantitative analysis of relationships between irradiation parameters and the reproducibility of cyclotron-produced 99mTc yields

    NASA Astrophysics Data System (ADS)

    Tanguay, J.; Hou, X.; Buckley, K.; Schaffer, P.; Bénard, F.; Ruth, T. J.; Celler, A.

    2015-05-01

    Cyclotron production of 99mTc through the 100Mo(p,2n) 99mTc reaction channel is actively being investigated as an alternative to reactor-based 99Mo generation by nuclear fission of 235U. An exciting aspect of this approach is that it can be implemented using currently-existing cyclotron infrastructure to supplement, or potentially replace, conventional 99mTc production methods that are based on aging and increasingly unreliable nuclear reactors. Successful implementation will require consistent production of large quantities of high-radionuclidic-purity 99mTc. However, variations in proton beam currents and the thickness and isotopic composition of enriched 100Mo targets, in addition to other irradiation parameters, may degrade reproducibility of both radionuclidic purity and absolute 99mTc yields. The purpose of this article is to present a method for quantifying relationships between random variations in production parameters, including 100Mo target thicknesses and proton beam currents, and reproducibility of absolute 99mTc yields (defined as the end of bombardment (EOB) 99mTc activity). Using the concepts of linear error propagation and the theory of stochastic point processes, we derive a mathematical expression that quantifies the influence of variations in various irradiation parameters on yield reproducibility, quantified in terms of the coefficient of variation of the EOB 99mTc activity. The utility of the developed formalism is demonstrated with an example. We show that achieving less than 20% variability in 99mTc yields will require highly-reproducible target thicknesses and proton currents. These results are related to the service rate which is defined as the percentage of 99mTc production runs that meet the minimum daily requirement of one (or many) nuclear medicine departments. For example, we show that achieving service rates of 84.0%, 97.5% and 99.9% with 20% variations in target thicknesses requires producing on average 1.2, 1.5 and 1.9 times the minimum daily activity requirement. The irradiation parameters that would be required to achieve these service rates are described. We believe the developed formalism will aid in the development of quality-control criteria required to ensure consistent supply of large quantities of high-radionuclidic-purity cyclotron-produced 99mTc.

  2. Determination of char combustion kinetics parameters: Comparison of point detector and imaging-based particle-sizing pyrometry

    NASA Astrophysics Data System (ADS)

    Schiemann, Martin; Geier, Manfred; Shaddix, Christopher R.; Vorobiev, Nikita; Scherer, Viktor

    2014-07-01

    In this study, the char burnout characteristics of two German coals (a lignite and a high-volatile bituminous coal) were investigated using two different experimental configurations and optical techniques in two distinct laboratories for measurement of temperature and size of burning particles. The optical diagnostic hardware is quite different in the two systems, but both perform two-color pyrometry and optical sizing measurements on individual particles burning in isolation from each other in high-temperature laminar flows to characterize the char consumption kinetics. The performance of the specialized systems is compared for two different combustion atmospheres (with 6.6 and 12 vol.% O2) and gas temperatures between 1700 and 1800 K. The measured particle temperatures and diameters are converted to char burning rate parameters for several residence times during the course of the particles' burnout. The results confirm that comparable results are obtained with the two configurations, although higher levels of variability in the measured data were observed in the imaging-based pyrometer setup. Corresponding uncertainties in kinetics parameters were larger, and appear to be more sensitive to systematic measurement errors when lower oxygen contents are used in the experiments. Consequently, burnout experiments in environments with sufficiently high O2 contents may be used to measure reliable char burning kinetics rates. Based on simulation results for the two coals, O2 concentrations in the range 10%-30% are recommended for kinetic rate measurements on 100 ?m particles.

  3. Kinetic Theory of Turbulence Modeling: Smallness Parameter, Scaling and Microscopic Derivation of Smagorinsky Model

    E-print Network

    Santosh Ansumali; Iliya V. Karlin; Sauro Succi

    2004-02-06

    A mean-field approach (filtering out subgrid scales) is applied to the Boltzmann equation in order to derive a subgrid turbulence model based on kinetic theory. It is demonstrated that the only Smagorinsky type model which survives in the hydrodynamic limit on the viscosity time scale is the so-called tensor-diffusivity model. Scaling of the filter-width with Reynolds number and Knudsen number is established. This sets the first rigorous step in deriving turbulence models from kinetic theory.

  4. Determination of kinetic parameters of 1,3-propanediol fermentation by Clostridium diolis using statistically optimized medium.

    PubMed

    Kaur, Guneet; Srivastava, Ashok K; Chand, Subhash

    2012-09-01

    1,3-propanediol (1,3-PD) is a chemical compound of immense importance primarily used as a raw material for fiber and textile industry. It can be produced by the fermentation of glycerol available abundantly as a by-product from the biodiesel plant. The present study was aimed at determination of key kinetic parameters of 1,3-PD fermentation by Clostridium diolis. Initial experiments on microbial growth inhibition were followed by optimization of nutrient medium recipe by statistical means. Batch kinetic data from studies in bioreactor using optimum concentration of variables obtained from statistical medium design was used for estimation of kinetic parameters of 1,3-PD production. Direct use of raw glycerol from biodiesel plant without any pre-treatment for 1,3-PD production using this strain investigated for the first time in this work gave results comparable to commercial glycerol. The parameter values obtained in this study would be used to develop a mathematical model for 1,3-PD to be used as a guide for designing various reactor operating strategies for further improving 1,3-PD production. An outline of protocol for model development has been discussed in the present work. PMID:22331102

  5. Genetic parameters of different measures of cheese yield and milk nutrient recovery from an individual model cheese-manufacturing process.

    PubMed

    Bittante, G; Cipolat-Gotet, C; Cecchinato, A

    2013-01-01

    Cheese yield (CY) is an important technological trait in the dairy industry, and the objective of this study was to estimate the genetic parameters of cheese yield in a dairy cattle population using an individual model-cheese production procedure. A total of 1,167 Brown Swiss cows belonging to 85 herds were sampled once (a maximum of 15 cows were sampled per herd on a single test day, 1 or 2 herds per week). From each cow, 1,500 mL of milk was processed according to the following steps: milk sampling and heating, culture addition, rennet addition, gelation-time recording, curd cutting, whey draining and sampling, wheel formation, pressing, salting in brine, weighing, and cheese sampling. The compositions of individual milk, whey, and curd samples were determined. Three measures of percentage cheese yield (%CY) were calculated: %CY(CURD), %CY(SOLIDS), and %CY(WATER), which represented the ratios between the weight of fresh curd, the total solids of the curd, and the water content of the curd, respectively, and the weight of the milk processed. In addition, 3 measures of daily cheese yield (dCY, kg/d) were defined, considering the daily milk yield. Three measures of nutrient recovery (REC) were computed: REC(FAT), REC(PROTEIN), and REC(SOLIDS), which represented the ratio between the weights of the fat, protein, and total solids in the curd, respectively, and the corresponding nutrient in the milk. Energy recovery, REC(ENERGY), represented the energy content of the cheese versus that in the milk. For statistical analysis, a Bayesian animal model was implemented via Gibbs sampling. The effects of parity (1 to ?4), days in milk (6 classes), and laboratory vat (15 vats) were assigned flat priors; those of herd-test-date, animal, and residual were given Gaussian prior distributions. Intra-herd heritability estimates of %CY(CURD), %CY(SOLIDS), and %CY(WATER) ranged from 0.224 to 0.267; these were larger than the estimates obtained for milk yield (0.182) and milk fat content (0.122), and similar to that for protein content (0.275). Daily cheese yields showed heritability estimates similar to those of daily milk yield. The trait %CY(WATER) showed a highly positive genetic correlation with %CY(SOLIDS) (0.87), whereas their phenotypic correlation was moderate (0.37), and the fat and protein contents of milk showed high genetic correlations with %CY traits. The heritability estimates of REC(PROTEIN) and REC(FAT) were larger (0.490 and 0.208, respectively) than those obtained for the protein and fat contents of milk, and the genetic relationships between REC(PROTEIN) and REC(FAT) with milk protein and fat content were low or moderate; REC(PROTEIN) and REC(FAT) were moderately correlated with the %CY traits and highly correlated with REC(SOLIDS) and REC(ENERGY). Both REC(SOLIDS) and REC(ENERGY) were heritable (0.274 and 0.232), and showed high correlations with each other (0.96) and with the %CY traits (0.83 to 0.97). Together, these findings demonstrate the existence of economically important, genetically determined variability in cheese yield that does not depend solely upon the fat and protein contents of milk, but also relies on the ability of the coagulum to retain the highest possible proportions of the available protein, fat, and water. Exploitation of this interesting genetic variation does not seem to be feasible through direct measurement of the phenotype in cows at the population level. Instead, further research is warranted to examine possible means for indirect prediction, such as through assessing the mid-infrared spectra of milk samples. PMID:24094539

  6. Antioxidative effects of melatonin on kinetics, microscopic and oxidative parameters of cryopreserved bull spermatozoa.

    PubMed

    Ashrafi, Iraj; Kohram, Hamid; Ardabili, Farhad Farrokhi

    2013-06-01

    Reactive oxygen species generated during the freeze-thawing process may reduce sperm quality. This study evaluates the effects of melatonin supplementation as an antioxidant in the semen extender on post-thaw parameters of bull spermatozoa. Melatonin was added to the citrate-egg yolk extender to yield six different final concentrations: 0, 0.1, 1, 2, 3 and 4mM. Ejaculates were collected from six proven Holstein bulls. Semen was diluted in the extender packaged in straws, which was frozen with liquid nitrogen. The semen extender supplemented with various doses of melatonin increased (p<0.05) total motility, progressive motility, linearity, sperm track straightness, lateral head displacement, viability, integrity of the sperm membrane and total normal morphology of sperm after the freeze-thawing process. The most effective concentration of melatonin in microscopic evaluations of the bull sperm freezing extender was 2mM. The highest (p<0.05) value of total antioxidant capacity (48.9±2.7) and the lowest value of lipid peroxidation (2.7±0.8) were achieved by inclusion of 3mM concentration of melatonin in the semen extender and the highest activity of catalase (0.7±0.1) was obtained by 2mM melatonin. Four millimolar concentration of melatonin were reduced (p<0.05) the progressive motility and straight linear velocity. In conclusion, supplementation of 2 or 3mM concentration of melatonin in the semen extender improved the quality of post-thawed semen, which may associate with a reduction in lipid peroxidation as well as an increase in the total antioxidant capacity and antioxidant enzyme activity. PMID:23664651

  7. Multiple-trait random regression models for the estimation of genetic parameters for milk, fat, and protein yield in buffaloes.

    PubMed

    Borquis, Rusbel Raul Aspilcueta; Neto, Francisco Ribeiro de Araujo; Baldi, Fernando; Hurtado-Lugo, Naudin; de Camargo, Gregório M F; Muñoz-Berrocal, Milthon; Tonhati, Humberto

    2013-09-01

    In this study, genetic parameters for test-day milk, fat, and protein yield were estimated for the first lactation. The data analyzed consisted of 1,433 first lactations of Murrah buffaloes, daughters of 113 sires from 12 herds in the state of São Paulo, Brazil, with calvings from 1985 to 2007. Ten-month classes of lactation days were considered for the test-day yields. The (co)variance components for the 3 traits were estimated using the regression analyses by Bayesian inference applying an animal model by Gibbs sampling. The contemporary groups were defined as herd-year-month of the test day. In the model, the random effects were additive genetic, permanent environment, and residual. The fixed effects were contemporary group and number of milkings (1 or 2), the linear and quadratic effects of the covariable age of the buffalo at calving, as well as the mean lactation curve of the population, which was modeled by orthogonal Legendre polynomials of fourth order. The random effects for the traits studied were modeled by Legendre polynomials of third and fourth order for additive genetic and permanent environment, respectively, the residual variances were modeled considering 4 residual classes. The heritability estimates for the traits were moderate (from 0.21-0.38), with higher estimates in the intermediate lactation phase. The genetic correlation estimates within and among the traits varied from 0.05 to 0.99. The results indicate that the selection for any trait test day will result in an indirect genetic gain for milk, fat, and protein yield in all periods of the lactation curve. The accuracy associated with estimated breeding values obtained using multi-trait random regression was slightly higher (around 8%) compared with single-trait random regression. This difference may be because to the greater amount of information available per animal. PMID:23831097

  8. Identification of quantitative trait loci for resistance to Verticillium wilt and yield parameters in hop (Humulus lupulus L.).

    PubMed

    Jakse, Jernej; Cerenak, Andreja; Radisek, Sebastjan; Satovic, Zlatko; Luthar, Zlata; Javornik, Branka

    2013-06-01

    Verticillium wilt (VW) can cause substantial yield loss in hop particularly with the outbreaks of the lethal strain of Verticillium albo-atrum. To elucidate genetic control of VW resistance in hop, an F1 mapping population derived from a cross of cultivar Wye Target, with the predicted genetic basis of resistance, and susceptible male breeding line BL2/1 was developed to assess wilting symptoms and to perform QTL mapping. The genetic linkage map, constructed with 203 markers of various types using a pseudo-testcross strategy, formed ten major linkage groups (LG) of the maternal and paternal maps, covering 552.98 and 441.1 cM, respectively. A significant QTL for VW resistance was detected at LOD 7 on a single chromosomal region on LG03 of both parental maps, accounting for 24.2-26.0 % of the phenotypic variance. QTL analysis for alpha-acid content and yield parameters was also performed on this map. QTLs for these traits were also detected and confirmed our previously detected QTLs in a different pedigree and environment. The work provides the basis for exploration of QTL flanking markers for possible use in marker-assisted selection. PMID:23423654

  9. How is the Monoclonal Antibodies Kinetic Affected by Changes of Their Physical Parameters?

    E-print Network

    Delgado-Correal, Camilo; Lizarazo-Pérez, Heidy Alexandra

    2010-01-01

    The study of monoclonal antibodies (MAb) is a field of great interest to science medicine, for example, anti-TNF agents (infliximab and adalimumab) represent an important tool for the management of autoimmune and inflammatory disorders. In this work we focus on the physical description of the transport kinetics of MAb in a fluid with laminar flow and parabolic profile. To simulate the kinetics of the MAb, standard equations were solved numerically (using The Verlet algorithm) to calculate the motion of a particle with a spherically symmetric inside of parabolic laminar flow, in order to find the time evolution of the antibody velocity in blood plasma in function of the increase of the radius, mass and density of the MAb, and the fluid pressure in blood vessels. In the case of we fixed the value of the antibody density, their kinetics increased when the pressure in the vessels increased. When we fixed the pressure in the vessels we found: if we reduce the antibody radius their kinetics increased, and when we i...

  10. Intrinsic kinetic parameters of Thermococcus onnurineus NA1 strains and prediction of optimum carbon monoxide level for ideal bioreactor operation.

    PubMed

    Jeong, Yeseul; Jang, Nulee; Yasin, Muhammad; Park, Shinyoung; Chang, In Seop

    2016-02-01

    This study determines and compares the intrinsic kinetic parameters (Ks and Ki) of selected Thermococcus onnurineus NA1 strains (wild-type (WT), and mutants MC01, MC02, and WTC156T) using the substrate inhibition model. Ks and Ki values were used to find the optimum dissolved CO (CL) conditions inside the reactor. The results showed that in terms of the maximum specific CO consumption rates (qCO(max)) of WT, MC01, MC02, and WTC156T the optimum activities can be achieved by maintaining the CL levels at 0.56mM, 0.52mM, 0.58mM, and 0.75mM, respectively. The qCO(max) value of WTC156T at 0.75mM was found to be 1.5-fold higher than for the WT strain, confirming its superiority. Kinetic modeling was then used to predict the conditions required to maintain the optimum CL levels and high cell concentrations in the reactor, based on the kinetic parameters of the WTC156T strain. PMID:26638136

  11. On the protein residues that control the yield and kinetics of O(630) in the photocycle of bacteriorhodopsin.

    PubMed Central

    Li, Q; Bressler, S; Ovrutsky, D; Ottolenghi, M; Friedman, N; Sheves, M

    2000-01-01

    The effects of pH on the yield (phi(r)), and on the apparent rise and decay constants (k(r), k(d)), of the O(630) intermediate are important features of the bacteriorhodopsin (bR) photocycle. The effects are associated with three titration-like transitions: 1) A drop in k(r), k(d), and phi(r) at high pH [pK(a)(1) approximately 8]; 2) A rise in phi(r) at low pH [pK(a)(2) approximately 4.5]; and 3) A drop in k(r) and k(d) at low pH [pK(a)(3) approximately 4. 5]. (pK(a) values are for native bR in 100 mM NaCl). Clarification of these effects is approached by studying the pH dependence of phi(r), k(r), and k(d) in native and acetylated bR, and in its D96N and R82Q mutants. The D96N experiments were carried out in the presence of small amounts of the weak acids, azide, nitrite, and thiocyanate. Analysis of the mutant's data leads to the identification of the protein residue (R(1)) whose state of protonation controls the magnitude of phi(r), k(r), and k(d) at high pH, as Asp-96. Acetylation of bR modifies the Lys-129 residue, which is known to affect the pK(a) of the group (XH), which releases the proton to the membrane exterior during the photocycle. The effects of acetylation on the O(630) parameters reveal that the low-pH titrations should be ascribed to two additional protein residues R(2) and R(3). R(2) affects the rise of phi(r) at low pH, whereas the state of protonation of R(3) affects both k(r) and k(d). Our data confirm a previous suggestion that R(3) should be identified as the proton release moiety (XH). A clear identification of R(2), including its possible identity with R(3), remains open. PMID:10620299

  12. Electron-beam initiated polymerization of acrylate compositions 4: effects of pulsed irradiation parameters on curing kinetics

    NASA Astrophysics Data System (ADS)

    Defoort, Brigitte; Larnac, Guy; Coqueret, Xavier

    2001-07-01

    The electron beam induced curing of a typical epoxy acrylate formulation designed for high performance fiber reinforced composites has been investigated in order to quantify the influence of the beam parameters on polymerization kinetics. Experimental results illustrating the effects of dose rate on curing kinetics observed for a pulsed irradiation of the epoxy acrylate resin are detailed and compared to those of a continuous beam. Variations of the beam frequency in the case of pulsed irradiation do not lead to the same dose rate dependence of the polymerization rate as do current variations in continuous irradiation, or changes in the distance between gun and sample during pulsed irradiation. Simulations of the free radical concentration profiles using a reasonable selection of values for the rate constants provide the basis of tentative explanations and contribute to having a good control over the industrial process.

  13. Kinetic parameters of ?-irradiated Y2O3 phosphors: Effect of doping/codoping and heating rate

    NASA Astrophysics Data System (ADS)

    Som, S.; Chowdhury, M.; Sharma, S. K.

    2015-05-01

    This paper reports the thermoluminescence characteristics of Yb doped and Yb/RE3+ (RE=Eu, Tb) codoped Y2O3 phosphors under ?-irradiations. The phosphors were prepared by combustion synthesis method and characterized by X-ray diffraction (XRD) and Thermoluminescence (TL) techniques. XRD studies confirm the body-centered cubic structure of the phosphors. TL glow curves of doped and codoped phosphors exhibit single broad peak. Codoping with rare earth ions influences the glow peak temperature and intensity drastically. Intensity of the glow peak increases linearly in the studied ?-dose range. Kinetic parameters such as order of kinetics, trap depth and frequency factor associated with the glow peak were calculated by various glow curve methods.

  14. Relations between climatic-geomorphological parameters and sediment yield in a mediterranean semi-arid area (Sicily, southern Italy)

    NASA Astrophysics Data System (ADS)

    Grauso, Sergio; Pagano, Andrea; Fattoruso, Grazia; de Bonis, Piero; Onori, Filippo; Regina, Pasquale; Tebano, Carlo

    2008-03-01

    In the present work on-going research is discussed whose primary goal is to test some statistical methods to estimate the average yearly area-specific sediment yield (SSY). Using geomorphological and climatic parameters various multiple regression formulae have been set up based on SSY observed data from 16 catchments of Sicily. Three distinct techniques were adopted to select the parameters to be used in the equations: simple correlation, stepwise regression analysis and a supervised geomorphological-statistical correlation. The comparison of the results showed the effectiveness of the stepwise analysis, which led to a regression equation with a coefficient of determination ( r 2) of 0.87. Nevertheless, even this methodology showed some elements of uncertainty that have caused, in some cases, appreciable differences between observed and predicted values (mean percentage error equal to 26%). These differences are likely either due to the hydraulic regime of most of Sicilian watercourses (typical of semi-arid regions) or to hidden factors (e.g., topography, human impact and concentrated erosion), which can greatly affect the processes of sediment production and transport. The study has pointed out the need to take into account a larger number of observations and to perform the analysis of relations between suitable variables and SSY at a more detailed time resolution.

  15. Global Chapman-Ferraro problem in large scale kinetics: 3d magnetotail/solar coronal streamer with new kinetic plasma scales and dimensionless parameters

    NASA Astrophysics Data System (ADS)

    Gubchenko, Vladimir

    In terms of the Vlasov-Maxwell kinetic approach we consider analytically the global Chapman- Ferraro problem (CFP) of inductive generation by the solar wind plasma flow of 3D magnetotail/solar streamer (M/S) structures in the process of electromagnetic (e.m.) interaction of the flow with the magnetized region. The input undisturbed flow is a hot collisionless plasma with an isotropic velocity distribution function (VDF) of any form, characterized by the introduced dimensionless kinetic parameter G. The 3D analytical stationary solution and set of new CFP parameters are a result of the classical simplification method based on separation of plasma particles in the velocity phase space into "trapped" and "flyby" groups that interact electromagnetically. The "flyby" particles form the "flowing media" with large scale kinetic inductive e.m. plasma eigenmodes disturbing the plasma VDF. The trapped particles in the magnetic dipole field form the prescribed "magnetic quasiparticle". The quasiparticle is described as stationary 3D spatial magnetization formed by the superposition of dipole like magnetization with N and S poles and toroidal circular magnetization without the poles. The spatial scale of the "quasiparticle", the ratio of the integral currents in the dipole and the toroidal components, and angle of mutual orientation of the components are the "quasiparticle" parameters. The "quasiparticle" models magnetic loop, sigma and helmet magnetoactive structures for the Sun and models circular and partial ring currents in the internal magnetosphere. The "quasiparticle" induces downflow the elongated quasicylindrical "dipole"-like and "toroidal"-like 3D M/S structures with fine multyrope and multicurrent sheets forming magnetic reconnection topology inside described by the package of inductive modes. Currents in the structures have resistive and diamagnetic components, which are related with "thin" structures inside "thick" current systems, respectively. Current scales are related with two different e.m. plasma kinetic spatial dispersion scales induced by the flow. They are defined by two dimensionless parameters of the plasma flow anisotropy. The anomalous skin scale defined via the "flow pulse" anisotropy stipulated by "resonant" particles which, in turn, provide resistivity in the flow. The magnetic Debye skin scale defined via the "flow energy" anisotropy formed by "nonresonant" particles which provide the diamagnetizm. We obtain these effects only in the subthermal (with respect to electrons) regime of the flow velocity. Squared ratio of two scales defines "quality" G equal to cotangent of the "losses angle" which measures the flow reactivity also and G can be a new characteristic for space weather. The value of G depends only on the form factor of the VDF and determines topology of the M/S states. We obtain the asymmetric "the resistive elongated state" for M/S when G is small with possibility of adiabatic transition to symmetric "the diamagnetic dipolized state" when G is large. Nonadiabatic transitions can be considered as substorm/CME relaxation substructure in the M/S structures.

  16. Kinetic parameters for plasma. beta. -endorphin in lean and obese Zucker rats

    SciTech Connect

    Rodd, D.; Farrell, P.A.; Caston, A.L.; Green, M.H. )

    1991-03-01

    To determine plasma clearance kinetics for {beta}-endorphin (BE) by empirical compartmental analysis, a bolus of radioactive labeled 125I-BE was rapidly injected into a carotid artery catheter of unanesthetized lean (L) and obese (O) Zucker rats. The plasma disappearance of 125I was followed over a 3-h period. A 3-component exponential equation provided the best fit for plasma data. Plasma transit times were very short (10 s); however, plasma fractional catabolic rate was much slower. Plasma mean residence time was similar for both groups (50 min) as was recycle time (1.3 min). These data suggest that BE plasma disappearance kinetics are similar in L and O rats.

  17. Cationic metallocene olefin polymerization catalysts. Thermodynamic and kinetic parameters for ion pair formation, dissociation, and reorganization

    SciTech Connect

    Deck, P.A.; Marks, T.J.

    1995-06-07

    We report here the first detailed calorimetric thermodynamic and NMR spectroscopic kinetic study of a prototypical, structurally well-characterized metallocenium catalyst system, (1,2-Me{sub 2}C{sub 5}H{sub 3}){sub 2}MCH{sub 3}{sup +}CH{sub 3}B(C{sub 6}/F{sub 5}){sub 3}{sup -}(M = Zr, Hf). From the acquired data, it is possible to map out the reaction coordinate(s) for the aforementioned ion pair formation/reorganization processes and to quantify several striking metal and solvent effects thereupon. The present results provide the first quantitative information on the thermodynamics and kinetics of metallocenium ion pair formation, dissociation, and stereomutation. The quantitative data indicate that the stability of the ion pairs with respect to the constituent neutrals is metal-dependent (Zr > Hf) and that processes which loosen the ion pairing and invert the local dissymmetry are also highly metal- and solvent-dependent. These results convey significant implications for catalyst stability, activity, and stereoregulation kinetics of the sterically-sensitive olefin insertion process. 13 refs., 1 fig., 1 tab.

  18. Pathway kinetics and metabolic control analysis of a high-yielding strain of Penicillium chrysogenum during fed batch cultivations.

    PubMed

    de Noronha Pissara, P; Nielsen, J; Bazin, M J

    1996-07-20

    A kinetic model representing the pathway for the biosynthesis of penicillin by P. chrysogenum has been developed. The model is capable of describing the flux through the biosynthetic pathway, and model simulations correspond well with measurements of intermediates and end products. One feature of the present model structure is that it assumes the kinetics of the enzyme isopenicillin N synthetase (IPNS) to be first order with respect to the dissolved oxygen concentration in the range of 0.070 to 0.18 mM (25% to 70% saturation with air). Thus, it indicates the importance that molecular oxygen has on the rate of the reaction catalyzed by this enzyme, and consequently as an enhancer of the specific rate of penicillin production. Using the kinetic model, metabolic control analysis (MCA) of the pathway was performed. The determined flux control coefficients suggested that, during the production phase, the flux is controlled by IPNS as this enzyme becomes saturated with tripeptide delta-(L-alpha-amino-adipyl)-L-cysteinyl-D-valine (LLD-ACV). In the simulations, oxygen was shown to be a bottleneck alleviator by stimulating the rate of IPNS which prevents the accumulation of LLD-ACV. As a consequence of this stimulation, the rate-controlling step was moved to another place in the pathway. PMID:18624326

  19. A comparison of region-based and pixel-based CEUS kinetics parameters in the assessment of arthritis

    NASA Astrophysics Data System (ADS)

    Grisan, E.; Raffeiner, B.; Coran, A.; Rizzo, G.; Ciprian, L.; Stramare, R.

    2014-03-01

    Inflammatory rheumatic diseases are leading causes of disability and constitute a frequent medical disorder, leading to inability to work, high comorbidity and increased mortality. The gold-standard for diagnosing and differentiating arthritis is based on patient conditions and radiographic findings, as joint erosions or decalcification. However, early signs of arthritis are joint effusion, hypervascularization and synovial hypertrophy. In particular, vascularization has been shown to correlate with arthritis' destructive behavior, more than clinical assessment. Contrast Enhanced Ultrasound (CEUS) examination of the small joints is emerging as a sensitive tool for assessing vascularization and disease activity. The evaluation of perfusion pattern rely on subjective semi-quantitative scales, that are able to capture the macroscopic degree of vascularization, but are unable to detect the subtler differences in kinetics perfusion parameters that might lead to a deeper understanding of disease progression and a better management of patients. Quantitative assessment is mostly performed by means of the Qontrast software package, that requires the user to define a region of interest, whose mean intensity curve is fitted with an exponential function. We show that using a more physiologically motivated perfusion curve, and by estimating the kinetics parameters separately pixel per pixel, the quantitative information gathered is able to differentiate more effectively different perfusion patterns. In particular, we will show that a pixel-based analysis is able to provide significant markers differentiating rheumatoid arthritis from simil-rheumatoid psoriatic arthritis, that have non-significant differences in clinical evaluation (DAS28), serological markers, or region-based parameters.

  20. Model of 2,3-bisphosphoglycerate metabolism in the human erythrocyte based on detailed enzyme kinetic equations: equations and parameter refinement.

    PubMed Central

    Mulquiney, P J; Kuchel, P W

    1999-01-01

    Over the last 25 years, several mathematical models of erythrocyte metabolism have been developed. Although these models have identified the key features in the regulation and control of erythrocyte metabolism, many important aspects remain unexplained. In particular, none of these models have satisfactorily accounted for 2,3-bisphosphoglycerate (2,3-BPG) metabolism. 2,3-BPG is an important modulator of haemoglobin oxygen affinity, and hence an understanding of the regulation of 2,3-BPG concentration is important for understanding blood oxygen transport. A detailed, comprehensive, and hence realistic mathematical model of erythrocyte metabolism is presented that can explain the regulation and control of 2,3-BPG concentration and turnover. The model is restricted to the core metabolic pathways, namely glycolysis, the 2,3-BPG shunt and the pentose phosphate pathway (PPP), and includes membrane transport of metabolites, the binding of metabolites to haemoglobin and Mg(2+), as well as pH effects on key enzymic reactions and binding processes. The model is necessarily complex, since it is intended to describe the regulation and control of 2,3-BPG metabolism under a wide variety of physiological and experimental conditions. In addition, since H(+) and blood oxygen tension are important external effectors of 2,3-BPG concentration, it was important that the model take into account the large array of kinetic and binding phenomena that result from changes in these effectors. Through an iterative loop of experimental and simulation analysis many values of enzyme-kinetic parameters of the model were refined to yield close conformity between model simulations and 'real' experimental data. This iterative process enabled a single set of parameters to be found which described well the metabolic behaviour of the erythrocyte under a wide variety of conditions. PMID:10477269

  1. Effect of the label of oligosaccharide acceptors on the kinetic parameters of nasturtium seed xyloglucan endotransglycosylase (XET).

    PubMed

    Kosík, Ond?ej; Garajová, So?a; Matulová, Mária; Rehulka, Pavel; Stratilová, Eva; Farkaš, Vladimír

    2011-02-01

    Fluorescently labeled derivatives of a xyloglucan (XG) nonasaccharide Glc(4)Xyl(3)Gal(2) (XLLG) were used as glycosyl acceptors in assays of xyloglucan endotransglycosylase (XET) from germinated nasturtium (Tropaeolum majus) seeds. We have investigated how the type of the oligosaccharide label influences the kinetic parameters of the reaction. The fluorescent probes used to label XLLG were anthranilic acid (AA), 8-aminonaphtalene-1,3,6-trisulfonic acid (ANTS), fluorescein isothiocyanate (FITC), and sulforhodamine (SR), respectively. The obtained data were compared with those of the reactions where aldose and/or alditol forms of tritium-labeled xyloglucan-derived nonasaccharide served as the respective acceptors. Modification at C-1 of the reducing-end glucose in XLLG by substitution with the fluorophore markedly affected the kinetic parameters of the reaction. The Michaelis constants K(m) for individual acceptors increased in the order [1-(3)H]XLLGXLLG-SR>XLLG-ANTS>[1-(3)H]XLLGol>[1-(3)H]XLLG>XLLG-AA. Catalytic efficiency (expressed as k(cat)/K(m)) with XLLG labeled with SR or FITC was 15 and 28 times, respectively, higher than with the tritium-labeled natural substrate [1-(3)H]XLLG. Comparison of the kinetic parameters found with acceptors labeled with different types of labels enables to select the most effective substrates for the high-throughput assays of XET. PMID:21146161

  2. Yields of clustered DNA damage induced by charged-particle radiations of similar kinetic energy per nucleon: LET dependence in different DNA microenvironments

    SciTech Connect

    Keszenman, D.J.; Sutherland, B. M.

    2010-08-01

    To determine the linear energy transfer (LET) dependence of the biological effects of densely ionizing radiation in relation to changes in the ionization density along the track, we measured the yields and spectrum of clustered DNA damages induced by charged particles of different atomic number but similar kinetic energy per nucleon in different DNA microenvironments. Yeast DNA embedded in agarose in solutions of different free radical scavenging capacity was irradiated with 1 GeV protons, 1 GeV/nucleon oxygen ions, 980 MeV/nucleon titanium ions or 968 MeV/nucleon iron ions. The frequencies of double-strand breaks (DSBs), abasic sites and oxypurine clusters were quantified. The total DNA damage yields per absorbed dose induced in non-radioquenching solution decreased with LET, with minor variations in radioquenching conditions being detected. However, the total damage yields per particle fluence increased with LET in both conditions, indicating a higher efficiency per particle to induce clustered DNA damages. The yields of DSBs and non-DSB clusters as well as the damage spectra varied with LET and DNA milieu, suggesting the involvement of more than one mechanism in the formation of the different types of clustered damages.

  3. A laser flash photolysis kinetics study of the reaction OH + H2O2 yields HO2 + H2O

    NASA Technical Reports Server (NTRS)

    Wine, P. H.; Semmes, D. H.; Ravishankara, A. R.

    1981-01-01

    Absolute rate constants for the reaction are reported as a function of temperature over the range 273-410 K. OH radicals are produced by 266 nm laser photolysis of H2O2 and detected by resonance fluorescence. H2O2 concentrations are determined in situ in the slow flow system by UV photometry. The results confirm the findings of two recent discharge flow-resonance fluorescence studies that the title reaction is considerably faster, particularly at temperatures below 300 K, than all earlier studies had indicated. A table giving kinetic data from the reaction is included.

  4. Attenuation length in ion-induced kinetic electron emission: A key to an understanding of angular-dependent yields

    NASA Astrophysics Data System (ADS)

    Wittmaack, Klaus

    2015-03-01

    The mean attenuation length, , of electrons emitted from ion bombarded solids was derived from measured angular-dependent electron yields ?(?) in combination with Monte Carlo simulations of inelastic (electronic) energy deposition. The transport controlled contributions of excited electrons to the measured electron yields were derived as the integral gL over Seexp (-z /L ), where Se(? ,z ) is the electronic energy deposition and z the depth from the surface. The unknown attenuation length L ? reflects the average over the energy spectrum and the angular distribution of those internally excited electrons that can reach the solid-vacuum interface and overcome the surface barrier. To determine L , the ratios gL(? ) /gL(0 ) , calculated for 0 ?L ?10 nm , were compared with measured yield ratios ?(?)/?(0) for a wide variety of projectile-target combinations and impact energies between 1 and 50 keV (velocity-proportional electronic stopping). The procedure works well at angles at which Se(?,z ) decreases smoothly in the depth region between 1 and 3 nm. The result is =1.5 ±0.3 nm, a number basically in accordance with expectation based on estimated data for the inelastic mean free path of low-energy electrons (<25 eV) but a factor of 10 lower than the numbers recently advocated (10-15 nm) to rationalize "internal" electron yields observed with metal-insulator-metal sandwich structures.

  5. Compartmental models for apical efflux by P-glycoprotein. Part 2. A theoretical study on transporter kinetic parameters

    PubMed Central

    Korzekwa, Ken; Nagar, Swati

    2013-01-01

    Purpose The impact of efflux transporters in intracellular concentrations of a drug can be predicted with modeling techniques. In Part 1, several compartmental models were developed and evaluated. The goal of Part 2 was to apply these models to the characterization and interpretation of saturation kinetic data. Methods The compartmental models from Part 1were used to evaluate a previously published dataset from cell lines expressing varying levels of P-glycoprotein. Kinetic parameters for the transporter were estimated and compared across models. Results Fits and errors for all compartmental models were identical. All compartmental models predicted more consistent parameters than the Michaelis-Menten model. The 5-compartment model with efflux out of the membrane predicted differential impact of P-gp upon apical versus basolateral drug exposure. Finally, the saturable kinetics of active efflux along with a permeability barrier was modeled to delineate a relationship between intracellular concentration with or without active efflux versus donor concentration. This relationship was not a rectangular hyperbola, but instead was shown to be a quadratic function. Conclusions One approach to estimate an in vivo transporter effect is to first model an intracellular Km value from in vitro data, and use this value along with the appropriate tissue transporter expression levels and relative surface area to calculate the relevant apparent Km (or Ki) values. Together with the results from Part 1, these studies suggest that compartmental models can provide a path forward to better utilize in vitro transporter data for in vivo predictions such as physiologically based pharmacokinetic modeling. PMID:23959852

  6. Calculating glass-forming ability in absence of key kinetic and thermodynamic parameters

    NASA Astrophysics Data System (ADS)

    Xu, Donghua; Wirth, Brian D.; Schroers, Jan; Johnson, William L.

    2010-07-01

    Glass-forming ability (GFA) as defined by a critical cooling rate Rc to vitrify a liquid upon solidification is a complex function of many parameters. Some of the parameters, such as liquid-crystal interfacial energy, temperature-dependent liquid viscosity, and influence of heterogeneities, are crucial but their accurate experimental determination is challenging. Here, instead of relying on the experimental data, we draw random values for the difficult parameters and use the classical theory to examine probabilistic distributions of Rc for two well-known metallic glasses. Direct random parameterization produces extremely broad distributions spanning tens of orders of magnitude. Dramatically sharpened distributions are obtained around experimental Rc upon guiding the random parameterization with limited calorimetric data. The results suggest that it is plausible to determine GFA even in absence of data for crucial parameters.

  7. Kinetic parameters of radical reactions of 2-mercaptobenzothiazole with quinone imines

    NASA Astrophysics Data System (ADS)

    Varlamov, V. T.; Gadomska, A. V.

    2014-09-01

    The chain reaction of N, N'-diphenyl-1,4-benzoquinone diimine with 2-mercaptobenzothiazole was studied by two methods developed earlier for the nonchain reaction of N-phenyl-1,4-benzoquinone monoimine with 2-mercaptobenzothiazole. In the methods used, the kinetic scheme of the reaction is simplified by creating conditions under which the rates of all stages except radical generation and decay can be neglected. One of the methods was updated. For the nonchain reaction of N-phenyl-1,4-benzoquinone monoimine with 2-mercaptobenzothiazole, both methods gave close results; for the chain reaction of N, N'-diphenyl-1,4-phenylenediamine with 2-mercaptobenzothiazole, the results differed by approximately one order of magnitude.

  8. Estimation of kinetic parameters of transcription from temporal single-RNA measurements.

    PubMed

    Zimmer, Christoph; Häkkinen, Antti; Ribeiro, Andre S

    2016-01-01

    Gene expression dynamics in prokaryotes is largely controlled by the multi-step process of transcription initiation whose kinetics is subject to regulation. Since the number and duration of these steps cannot be currently measured in vivo, we propose a novel method for estimating them from time series of RNA numbers in individual cells. We demonstrate the method's applicability on measurements of fluorescence-tagged RNA molecules in Escherichia coli cells, and compare with a previous method. We show that the results of the two methods agree for equal data. We also show that, when incorporating additional data, the new method produces significantly different estimates, which are in closer agreement with qPCR measurements. Unlike the previous method, the new method requires no preprocessing of the RNA numbers, using maximal information from the RNA time series. In addition, it can use data outside of the observed RNA productions. Overall, the new method characterizes the transcription initiation process with enhanced detail. PMID:26522167

  9. Crystallization kinetics of lithium niobate glass: determination of the Johnson-Mehl-Avrami-Kolmogorov parameters.

    PubMed

    Choi, H W; Kim, Y H; Rim, Y H; Yang, Y S

    2013-06-28

    The formation of crystalline LiNbO3 (LN) from LN glass has been studied by means of differential scanning calorimetry and in situ synchrotron X-ray diffraction. The LN glass with no glass former was prepared by the polymerized complex method. The isothermal kinetics of the crystallization process is described using the Johnson-Mehl-Avrami-Kolmogorov (JMAK) equation and the Avrami exponent n is found to be ~2.0, indicating that the crystallization mechanism is diffusion-controlled growth with a decreasing nucleation rate. The effective activation energy of crystallization calculated from isothermal measurements is 6.51 eV. It is found that the LN glass directly transforms into a rhombohedral LN crystal without any intermediate crystalline phase and most crystal grains are confined within the size of ~40 nm irrespective of different isothermal temperatures. Application of JMAK theory to the non-isothermal thermoanalytical study of crystallization of LN glass is discussed. PMID:23677338

  10. Separating the Kinetic and Sorption Parameters of Mixed Chlorinated Solvents in Contact with Granular Iron

    E-print Network

    Huang, Bei

    2011-08-31

    .................................................................................................................. XIV TABLE H.1: INPUT PARAMETERS FOR T-KIM CALCULATION IN EXCEL. .......................... XXIII TABLE H.2 EQUATIONS TO CALCULATE COMPOUND INPUT PARAMETERS IN T-KIM. ..... XXIV TABLE H.3 FINAL TOUCHES TO T-KIM IN EXCEL WITH TYPED FORMULAS AT TOP...). Reductive transformations may also be engineered by reactions with zinc (Jursic and Melara, 1999; Lin and Tseng, 2000; Kim 4 and Carraway, 2003; Wang et al., 2008), metallic iron, Fe2+ ion, or electrochemical means (Lin and Tseng, 2000). Granular...

  11. Kinetics Parameters of VVER-1000 Core with 3 MOX Lead Test Assemblies To Be Used for Accident Analysis Codes

    SciTech Connect

    Pavlovitchev, A.M.

    2000-03-08

    The present work is a part of Joint U.S./Russian Project with Weapons-Grade Plutonium Disposition in VVER Reactor and presents the neutronics calculations of kinetics parameters of VVER-1000 core with 3 introduced MOX LTAs. MOX LTA design has been studied in [1] for two options of MOX LTA: 100% plutonium and of ''island'' type. As a result, zoning i.e. fissile plutonium enrichments in different plutonium zones, has been defined. VVER-1000 core with 3 introduced MOX LTAs of chosen design has been calculated in [2]. In present work, the neutronics data for transient analysis codes (RELAP [3]) has been obtained using the codes chain of RRC ''Kurchatov Institute'' [5] that is to be used for exploitation neutronics calculations of VVER. Nowadays the 3D assembly-by-assembly code BIPR-7A and 2D pin-by-pin code PERMAK-A, both with the neutronics constants prepared by the cell code TVS-M, are the base elements of this chain. It should be reminded that in [6] TVS-M was used only for the constants calculations of MOX FAs. In current calculations the code TVS-M has been used both for UOX and MOX fuel constants. Besides, the volume of presented information has been increased and additional explications have been included. The results for the reference uranium core [4] are presented in Chapter 2. The results for the core with 3 MOX LTAs are presented in Chapter 3. The conservatism that is connected with neutronics parameters and that must be taken into account during transient analysis calculations, is discussed in Chapter 4. The conservative parameters values are considered to be used in 1-point core kinetics models of accident analysis codes.

  12. Sensitivity analysis of large system of chemical kinetic parameters for engine combustion simulation

    SciTech Connect

    Hsieh, H; Sanz-Argent, J; Petitpas, G; Havstad, M; Flowers, D

    2012-04-19

    In this study, the authors applied the state-of-the art sensitivity methods to downselect system parameters from 4000+ to 8, (23000+ -> 4000+ -> 84 -> 8). This analysis procedure paves the way for future works: (1) calibrate the system response using existed experimental observations, and (2) predict future experiment results, using the calibrated system.

  13. Treatment of biodiesel wastewater by adsorption with commercial chitosan flakes: parameter optimization and process kinetics.

    PubMed

    Pitakpoolsil, Wipawan; Hunsom, Mali

    2014-01-15

    The possibility of using commercial chitosan flakes as an adsorbent for the removal of pollutants from biodiesel wastewater was evaluated. The effect of varying the adsorption time (0.5-5 h), initial wastewater pH (2-8), adsorbent dose (0.5-5.5 g/L) and mixing rate (120-350 rpm) on the efficiency of pollutant removal was explored by univariate analysis. Under the derived optimal conditions, greater than 59.3%, 87.9% and 66.2% of the biological oxygen demand (BOD), chemical oxygen demand (COD) and oil & grease, respectively, was removed by a single adsorption. Nevertheless, the remaining BOD, COD and oil & grease were still higher than the acceptable Thai government limits for discharge into the environment. When the treatment was repeated, a greater than 93.6%, 97.6% and 95.8% removal of the BOD, COD and oil & grease, respectively, was obtained. The reusability of commercial chitosan following NaOH washing (0.05-0.2 M) was not suitable, with less than 40% efficiency after just one recycling and declining rapidly thereafter. The adsorption kinetics of all pollutant types by the commercial chitosan flakes was controlled by a mixed process of diffusion and adsorption of the pollutants during the early treatment period (0-1.5 h) and then solely controlled by adsorption after 2 h. PMID:24412591

  14. Catalytic hydrodeoxygenation of methyl-substituted phenols: correlations of kinetic parameters with molecular properties.

    PubMed

    Massoth, F E; Politzer, P; Concha, M C; Murray, J S; Jakowski, J; Simons, Jack

    2006-07-27

    The hydrodeoxygenation of methyl-substituted phenols was carried out in a flow microreactor at 300 degrees C and 2.85 MPa hydrogen pressure over a sulfided CoMo/Al(2)O(3) catalyst. The primary reaction products were methyl-substituted benzene, cyclohexene, cyclohexane, and H(2)O. Analysis of the results suggests that two independent reaction paths are operative, one leading to aromatics and the other to partially or completely hydrogenated cyclohexanes. The reaction data were analyzed using Langmuir-Hinshelwood kinetics to extract the values of the reactant-to-catalyst adsorption constant and of the rate constants characterizing the two reaction paths. The adsorption constant was found to be the same for both reactions, suggesting that a single catalytic site center is operative in both reactions. Ab initio electronic structure calculations were used to evaluate the electrostatic potentials and valence orbital ionization potentials for all of the substituted phenol reactants. Correlations were observed between (a) the adsorption constant and the two reaction rate constants measured for various methyl-substitutions and (b) certain moments of the electrostatic potentials and certain orbitals' ionization potentials of the isolated phenol molecules. On the basis of these correlations to intrinsic reactant-molecule properties, a reaction mechanism is proposed for each pathway, and it is suggested that the dependencies of adsorption and reaction rates upon methyl-group substitution are a result of the substituents' effects on the electrostatic potential and orbitals rather than geometric (steric) effects. PMID:16854134

  15. Deciphering the impact of parameters influencing transgene expression kinetics after repeated cell transduction with integration-deficient retroviral vectors.

    PubMed

    Schott, Juliane W; Jaeschke, Nico M; Hoffmann, Dirk; Maetzig, Tobias; Ballmaier, Matthias; Godinho, Tamaryin; Cathomen, Toni; Schambach, Axel

    2015-05-01

    Lentiviral and gammaretroviral vectors are state-of-the-art tools for transgene expression within target cells. The integration of these vectors can be deliberately suppressed to derive a transient gene expression system based on extrachromosomal circular episomes with intact coding regions. These episomes can be used to deliver DNA templates and to express RNA or protein. Importantly, transient gene transfer avoids the genotoxic side effects of integrating vectors. Restricting their applicability, episomes are rapidly lost upon dilution in dividing target cells. Addressing this limitation, we could establish comparably stable percentages of transgene-positive cells over prolonged time periods in proliferating cells by repeated transductions. Flow cytometry was applied for kinetic analyses to decipher the impact of individual parameters on the kinetics of fluoroprotein expression after episomal retransduction and to visualize sequential and simultaneous transfer of heterologous fluoroproteins. Expression windows could be exactly timed by the number of transduction steps. The kinetics of signal loss was affected by the cell proliferation rate. The transfer of genes encoding fluoroproteins with different half-lives revealed a major impact of protein stability on temporal signal distribution and accumulation, determining optimal retransduction intervals. In addition, sequential transductions proved broad applicability in different cell types and using different envelope pseudotypes without receptor overload. Stable percentages of cells coexpressing multiple transgenes could be generated upon repeated coadministration of different episomal vectors. Alternatively, defined patterns of transgene expression could be recapitulated by sequential transductions. Altogether, we established a methodology to control and adjust a temporally defined window of transgene expression using retroviral episomal vectors. Combined with the highly efficient cell entry of these vectors while avoiding integration, the developed technology is of great significance for a broad panel of applications, including transcription-factor-based induced cell fate conversion and controlled transfer of genetically encoded RNA- or protein-based drugs. PMID:25728583

  16. Malonic acid concentration as a control parameter in the kinetic analysis of the Belousov-Zhabotinsky reaction under batch conditions.

    PubMed

    Blagojevi?, Slavica M; Ani?, Slobodan R; Cupi?, Zeljko D; Peji?, Natasa D; Kolar-Ani?, Ljiljana Z

    2008-11-28

    The influence of the initial malonic acid concentration [MA]0 (8.00 x 10(-3) < or = [MA]0 < or = 4.30 x 10(-2) mol dm(-3)) in the presence of bromate (6.20 x 10(-2) mol dm(-3)), bromide (1.50 x 10(-5) mol dm(-3)), sulfuric acid (1.00 mol dm(-3)) and cerium sulfate (2.50 x 10(-3) mol dm(-3)) on the dynamics and the kinetics of the Belousov-Zhabotinsky (BZ) reactions was examined under batch conditions at 30.0 degrees C. The kinetics of the BZ reaction was analyzed by the earlier proposed method convenient for the examinations of the oscillatory reactions. In the defined region of parameters where oscillograms with only large-amplitude relaxation oscillations appeared, the pseudo-first order of the overall malonic acid decomposition with a corresponding rate constant of 2.14 x 10(-2) min(-1) was established. The numerical results on the dynamics and kinetics of the BZ reaction, carried out by the known skeleton model including the Br2O species, were in good agreement with the experimental ones. The already found saddle node infinite period (SNIPER) bifurcation point in transition from a stable quasi-steady state to periodic orbits and vice versa is confirmed by both experimental and numerical investigations of the system under consideration. Namely, the large-amplitude relaxation oscillations with increasing periods between oscillations in approaching the bifurcation points at the beginning and the end of the oscillatory domain, together with excitability of the stable quasi-steady states in their vicinity are obtained. PMID:18989478

  17. Kinetic and stoichiometric parameters in the production of carotenoids by Sporidiobolus salmonicolor (CBS 2636) in synthetic and agroindustrial media.

    PubMed

    Valduga, Eunice; Valério, Alexsandra; Treichel, Helen; Furigo Júnior, Agenor; Di Luccio, Marco

    2009-04-01

    With the objective of determining the kinetic behavior (growth, substrate, pH, and carotenoid production) and obtain the stoichiometric parameters of the fermentative process by Sporidiobolus salmonicolor in synthetic and agroindustrial media, fermentations were carried out in shaken flasks at 25 degrees C, 180 rpm, and initial pH of 4.0 for 120 h in the dark, sampling every 6 h. The maximum concentrations of total carotenoids in synthetic (913 microg/L) and agroindustrial (502 microg/L) media were attained approximately 100 h after the start of the fermentative process. Carotenoid bioproduction is associated with cell growth and the ratio between carotenoid production and cell growth (Y (P/X)) is 176 and 163 microg/g in the synthetic and agroindustrial media, respectively. The pH of the agroindustrial fermentation medium varied from 4.2 to 8.5 during the fermentation. The specific growth rate (micro (X)) for S. salmonicolor in synthetic and agroindustrial media was 0.07 and 0.04 h(-1), respectively. The synthetic medium allowed for greater productivity, obtaining maximum cell productivity (P (x)) of 0.08 g L(-1) h(-1) and maximum total carotenoid productivity (P (car)) of 14.2 microg L(-1) h(-1). Knowledge of the kinetics of a fermentative process is of extreme importance when transposing a laboratory experiment to an industrial scale, as well as making a quantitative comparison between different culture conditions. PMID:18841498

  18. Determination of kinetic parameters of crystal growth rate of borax in aqueous solution by using the rotating disc technique

    NASA Astrophysics Data System (ADS)

    Sahin, Omer; Aslan, Fevzi; Ozdemir, Mustafa; Durgun, Mustafa

    2004-10-01

    Growth rate of polycrystalline disc of borax compressed at different pressure and rotated at various speed has been measured in a rotating disc crystallizer under well-defined conditions of supersaturation. It was found that the mass transfer coefficient, K, increased while overall growth rate constant, Kg, and surface reaction constant, kr, decreased with increasing smoothness of the disc. It was also determined that kinetic parameters (kr , r , K , g) of crystal growth rate of borax decreased with increasing rotating speed of the polycrystalline disc. The effectiveness factor was calculated from the growth rate data to evaluate the relative magnitude of the steps in series bulk diffusion through the mass transfer boundary layer and the surface integration. At low rotating speed of disc, the crystal growth rate of borax is mainly controlled by integration. However, both diffusion and integration steps affect the growth rate of borax at higher rotating speed of polycrystalline disc.

  19. Application of artificial neural networks and DFT-based parameters for prediction of reaction kinetics of ethylbenzene dehydrogenase.

    PubMed

    Szaleniec, Maciej; Witko, Ma?gorzata; Tadeusiewicz, Ryszard; Goclon, Jakub

    2006-03-01

    Artificial neural networks (ANNs) are used for classification and prediction of enzymatic activity of ethylbenzene dehydrogenase from EbN1 Azoarcus sp. bacterium. Ethylbenzene dehydrogenase (EBDH) catalyzes stereo-specific oxidation of ethylbenzene and its derivates to alcohols, which find its application as building blocks in pharmaceutical industry. ANN systems are trained based on theoretical variables derived from Density Functional Theory (DFT) modeling, topological descriptors, and kinetic parameters measured with developed spectrophotometric assay. Obtained models exhibit high degree of accuracy (100% of correct classifications, correlation between predicted and experimental values of reaction rates on the 0.97 level). The applicability of ANNs is demonstrated as useful tool for the prediction of biochemical enzyme activity of new substrates basing only on quantum chemical calculations and simple structural characteristics. Multi Linear Regression and Molecular Field Analysis (MFA) are used in order to compare robustness of ANN and both classical and 3D-quantitative structure-activity relationship (QSAR) approaches. PMID:16779618

  20. Estimation of transport and degradation parameters for naphthalene and anthracene: influence of mass transfer on kinetics.

    PubMed

    Owabor, Chiedu N; Ogbeide, Samuel E; Susu, Alfred A

    2010-10-01

    The method of temporal moment solutions (MOM) for one-dimensional convective-dispersive solute transport involving linear equilibrium sorption and first-order degradation for time pulse sources has been applied to analyze experimental data from a soil microcosm reactor. Estimation of the pore water velocity V for a nonreactive solute was aided by the use of only the first normalized moment while the dispersion coefficient D, first-order degradation rate constant lambda, and the retardation factor R were estimated using both first and second normalized moments. These transport and degradation parameters were compared to those obtained by a transport model using a nonlinear least square curve-fitting program CXTFIT (version 2.0). Results obtained showed that the MOM fits the breakthrough curve with tailing better than the CXTFIT. The initial estimates of these parameters aided the reduction of the dimensionality of the search process of the non- steady-state model. A residual concentration of 1.12E-5 and 1.48 mg/l for naphthalene and 7.67E-4 and 1.61 mg/l for anthracene, in the axial and radial directions, respectively, suggests the preference of naphthalene during the biodegradation process. The surface concentration as depicted using three-dimensional plots showed that there is occlusion of the aromatics (naphthalene and anthracene) within the soil micropores, thereby limiting their bioavailability and in the long run increasing their toxicity. PMID:19911293

  1. Interactive effects of elevated CO2 concentration and irrigation on photosynthetic parameters and yield of maize in Northeast China.

    PubMed

    Meng, Fanchao; Zhang, Jiahua; Yao, Fengmei; Hao, Cui

    2014-01-01

    Maize is one of the major cultivated crops of China, having a central role in ensuring the food security of the country. There has been a significant increase in studies of maize under interactive effects of elevated CO2 concentration ([CO2]) and other factors, yet the interactive effects of elevated [CO2] and increasing precipitation on maize has remained unclear. In this study, a manipulative experiment in Jinzhou, Liaoning province, Northeast China was performed so as to obtain reliable results concerning the later effects. The Open Top Chambers (OTCs) experiment was designed to control contrasting [CO2] i.e., 390, 450 and 550 µmol·mol(-1), and the experiment with 15% increasing precipitation levels was also set based on the average monthly precipitation of 5-9 month from 1981 to 2010 and controlled by irrigation. Thus, six treatments, i.e. C550W+15%, C550W0, C450W+15%, C450W0, C390W+15% and C390W0 were included in this study. The results showed that the irrigation under elevated [CO2] levels increased the leaf net photosynthetic rate (Pn) and intercellular CO2 concentration (Ci) of maize. Similarly, the stomatal conductance (Gs) and transpiration rate (Tr) decreased with elevated [CO2], but irrigation have a positive effect on increased of them at each [CO2] level, resulting in the water use efficiency (WUE) higher in natural precipitation treatment than irrigation treatment at elevated [CO2] levels. Irradiance-response parameters, e.g., maximum net photosynthetic rate (Pnmax) and light saturation points (LSP) were increased under elevated [CO2] and irrigation, and dark respiration (Rd) was increased as well. The growth characteristics, e.g., plant height, leaf area and aboveground biomass were enhanced, resulting in an improved of yield and ear characteristics except axle diameter. The study concluded by reporting that, future elevated [CO2] may favor to maize when coupled with increasing amount of precipitation in Northeast China. PMID:24848097

  2. Kinetics and product yields of the acetyl peroxy + HO2 radical reaction studied by photoionization mass spectrometry

    NASA Astrophysics Data System (ADS)

    Dodson, L. G.; Shen, L.; Savee, J. D.; Eddingsaas, N. C.; Welz, O.; Taatjes, C. A.; Osborn, D. L.; Sander, S. P.; Okumura, M.

    2013-12-01

    The acetyl peroxy radical (CH3C(O)O2) is a key intermediate in the oxidation of carbonyl-containing hydrocarbons in the troposphere. Reaction of acetyl peroxy radicals with HO2 has been suggested as a source of OH radicals in low-NOx environments. Previous work on this reaction observed only two product channels forming (1) peracetic acid and (2) acetic acid. Recent experiments have shown that there is a third channel that generates the radicals OH and acetoxy: CH3C(O)O2 + HO2 ? (1) CH3C(O)OOH + O2 (2) CH3C(O)OH + O3 (3) CH3C(O)O + O2 + OH This last pathway to OH formation would then contribute to the apparent isoprene OH recycling suggested by discrepancies between atmospheric models and field observations of OH. There have, however, been significant disagreements among experiments on the yield of OH from reaction of acetyl peroxy radicals with HO2. We report our preliminary studies of acetyl peroxy self-reaction and its reaction with HO2 at 298 K and 8 Torr. Experiments were conducted at the Advanced Light Source synchrotron at the Lawerence Berkeley National Laboratory using tunable VUV ionizing radiation coupled to the Sandia National Laboratory pulsed-laser-photolysis multiplexed photoionization mass spectrometer to detect the time- and isomer-resolved formation of radical intermediates and products. From these results, we report new branching fractions of the three product channels in the acetyl peroxy + HO2 radical reaction.

  3. Temperature dependence on hydration kinetic model parameters during rehydration of parboiled rice.

    PubMed

    Rafiq, Aasima; Chowdhary, Juri; Hazarika, Manuj Kumar; Makroo, Hilal Ahmad

    2015-09-01

    A study was carried out to relate the hydration behaviour with processing conditions of low amylose content parboiled rice which was dried at various temperatures (40, 50 and 60 °C). The rehydration characteristics of the parboiled rice (dehusked only) was then studied at various soaking temperatures (30, 40 and 50 °C) and time ( upto 3 h at every 30 min interval) and equilibrium moisture content of rehydration (EMC) was determined. The data were tested on three hydration equations viz., Peleg's, Exponential and Weibull equations. The experimental data were used to determine the model parameters. The goodness of fit for the models were evaluated by coefficient of determination (R(2)) and sum of square error (SSE). The results were indicated that the Weibull model fits better than the exponential model and Peleg's equation. Also, water transfer to paddy, was described by applying the Fick's diffusion model and the moisture diffusivity (D) was calculated. The Diffusivity values varied between 1.06 and 4?×?10(-11) m(2)/s. PMID:26345034

  4. Effects of growth parameters on the yield and morphology of Si{sub 3}N{sub 4} microcoils prepared by chemical vapor deposition

    SciTech Connect

    Du, Hongli; Zhang, Wei; Li, Yan

    2014-02-01

    Highlights: • CVD method was successfully applied to obtain Si{sub 3}N{sub 4} microcoils in high yield without the presence of catalyst. • The process was systematically investigated through a series of control experiments. • The effects of synthesis parameters on the yield and morphology of Si{sub 3}N{sub 4} microcoils were found. • The growth mechanism of the Si{sub 3}N{sub 4} microcoils could be explained by the different growth rates between the amorphous layer and the crystalline layer. - Abstract: In this study, we provided a reliable chemical vapor deposition (CVD) method to synthesize high-purity Si{sub 3}N{sub 4} microcoils in high yield without the presence of catalyst. The achieved products were characterized by X-ray diffraction, scanning electron microscopy, and transmission electron microscope. The results indicated that the yield and morphology of Si{sub 3}N{sub 4} products were influenced by the synthesis parameters such as reaction temperature, reaction time and gas flow rate. The particular conditions favorable to high yield synthesis of Si{sub 3}N{sub 4} microcoils were obtained through a series of control experiments. Furthermore, the growth of Si{sub 3}N{sub 4} microcoils was supposed to be in accord with vapor-solid (VS) growth process and the different growth rates between the amorphous layer and the crystalline layer were used to explain the formation of the coil geometry.

  5. Contribution of counterions and degree of ionization for birefringence creation and relaxation kinetics parameters of PAH/PAZO films

    NASA Astrophysics Data System (ADS)

    Raposo, Maria; Ferreira, Quirina; Monteiro Timóteo, Ana Rita; Ribeiro, Paulo A.; do Rego, Ana Maria Botelho

    2015-09-01

    Photo induced birefringent materials can be used to develop optical and conversion energy devices, and consequently, the study of the variables that influences the creation and relaxation of birefringence should be carefully analyzed. In this work, the parameters of birefringence creation and relaxation kinetics curves obtained on layer-by-layer (LBL) films, prepared from azo-polyectrolyte poly[1-[4-(3-carboxy-4 hydroxyphenylazo) benzene sulfonamido]-1,2-ethanediyl, sodium salt] (PAZO) and poly(allylamine hydrochloride)(PAH), are related with the presence of counterions and the degree of ionization of the polyelectrolytes. Those kinetics curves obtained on PAH/PAZO LBL films, prepared from PAH solutions with different pHs and maintaining the pH of PAZO solution constant at pH = 9, were analyzed taking into account the films composition which was characterized by X-ray photoelectron spectroscopy. The creation and relaxation birefringence curves are justified by two processes: one associated to local mobility of the azobenzene with a characteristic time 30 s and intensity constant and other associated with polymeric chains mobility with the characteristic time and intensity decreasing with pH. These results allow us to conclude that the birefringence creation process, associated to local mobility of azobenzenes is independent of the degree of ionization and of number of counterions or co-ions present while the birefringence creation process associated to mobility of chains have its characteristic time and intensity dependent of both degree of ionization and number of counterions. The birefringence relaxation processes are dependent of the degree of ionization. The analysis of the films composition revealed, in addition, the presence of a protonated secondary or tertiary amine revealing that PAZO may have positive charges and consequently a zwitterionic behavior.

  6. TU-C-12A-11: Comparisons Between Cu-ATSM PET and DCE-CT Kinetic Parameters in Canine Sinonasal Tumors

    SciTech Connect

    La Fontaine, M; Bradshaw, T; Kubicek, L; Forrest, L; Jeraj, R

    2014-06-15

    Purpose: Regions of poor perfusion within tumors may be associated with higher hypoxic levels. This study aimed to test this hypothesis by comparing measurements of hypoxia from Cu-ATSM PET to vasculature kinetic parameters from DCE-CT kinetic analysis. Methods: Ten canine patients with sinonasal tumors received one Cu-ATSM PET/CT scan and three DCE-CT scans prior to treatment. Cu-ATSM PET/CT and DCE-CT scans were registered and resampled to matching voxel dimensions. Kinetic analysis was performed on DCE-CT scans and for each patient, the resulting kinetic parameter values from the three DCE-CT scans were averaged together. Cu-ATSM SUVs were spatially correlated (r{sub spatial}) on a voxel-to-voxel basis against the following DCE-CT kinetic parameters: transit time (t{sub 1}), blood flow (F), vasculature fraction (v{sub 1}), and permeability (PS). In addition, whole-tumor comparisons were performed by correlating (r{sub ROI}) the mean Cu-ATSM SUV (SUV{sub mean}) with median kinetic parameter values. Results: The spatial correlations (r{sub spatial}) were poor and ranged from -0.04 to 0.21 for all kinetic parameters. These low spatial correlations may be due to high variability in the DCE-CT kinetic parameter voxel values between scans. In our hypothesis, t{sub 1} was expected to have a positive correlation, while F was expected to have a negative correlation to hypoxia. However, in wholetumor analysis the opposite was found for both t{sub 1} (r{sub ROI} = -0.25) and F (r{sub ROI} = 0.56). PS and v{sub 1} may depict angiogenic responses to hypoxia and found positive correlations to Cu-ATSM SUV for PS (r{sub ROI} = 0.41), and v{sub 1} (r{sub ROI} = 0.57). Conclusion: Low spatial correlations were found between Cu-ATSM uptake and DCE-CT vasculature parameters, implying that poor perfusion is not associated with higher hypoxic regions. Across patients, the most hypoxic tumors tended to have higher blood flow values, which is contrary to our initial hypothesis. Funding: R01 CA136927.

  7. Genetic parameters for test-day yield of milk, fat and protein in buffaloes estimated by random regression models.

    PubMed

    Aspilcueta-Borquis, Rúsbel R; Araujo Neto, Francisco R; Baldi, Fernando; Santos, Daniel J A; Albuquerque, Lucia G; Tonhati, Humberto

    2012-08-01

    The test-day yields of milk, fat and protein were analysed from 1433 first lactations of buffaloes of the Murrah breed, daughters of 113 sires from 12 herds in the state of São Paulo, Brazil, born between 1985 and 2007. For the test-day yields, 10 monthly classes of lactation days were considered. The contemporary groups were defined as the herd-year-month of the test day. Random additive genetic, permanent environmental and residual effects were included in the model. The fixed effects considered were the contemporary group, number of milkings (1 or 2 milkings), linear and quadratic effects of the covariable cow age at calving and the mean lactation curve of the population (modelled by third-order Legendre orthogonal polynomials). The random additive genetic and permanent environmental effects were estimated by means of regression on third- to sixth-order Legendre orthogonal polynomials. The residual variances were modelled with a homogenous structure and various heterogeneous classes. According to the likelihood-ratio test, the best model for milk and fat production was that with four residual variance classes, while a third-order Legendre polynomial was best for the additive genetic effect for milk and fat yield, a fourth-order polynomial was best for the permanent environmental effect for milk production and a fifth-order polynomial was best for fat production. For protein yield, the best model was that with three residual variance classes and third- and fourth-order Legendre polynomials were best for the additive genetic and permanent environmental effects, respectively. The heritability estimates for the characteristics analysed were moderate, varying from 0·16±0·05 to 0·29±0·05 for milk yield, 0·20±0·05 to 0·30±0·08 for fat yield and 0·18±0·06 to 0·27±0·08 for protein yield. The estimates of the genetic correlations between the tests varied from 0·18±0·120 to 0·99±0·002; from 0·44±0·080 to 0·99±0·004; and from 0·41±0·080 to 0·99±0·004, for milk, fat and protein production, respectively, indicating that whatever the selection criterion used, indirect genetic gains can be expected throughout the lactation curve. PMID:22444071

  8. Carbon reaction and diffusion on Ni(111), Ni(100), and Fe(110): Kinetic parameters from x-ray photoelectron spectroscopy and density functional theory analysis

    SciTech Connect

    Wiltner, A.; Linsmeier, Ch.; Jacob, T.

    2008-08-28

    This paper investigates the reactivity of elemental carbon films deposited from the vapor phase with Fe and Ni substrates at room temperature. X-ray photoelectron spectroscopy (XPS) measurements are presented as a method for evaluating kinetic reaction data. Carbon films are deposited on different surface orientations representing geometries from a dense atom packing as in fcc (111) to an open surface structure as in fcc (100). During annealing experiments several reactions are observed (carbon subsurface diffusion, carbide formation, carbide decomposition, and graphite ordering). These reactions and the respective kinetic parameters are analyzed and quantified by XPS measurements performed while annealing at elevated temperatures (620-820 K). The resulting activation barriers for carbon subsurface diffusion are compared with calculated values using the density functional theory. The determined kinetic parameters are used to reproduce the thermal behavior of carbon films on nickel surfaces.

  9. Reliable determination of kinetics parameters of adatoms in thin-film epitaxy Department of Physics, University of California at Davis, One Shields Avenue, Davis, California 95616-8677

    E-print Network

    Zhu, Xiangdong

    -edge energy barrier Estep Schwoebel-Ehrlich barrier . One may reliably determine these kinetics parameters of an adatom arriving at the edge of a terrace, and the extra energy barriers for an adatom to descend the edge growth through nucleation and growth and coalescence of monoatomically high islands to a step- flow

  10. Infrared warming reduced winter wheat yields and some physiological parameters, which were mitigated by irrigation and worsened by delayed sowing.

    PubMed

    Fang, Shibo; Su, Hua; Liu, Wei; Tan, Kaiyan; Ren, Sanxue

    2013-01-01

    Winter wheat has a central role in ensuring the food security and welfare of 1.3 billion people in China. Extensive previous studies have concluded that winter wheat yields would decrease with higher temperatures, owing to warming-induced soil drying or shortening of phenophase. Temperature in China is predicted to increase by 1-5°C by 2100, which may greatly impact plant production and cause other negative effects. We performed a manipulative field experiment, creating diverse growth regimes for wheat by infrared radiation (IR) warming day and night, including IR warming only (DW), IR warming + delayed sowing dates (DS), IR warming + increased irrigation (IW), and a control (CK). The results show that IR warming increased daily average wheat canopy and soil temperatures by 2.0°C and 2.3°C, respectively. DW was associated with an advanced maturity of 10 days and yield reduction of 8.2%. IR-warming effects on the photosynthetic apparatus of wheat varied with season as well as significant differences were found in the booting stage. DS represented a worsened situation, lowering yield per plant by 16.4%, with a significant decline in aboveground biomass and functional leaf area. Wheat under DS showed double-peak patterns of diurnal gas exchange during booting stages and, consequently, lower photosynthetic capacity with high transpiration for cooling. Significantly lower actual water use efficiency and intrinsic water use efficiency from jointing to anthesis stages were also found under DS. However, IW had no significant difference from CK, irrespective of yield and photosynthesis. Therefore, we concluded that delayed sowing date may not be a good choice for winter wheat, whereas a thoroughly-watered wheat agroecosystem should be promoted in the context of global warming. PMID:23874424

  11. Olive oil pilot-production assisted by pulsed electric field: impact on extraction yield, chemical parameters and sensory properties.

    PubMed

    Puértolas, Eduardo; Martínez de Marañón, Iñigo

    2015-01-15

    The impact of the use of pulsed electric field (PEF) technology on Arroniz olive oil production in terms of extraction yield and chemical and sensory quality has been studied at pilot scale in an industrial oil mill. The application of a PEF treatment (2 kV/cm; 11.25 kJ/kg) to the olive paste significantly increased the extraction yield by 13.3%, with respect to a control. Furthermore, olive oil obtained by PEF showed total phenolic content, total phytosterols and total tocopherols significantly higher than control (11.5%, 9.9% and 15.0%, respectively). The use of PEF had no negative effects on general chemical and sensory characteristics of the olive oil, maintaining the highest quality according to EU legal standards (EVOO; extra virgin olive oil). Therefore, PEF could be an appropriate technology to improve olive oil yield and produce EVOO enriched in human-health-related compounds, such as polyphenols, phytosterols and tocopherols. PMID:25149017

  12. Effect of simultaneous inoculation with yeast and bacteria on fermentation kinetics and key wine parameters of cool-climate chardonnay.

    PubMed

    Jussier, Delphine; Dubé Morneau, Amélie; Mira de Orduña, Ramón

    2006-01-01

    Inoculating grape musts with wine yeast and lactic acid bacteria (LAB) concurrently in order to induce simultaneous alcoholic fermentation (AF) and malolactic fermentation (MLF) can be an efficient alternative to overcome potential inhibition of LAB in wines because of high ethanol concentrations and reduced nutrient content. In this study, the simultaneous inoculation of yeast and LAB into must was compared with a traditional vinification protocol, where MLF was induced after completion of AF. For this, two suitable commercial yeast-bacterium combinations were tested in cool-climate Chardonnay must. The time courses of glucose and fructose, acetaldehyde, several organic acids, and nitrogenous compounds were measured along with the final values of other key wine parameters. Sensory evaluation was done after 12 months of storage. The current study could not confirm a negative impact of simultaneous AF/MLF on fermentation success and kinetics or on final wine parameters. While acetic acid concentrations were slightly increased in wines after simultaneous AF/MLF, the differences were of neither practical nor legal significance. No statistically significant differences were found with regard to the final values of pH or total acidity and the concentrations of ethanol, acetaldehyde, glycerol, citric and lactic acids, and the nitrogen compounds arginine, ammonia, urea, citrulline, and ornithine. Sensory evaluation by a semiexpert panel confirmed the similarity of the wines. However, simultaneous inoculation led to considerable reductions in overall fermentation durations. Furthermore, differences of physiological and microbiological relevance were found. Specifically, we report the vinification of "super-dry" wines devoid of glucose and fructose after simultaneous inoculation of yeast and bacteria. PMID:16391046

  13. Study of kinetic parameters and development of a voltammetric sensor for the determination of butylated hydroxyanisole (BHA) in oil samples.

    PubMed

    Thomas, Divya; Rasheed, Zafna; Jagan, Jesny Siri; Kumar, Krishnapillai Girish

    2015-10-01

    Electrochemical behavior of artificial antioxidant, butylated hydroxyanisole (BHA), was investigated at a glassy carbon electrode modified with poly L- cysteine [poly (L- Cys/GCE)]. BHA exhibits a pair of well - defined redox peak on L- cysteine modified GCE with Epa?=?69 mV and Epc?=?4 mV. The modified electrode showed good electrocatalytic activity towards the oxidation of BHA under optimal conditions and exhibited a linear response in the range from 1.0?×?10(-5) to 1.0?×?10(-6) M with a correlation coefficient of 0.998. The limit of detection was found to be 4.1?×?10(-7) M. The kinetics parameters of the proposed sensor such as heterogeneous electron transfer rate, k s , and charge transfer coefficient,?, was calculated and found to be 1.20 s(-1) and 0.575 respectively. The average surface concentration of BHA on the surface of poly (L- Cys/GCE) was calculated to be 3.18?×?10(-4) mol cm(-2). The analytical utility of the proposed sensor was evaluated by the successful determination of BHA in coconut oil and sesame oil samples. PMID:26396421

  14. A laser flash photolysis-resonance fluorescence kinetics study of the reaction Cl/2P/ + CH4 yields CH3 + HCl

    NASA Technical Reports Server (NTRS)

    Ravishankara, A. R.; Wine, P. H.

    1980-01-01

    The technique of laser flash photolysis-resonance fluorescence is employed to study the kinetics of the reaction Cl(2P) + CH4 yields CH3 + HCl over the temperature range 221-375 K. At temperatures less than or equal to 241 K the apparent bimolecular rate constant is found to be dependent upon the identity of the chemically inert gases in the reaction mixture. For Cl2/CH4/He reaction mixtures (total pressure = 50 torr) different bimolecular rate constants are measured at low and high methane concentrations. For Cl2/CH4/CCl/He and Cl2/CH4/Ar reaction mixtures, the bimolecular rate constant is independent of methane concentration, being approximately equal to the rate constant measured at low methane concentrations for Cl2/CH4/He mixtures. These rate constants are in good agreement with previous results obtained using the discharge flow-resonance fluorescence and competitive chlorination techniques. At 298 K the measured bimolecular rate constant is independent of the identity of the chemically inert gases in the reaction mixture and in good agreement with all previous investigations. The low-temperature results obtained in this investigation and all previous investigations can be rationalized in terms of a model which assumes that the Cl(2P 1/2) state reacts with CH4 much faster than the Cl(2P 3/2) state. Extrapolation of this model to higher temperatures, however, is not straightforward.

  15. Kinetic study of the reaction CH (X 2Pi) + H2 yields CH2 (X 3B1) + H in the temperature range 372 to 675 K

    NASA Technical Reports Server (NTRS)

    Zabarnick, S.; Fleming, J. W.; Lin, M. C.

    1986-01-01

    The kinetics of the reversible reaction CH (X 2Pi) + H2 yields CH2 (X 3B1) + H at 372-675 K and total pressure 100 torr (mainly Ar) is investigated experimentally. The ground-state CH radicals are produced by photolysis of CHBr3 using 10-mJ 266-nm laser pulses (repetition rate 10 Hz) and monitored by measuring the fluorescence induced by a 429.8-nm dye laser, in the apparatus described by Berman et al. (1982) and Berman and Lin (1984). The results are presented in tables and graphs and characterized. The absolute rate constants for the forward and reverse reactions are determined, and their temperature dependence is given by Arrhenius expressions and formulas obtained in transition-state-theory calculations. The heat of formation of CH2 at 0 K is estimated (assuming that the recombination reaction CH2 + H has zero activation energy) as 92.6 + or - 0.5 kcal/mol.

  16. Erbium hydride decomposition kinetics.

    SciTech Connect

    Ferrizz, Robert Matthew

    2006-11-01

    Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.

  17. Effects of ambient and elevated level of ozone on Brassica campestris L. with special reference to yield and oil quality parameters.

    PubMed

    Tripathi, Ruchika; Agrawal, S B

    2012-11-01

    Tropospheric ozone (O(3)) has become a serious threat to growth and yield of important agricultural crops over Asian regions including India. Effect of elevated O(3) (ambient+10ppb) was studied on Brassica campestris L. (cv. Sanjukta and Vardan) in open top chambers under natural field conditions. Eight hourly mean ambient O(3) concentration varied from 26.3ppb to 69.5ppb during the growth period. Plants under O(3) exposure showed reductions in photosynthetic rate, reproductive parameters, yield as well as seed and oil quality. Cultivar Sanjukta showed more reduction in photosynthetic characteristics, reproductive structures and seed and oil quality. However, total yield was more affected in Vardan. Exposure of O(3) increased the degree of unsaturation and level of PUFA, ?-6fatty acid, linolenic acid and erucic acid in oil indicating the deterioration of its quality. The study further confirmed that there is a correspondence between O(3) induced change in photosynthetic processes, reproductive development and yield and did not find any compensatory response in the final yield. PMID:22986091

  18. Effect of Tannin-Binding Agents (Polyethylene Glycol and Polyvinylpyrrolidone) Supplementation on In Vitro Gas Production Kinetics of Some Grape Yield Byproducts

    PubMed Central

    Besharati, Maghsoud; Taghizadeh, Akbar

    2011-01-01

    The effects of polyethylene glycol (PEG) and polyvinylpyrrolidone (PVP) on in vitro gas production characteristics, organic matter digestibility (OMD), and metabolizable energy (ME) contents of some grape yield byproducts were investigated. The gas production was recorded after 2, 4, 6, 8, 12, 16, 24, 36, and 48?h of incubation. The gas production profiles in triplicate fitted with equation Y = A (1 – e?ct). The data was analyzed using completely randomized design. Total phenol (TP) and total tannin (TT) contents were highest for raisin waste (RW). The TP content (g/kg DM) ranged from 30.1 in grape pomace (GP) to 96.3 in RW, which also had the higher TT (72.1?g/kg DM). The potential gas production (a + b) of DGB, GP, and RW were 239.43, 263.49, and 208.22?mL/g DM, respectively. In the absence of PEG and PVP, rate constant of gas production (c) for GP was highest among the feedstuffs (0.1073?mL/h), but in presence of PEG or PVP, RW had highest fraction (c) among the feedstuffs. Addition of PEG and PVP inactivated effects of tannins and increased gas production, ME, NE1, OMD, and VFA in grape yield byproducts. Addition of PEG and PVP could overcome adverse effects of tannins on nutrient availability as indicated by gas production parameters. PMID:23738107

  19. Systematics of Fission-Product Yields

    E-print Network

    Wahl, A C

    2002-01-01

    Empirical equations representing systematics of fission-product yields have been derived from experimental data. The systematics give some insight into nuclear-structure effects on yields, and the equations allow estimation of yields from fission of any nuclide with atomic number Z sub F = 90 thru 98, mass number A sub F = 230 thru 252, and precursor excitation energy (projectile kinetic plus binding energies) PE = 0 thru approx 200 MeV--the ranges of these quantities for the fissioning nuclei investigated. Calculations can be made with the computer program CYFP. Estimates of uncertainties in the yield estimates are given by equations, also in CYFP, and range from approx 15% for the highest yield values to several orders of magnitude for very small yield values. A summation method is used to calculate weighted average parameter values for fast-neutron (approx fission spectrum) induced fission reactions.

  20. Release kinetics, quantal parameters and their modulation during short-term depression at a developing synapse in the rat CNS

    PubMed Central

    Taschenberger, Holger; Scheuss, Volker; Neher, Erwin

    2005-01-01

    We have characterized developmental changes in the kinetics and quantal parameters of action potential (AP)-evoked neurotransmitter release during maturation of the calyx of Held synapse. Quantal size (q) and peak amplitudes of evoked EPSCs increased moderately, whereas the fraction of vesicles released by single APs decreased. During synaptic depression induced in postnatal day (P) 5–7 synapses by 10–100 Hz stimulation, q declined rapidly to 40–12% of its initial value. The decrease in q was generally smaller in more mature synapses (P12–14), but quite severe for frequencies ? 300 Hz. The stronger decline of q in immature synapses resulted from a slower recovery from desensitization, presumably due to delayed glutamate clearance. Recovery from this desensitization followed an exponential time course with a time constant of ?480 ms in P5–7 synapses, and sped up > 20-fold during maturation. Deconvolution analysis of EPSCs revealed a significant acceleration of the release time course during development, which was accompanied by a 2-fold increase of the peak release rate. During long 100 Hz trains, more mature synapses were able to sustain average rates of 8–10 quanta s?1 per active zone for phasic release. The rates of asynchronous vesicle release increased transiently > 35-fold immediately after such stimuli and decayed rapidly with an exponential time constant of ?50 ms to low resting levels of spontaneous release. However, even following extended periods of 100 Hz stimulation, the amount of asynchronous release was relatively minor with peak rates of less than 5% of the average rate of synchronous release measured at steady state during the tetani. Therefore, a multitude of mechanisms seems to converge on the generation of fast, temporally precise and reliable high-frequency transmission at the mature calyx of Held synapse. PMID:16096340

  1. Kinetics of nanopore transport

    E-print Network

    Tom Chou

    1998-01-31

    A nonlinear kinetic exclusion model is used to study osmosis and pressure driven flows through nearly single file pores such as antibiotic channels, aquaporins, zeolites and nanotubules. Two possible maxima in the steady state flux as a function of pore-solvent affinity are found. For small driving forces, the linear macroscopic osmotic and hydraulic permeabilities $P_{os}$ and $L_{p}$, are defined in terms of microscopic kinetic parameters. The dependences of the flux on activation energies, pore length and radius, and driving forces are explored and Arrhenius temperature dependences derived. Reasonable values for the physical parameters used in the analyses yield transport rates consistent with experimental measurements. Experimental consequences and interpretations are examined, and a straightforward extension to osmosis through disordered pores is given.

  2. Random regression test day models to estimate genetic parameters for milk yield and milk components in Philippine dairy buffaloes.

    PubMed

    Flores, E B; van der Werf, J

    2015-08-01

    Heritabilities and genetic correlations for milk production traits were estimated from first-parity test day records on 1022 Philippine dairy buffalo cows. Traits analysed included milk (MY), fat (FY) and protein (PY) yields, and fat (Fat%) and protein (Prot%) concentrations. Varying orders of Legendre polynomials (Leg(m)) as well as the Wilmink function (Wil) were used in random regression models. These various models were compared based on log likelihood, Akaike's information criterion, Bayesian information criterion and genetic variance estimates. Six residual variance classes were sufficient for MY, FY, PY and Fat%, while seven residual classes for Prot%. Multivariate analysis gave higher estimates of genetic variance and heritability compared with univariate analysis for all traits. Heritability estimates ranged from 0.25 to 0.44, 0.13 to 0.31 and 0.21 to 0.36 for MY, FY and PY, respectively. Wilmink's function was the better fitting function for additive genetic effects for all traits. It was also the preferred function for permanent environment effects for Fat% and Prot%, but for MY, FY and PY, the Legm was the appropriate function. Genetic correlations of MY with FY and PY were high and they were moderately negative with Fat% and Prot%. To prevent deterioration in Fat% and Prot% and improve milk quality, more weight should be applied to milk component traits. PMID:25727642

  3. Effect of farming systems on the yield, quality parameters and sensory properties of conventionally and organically grown potato (Solanum tuberosum L.) tubers.

    PubMed

    Brazinskiene, V; Asakaviciute, R; Miezeliene, A; Alencikiene, G; Ivanauskas, L; Jakstas, V; Viskelis, P; Razukas, A

    2014-02-15

    The objectives of this two-year research were to study the impact of two different farming types, conventional and organic, on the yield and sensory properties of five Lithuanian varieties of potato tuber. The parameters and properties examined were: phenolic acids; dry matter and starch content; and the spread and intensity of Phytophthora infestans growth. It was determined that potato yield fluctuates with the variety, but for conventional farming it is significantly (p<0.05) higher than that obtained by organic farming. The farming type has no significant effect (p>0.05) on the content of phenolic acids. No significant effect (p>0.05) of farming type on dry matter and starch content, or sensory properties was found. No significant relation (p>0.05) was found between the content of phenolic acids and P. infestans spread. The spread of P. infestans was faster and infection was heavier in organically grown potatoes. PMID:24128562

  4. Displacement cascades and defect annealing in tungsten, Part III: The sensitivity of cascade annealing in tungsten to the values of kinetic parameters

    SciTech Connect

    Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.; Roche, Kenneth J.; Kurtz, Richard J.; Wirth, Brian D.

    2015-07-01

    Object kinetic Monte Carlo (OKMC) simulations have been performed to investigate various aspects of cascade aging in bulk tungsten and to determine the sensitivity of the results to the kinetic parameters. The primary focus is on how the kinetic parameters affect the initial recombination of defects in the first few ns of a simulation. The simulations were carried out using the object kinetic Monte Carlo (OKMC) code KSOME (kinetic simulations of microstructure evolution), using a database of cascades obtained from results of molecular dynamics (MD) simulations at various primary knock-on atom (PKA) energies and directions at temperatures of 300, 1025 and 2050 K. The OKMC model was parameterized using defect migration barriers and binding energies from ab initio calculations. Results indicate that, due to the disparate mobilities of SIA and vacancy clusters in tungsten, annealing is dominated by SIA migration even at temperatures as high as 2050 K. For 100 keV cascades initiated at 300 K recombination is dominated by annihilation of large defect clusters. But for all other PKA energies and temperatures most of the recombination is due to the migration and rotation of small SIA clusters, while all the large SIA clusters escape the cubic simulation cell. The inverse U-shape behavior exhibited by the annealing efficiency as a function of temperature curve, especially for cascades of large PKA energies, is due to asymmetry in SIA and vacancy clustering assisted by the large difference in mobilities of SIAs and vacancies. This annealing behavior is unaffected by the dimensionality of SIA migration persists over a broad range of relative mobilities of SIAs and vacancies.

  5. Modeling sugar cane yield with a process-based model from site to continental scale: uncertainties arising from model structure and parameter values

    NASA Astrophysics Data System (ADS)

    Valade, A.; Ciais, P.; Vuichard, N.; Viovy, N.; Huth, N.; Marin, F.; Martiné, J.-F.

    2014-01-01

    Agro-Land Surface Models (agro-LSM) have been developed from the integration of specific crop processes into large-scale generic land surface models that allow calculating the spatial distribution and variability of energy, water and carbon fluxes within the soil-vegetation-atmosphere continuum. When developing agro-LSM models, a particular attention must be given to the effects of crop phenology and management on the turbulent fluxes exchanged with the atmosphere, and the underlying water and carbon pools. A part of the uncertainty of Agro-LSM models is related to their usually large number of parameters. In this study, we quantify the parameter-values uncertainty in the simulation of sugar cane biomass production with the agro-LSM ORCHIDEE-STICS, using a multi-regional approach with data from sites in Australia, La Réunion and Brazil. In ORCHIDEE-STICS, two models are chained: STICS, an agronomy model that calculates phenology and management, and ORCHIDEE, a land surface model that calculates biomass and other ecosystem variables forced by STICS' phenology. First, the parameters that dominate the uncertainty of simulated biomass at harvest date are determined through a screening of 67 different parameters of both STICS and ORCHIDEE on a multi-site basis. Secondly, the uncertainty of harvested biomass attributable to those most sensitive parameters is quantified and specifically attributed to either STICS (phenology, management) or to ORCHIDEE (other ecosystem variables including biomass) through distinct Monte-Carlo runs. The uncertainty on parameter values is constrained using observations by calibrating the model independently at seven sites. In a third step, a sensitivity analysis is carried out by varying the most sensitive parameters to investigate their effects at continental scale. A Monte-Carlo sampling method associated with the calculation of Partial Ranked Correlation Coefficients is used to quantify the sensitivity of harvested biomass to input parameters on a continental scale across the large regions of intensive sugar cane cultivation in Australia and Brazil. Ten parameters driving most of the uncertainty in the ORCHIDEE-STICS modeled biomass at the 7 sites are identified by the screening procedure. We found that the 10 most sensitive parameters control phenology (maximum rate of increase of LAI) and root uptake of water and nitrogen (root profile and root growth rate, nitrogen stress threshold) in STICS, and photosynthesis (optimal temperature of photosynthesis, optimal carboxylation rate), radiation interception (extinction coefficient), and transpiration and respiration (stomatal conductance, growth and maintenance respiration coefficients) in ORCHIDEE. We find that the optimal carboxylation rate and photosynthesis temperature parameters contribute most to the uncertainty in harvested biomass simulations at site scale. The spatial variation of the ranked correlation between input parameters and modeled biomass at harvest is well explained by rain and temperature drivers, suggesting climate-mediated different sensitivities of modeled sugar cane yield to the model parameters, for Australia and Brazil. This study reveals the spatial and temporal patterns of uncertainty variability for a highly parameterized agro-LSM and calls for more systematic uncertainty analyses of such models.

  6. Modeling sugarcane yield with a process-based model from site to continental scale: uncertainties arising from model structure and parameter values

    NASA Astrophysics Data System (ADS)

    Valade, A.; Ciais, P.; Vuichard, N.; Viovy, N.; Caubel, A.; Huth, N.; Marin, F.; Martiné, J.-F.

    2014-06-01

    Agro-land surface models (agro-LSM) have been developed from the integration of specific crop processes into large-scale generic land surface models that allow calculating the spatial distribution and variability of energy, water and carbon fluxes within the soil-vegetation-atmosphere continuum. When developing agro-LSM models, particular attention must be given to the effects of crop phenology and management on the turbulent fluxes exchanged with the atmosphere, and the underlying water and carbon pools. A part of the uncertainty of agro-LSM models is related to their usually large number of parameters. In this study, we quantify the parameter-values uncertainty in the simulation of sugarcane biomass production with the agro-LSM ORCHIDEE-STICS, using a multi-regional approach with data from sites in Australia, La Réunion and Brazil. In ORCHIDEE-STICS, two models are chained: STICS, an agronomy model that calculates phenology and management, and ORCHIDEE, a land surface model that calculates biomass and other ecosystem variables forced by STICS phenology. First, the parameters that dominate the uncertainty of simulated biomass at harvest date are determined through a screening of 67 different parameters of both STICS and ORCHIDEE on a multi-site basis. Secondly, the uncertainty of harvested biomass attributable to those most sensitive parameters is quantified and specifically attributed to either STICS (phenology, management) or to ORCHIDEE (other ecosystem variables including biomass) through distinct Monte Carlo runs. The uncertainty on parameter values is constrained using observations by calibrating the model independently at seven sites. In a third step, a sensitivity analysis is carried out by varying the most sensitive parameters to investigate their effects at continental scale. A Monte Carlo sampling method associated with the calculation of partial ranked correlation coefficients is used to quantify the sensitivity of harvested biomass to input parameters on a continental scale across the large regions of intensive sugarcane cultivation in Australia and Brazil. The ten parameters driving most of the uncertainty in the ORCHIDEE-STICS modeled biomass at the 7 sites are identified by the screening procedure. We found that the 10 most sensitive parameters control phenology (maximum rate of increase of LAI) and root uptake of water and nitrogen (root profile and root growth rate, nitrogen stress threshold) in STICS, and photosynthesis (optimal temperature of photosynthesis, optimal carboxylation rate), radiation interception (extinction coefficient), and transpiration and respiration (stomatal conductance, growth and maintenance respiration coefficients) in ORCHIDEE. We find that the optimal carboxylation rate and photosynthesis temperature parameters contribute most to the uncertainty in harvested biomass simulations at site scale. The spatial variation of the ranked correlation between input parameters and modeled biomass at harvest is well explained by rain and temperature drivers, suggesting different climate-mediated sensitivities of modeled sugarcane yield to the model parameters, for Australia and Brazil. This study reveals the spatial and temporal patterns of uncertainty variability for a highly parameterized agro-LSM and calls for more systematic uncertainty analyses of such models.

  7. Detrimental effect of selection for milk yield on genetic tolerance to heat stress in purebred Zebu cattle: Genetic parameters and trends.

    PubMed

    Santana, M L; Pereira, R J; Bignardi, A B; Filho, A E Vercesi; Menéndez-Buxadera, A; El Faro, L

    2015-12-01

    In an attempt to determine the possible detrimental effects of continuous selection for milk yield on the genetic tolerance of Zebu cattle to heat stress, genetic parameters and trends of the response to heat stress for 86,950 test-day (TD) milk yield records from 14,670 first lactations of purebred dairy Gir cows were estimated. A random regression model with regression on days in milk (DIM) and temperature-humidity index (THI) values was applied to the data. The most detrimental effect of THI on milk yield was observed in the stage of lactation with higher milk production, DIM 61 to 120 (-0.099kg/d per THI). Although modest variations were observed for the THI scale, a reduction in additive genetic variance as well as in permanent environmental and residual variance was observed with increasing THI values. The heritability estimates showed a slight increase with increasing THI values for any DIM. The correlations between additive genetic effects across the THI scale showed that, for most of the THI values, genotype by environment interactions due to heat stress were less important for the ranking of bulls. However, for extreme THI values, this type of genotype by environment interaction may lead to an important error in selection. As a result of the selection for milk yield practiced in the dairy Gir population for 3 decades, the genetic trend of cumulative milk yield was significantly positive for production in both high (51.81kg/yr) and low THI values (78.48kg/yr). However, the difference between the breeding values of animals at high and low THI may be considered alarming (355kg in 2011). The genetic trends observed for the regression coefficients related to general production level (intercept of the reaction norm) and specific ability to respond to heat stress (slope of the reaction norm) indicate that the dairy Gir population is heading toward a higher production level at the expense of lower tolerance to heat stress. These trends reflect the genetic antagonism between production and tolerance to heat stress demonstrated by the negative genetic correlation between these components (-0.23). Monitoring trends of the genetic component of heat stress would be a reasonable measure to avoid deterioration in one of the main traits of Zebu cattle (i.e., high tolerance to heat stress). On the basis of current genetic trends, the need for future genetic evaluation of dairy Zebu animals for tolerance to heat stress cannot be ruled out. PMID:26476953

  8. Quantitative Genetics and Functional-Structural Plant Growth Models: Simulation of Quantitative Trait Loci Detection for Model Parameters and Application to Potential Yield Optimization

    E-print Network

    Letort, Veronique; Cournède, Paul-Henry; De Reffye, Philippe; Courtois, Brigitte; 10.1093/aob/mcm197

    2010-01-01

    Background and Aims: Prediction of phenotypic traits from new genotypes under untested environmental conditions is crucial to build simulations of breeding strategies to improve target traits. Although the plant response to environmental stresses is characterized by both architectural and functional plasticity, recent attempts to integrate biological knowledge into genetics models have mainly concerned specific physiological processes or crop models without architecture, and thus may prove limited when studying genotype x environment interactions. Consequently, this paper presents a simulation study introducing genetics into a functional-structural growth model, which gives access to more fundamental traits for quantitative trait loci (QTL) detection and thus to promising tools for yield optimization. Methods: The GreenLab model was selected as a reasonable choice to link growth model parameters to QTL. Virtual genes and virtual chromosomes were defined to build a simple genetic model that drove the settings ...

  9. Sorption of SO(2) and NO from simulated flue gas over rice husk ash (RHA)/CaO/CeO(2) sorbent: evaluation of deactivation kinetic parameters.

    PubMed

    Dahlan, Irvan; Lee, Keat Teong; Kamaruddin, Azlina Harun; Mohamed, Abdul Rahman

    2011-01-30

    In this study, the kinetic parameters of rice husk ash (RHA)/CaO/CeO(2) sorbent for SO(2) and NO sorptions were investigated in a laboratory-scale stainless steel fixed-bed reactor. Data experiments were obtained from our previous results and additional independent experiments were carried out at different conditions. The initial sorption rate constant (k(0)) and deactivation rate constant (k(d)) for SO(2)/NO sorptions were obtained from the nonlinear regression analysis of the experimental breakthrough data using deactivation kinetic model. Both the initial sorption rate constants and deactivation rate constants increased with increasing temperature, except at operating temperature of 170 °C. The activation energy and frequency factor for the SO(2) sorption were found to be 18.0 kJ/mol and 7.37 × 10(5)cm(3)/(g min), respectively. Whereas the activation energy and frequency factor for the NO sorption, were estimated to be 5.64 kJ/mol and 2.19 × 10(4)cm(3)/(g min), respectively. The deactivation kinetic model was found to give a very good agreement with the experimental data of the SO(2)/NO sorptions. PMID:21071143

  10. Errors in Sounding of the Atmosphere Using Broadband Emission Radiometry (SABER) Kinetic Temperature Caused by Non-Local Thermodynamic Equilibrium Model Parameters

    NASA Technical Reports Server (NTRS)

    Garcia-Comas, Maya; Lopez-Puertas, M.; Funke, B.; Bermejo-Pantaleon, D.; Marshall, Benjamin T.; Mertens, Christopher J.; Remsberg, Ellis E.; Mlynczak, Martin G.; Gordley, L. L.; Russell, James M.

    2008-01-01

    The vast set of near global and continuous atmospheric measurements made by the SABER instrument since 2002, including daytime and nighttime kinetic temperature (T(sub k)) from 20 to 105 km, is available to the scientific community. The temperature is retrieved from SABER measurements of the atmospheric 15 micron CO2 limb emission. This emission separates from local thermodynamic equilibrium (LTE) conditions in the rarefied mesosphere and thermosphere, making it necessary to consider the CO2 vibrational state non-LTE populations in the retrieval algorithm above 70 km. Those populations depend on kinetic parameters describing the rate at which energy exchange between atmospheric molecules take place, but some of these collisional rates are not well known. We consider current uncertainties in the rates of quenching of CO2 (v2 ) by N2 , O2 and O, and the CO2 (v2 ) vibrational-vibrational exchange to estimate their impact on SABER T(sub k) for different atmospheric conditions. The T(sub k) is more sensitive to the uncertainty in the latter two and their effects depend on altitude. The T(sub k) combined systematic error due to non-LTE kinetic parameters does not exceed +/- 1.5 K below 95 km and +/- 4-5 K at 100 km for most latitudes and seasons (except for polar summer) if the Tk profile does not have pronounced vertical structure. The error is +/- 3 K at 80 km, +/- 6 K at 84 km and +/- 18 K at 100 km under the less favourable polar summer conditions. For strong temperature inversion layers, the errors reach +/- 3 K at 82 km and +/- 8 K at 90 km. This particularly affects tide amplitude estimates, with errors of up to +/- 3 K.

  11. Network topology and parameter estimation: from experimental design methods to gene regulatory network kinetics using a community based approach

    PubMed Central

    2014-01-01

    Background Accurate estimation of parameters of biochemical models is required to characterize the dynamics of molecular processes. This problem is intimately linked to identifying the most informative experiments for accomplishing such tasks. While significant progress has been made, effective experimental strategies for parameter identification and for distinguishing among alternative network topologies remain unclear. We approached these questions in an unbiased manner using a unique community-based approach in the context of the DREAM initiative (Dialogue for Reverse Engineering Assessment of Methods). We created an in silico test framework under which participants could probe a network with hidden parameters by requesting a range of experimental assays; results of these experiments were simulated according to a model of network dynamics only partially revealed to participants. Results We proposed two challenges; in the first, participants were given the topology and underlying biochemical structure of a 9-gene regulatory network and were asked to determine its parameter values. In the second challenge, participants were given an incomplete topology with 11 genes and asked to find three missing links in the model. In both challenges, a budget was provided to buy experimental data generated in silico with the model and mimicking the features of different common experimental techniques, such as microarrays and fluorescence microscopy. Data could be bought at any stage, allowing participants to implement an iterative loop of experiments and computation. Conclusions A total of 19 teams participated in this competition. The results suggest that the combination of state-of-the-art parameter estimation and a varied set of experimental methods using a few datasets, mostly fluorescence imaging data, can accurately determine parameters of biochemical models of gene regulation. However, the task is considerably more difficult if the gene network topology is not completely defined, as in challenge 2. Importantly, we found that aggregating independent parameter predictions and network topology across submissions creates a solution that can be better than the one from the best-performing submission. PMID:24507381

  12. Do organic solvents affect the catalytic properties of lipase? Intrinsic kinetic parameters of lipases in ester hydrolysis and formation in various organic solvents

    SciTech Connect

    Tol, J.B.A. van; Stevens, R.M.M.; Veldhuizen, W.J.; Jongejan, J.A.; Duine, J.A.

    1995-07-05

    When it is assumed that organic solvents do not interfere with the binding process nor with the catalytic mechanism, the contribution of substrate-solvent interactions to enzyme kinetics can be accounted for by just replacing substrate concentrations in the equations by thermodynamic activities. It appears from the transformation that only the affinity parameters (K{sub m},k{sub sp}) are affected by this. Thus, in theory, the values of these corrected, intrinsic parameters (K{sub m}{sup int}, k{sub sp}{sup int}) and the maximal rate (V{sub 1}) should be equal for all media. This was tested for hydrolysis, transesterification, and esterification reactions catalyzed by pig pancreas lipase and Pseudomonas cepacia lipase in various organic solvents. Correction was carried out via experimentally determined activity coefficients for the substrates in these solvents or, if not feasible, from values in data bases. However, although the kinetic performances of each enzyme in the solvents became much more similar after correction, differences still remained. Analysis of the enzyme suspensions revealed massive particles, which explains the low activity of enzymes in organic solvents. However, no correlation was found between estimates of the amount of catalytically available enzyme (present at the surface of suspended particles or immobilized on beads) and the maximal rates observed. Moreover, the solvents had similar effects on the intrinsic parameters of suspended and immobilized enzyme. The possible causes for the effects of the solvents on the catalytic performance of the enzymes, remaining after correction for solvent-substrate interactions and the amount of participating enzyme, are discussed with respect to the premises on which the correction method is based.

  13. Water-Exchange-Modified Kinetic Parameters from Dynamic Contrast-Enhanced MRI as Prognostic Biomarkers of Survival in Advanced Hepatocellular Carcinoma Treated with Antiangiogenic Monotherapy

    PubMed Central

    Lee, Sang Ho; Hayano, Koichi; Zhu, Andrew X.; Sahani, Dushyant V.; Yoshida, Hiroyuki

    2015-01-01

    Background To find prognostic biomarkers in pretreatment dynamic contrast-enhanced MRI (DCE-MRI) water-exchange-modified (WX) kinetic parameters for advanced hepatocellular carcinoma (HCC) treated with antiangiogenic monotherapy. Methods Twenty patients with advanced HCC underwent DCE-MRI and were subsequently treated with sunitinib. Pretreatment DCE-MRI data on advanced HCC were analyzed using five different WX kinetic models: the Tofts-Kety (WX-TK), extended TK (WX-ETK), two compartment exchange, adiabatic approximation to tissue homogeneity (WX-AATH), and distributed parameter (WX-DP) models. The total hepatic blood flow, arterial flow fraction (?), arterial blood flow (BFA), portal blood flow, blood volume, mean transit time, permeability-surface area product, fractional interstitial volume (vI), extraction fraction, mean intracellular water molecule lifetime (?C), and fractional intracellular volume (vC) were calculated. After receiver operating characteristic analysis with leave-one-out cross-validation, individual parameters for each model were assessed in terms of 1-year-survival (1YS) discrimination using Kaplan-Meier analysis, and association with overall survival (OS) using univariate Cox regression analysis with permutation testing. Results The WX-TK-model-derived ? (P = 0.022) and vI (P = 0.010), and WX-ETK-model-derived ?C (P = 0.023) and vC (P = 0.042) were statistically significant prognostic biomarkers for 1YS. Increase in the WX-DP-model-derived BFA (P = 0.025) and decrease in the WX-TK, WX-ETK, WX-AATH, and WX-DP-model-derived vC (P = 0.034, P = 0.038, P = 0.028, P = 0.041, respectively) were significantly associated with an increase in OS. Conclusions The WX-ETK-model-derived vC was an effective prognostic biomarker for advanced HCC treated with sunitinib. PMID:26366997

  14. Calculation of reactivities using ionization chamber currents with different sets of kinetic parameters for reduced scram system efficiency in the VVER-1000 of the third unit of the Kalinin nuclear power plant at the stage of physical start-up

    SciTech Connect

    Zizin, M. N.; Zizina, S. N.; Kryakvin, L. V.; Pitilimov, V. A.; Tereshonok, V. A.

    2011-12-15

    The effectiveness of the VVER-1000 reactor scram system is analyzed using ionization chamber currents with different sets of kinetic parameters with allowance for the isotopic composition in the calculation of these parameters. The most 'correct, aesthetically acceptable' results are obtained using the eight-group constants of the ROSFOND (BNAB-RF) library. The difference between the maximum and minimum values of the scram system effectiveness calculated with different sets of kinetic parameters slightly exceeds 2{beta}. The problems of introducing corrections due to spatial effects are not considered in this study.

  15. Surface kinetics modeling of silicon and silicon oxide plasma etching. I. Effect of neutral and ion fluxes on etching yield of silicon oxide in fluorocarbon plasmas

    SciTech Connect

    Kwon, Ohseung; Sawin, Herbert H.

    2006-09-15

    Silicon oxide etching processes in C{sub 2}F{sub 6} and C{sub 4}F{sub 8}+80% Ar plasmas were investigated. Neutral and ion compositions in the plasma were measured using quadrupole mass spectrometry and etching yield was measured by a quartz-crystal microbalance. In C{sub 2}F{sub 6} plasma, the concentration of atomic fluorine in the neutral flux was 5%-25%, whereas there was less than 0.5% of atomic fluorine in C{sub 4}F{sub 8}+80% Ar plasma. A surface plot representing the etching yield as a function of neutral and ion fluxes was constructed and used to qualitatively explain the etching characteristics of silicon oxide in fluorocarbon plasmas. In C{sub 2}F{sub 6} chemistry, etching yield decreases slightly with increasing rf coil power. This is attributed to the decrease in both F/ion and CF{sub x}/ion, which is caused by an increase in ion flux, with a more significant effect due to a decrease in F/ion. In C{sub 4}F{sub 8}+80% Ar chemistry, however, etching yield increases with increasing rf coil power. This is attributed to the decrease in CF{sub x}, without the effect of F/ion due to the low atomic fluorine concentration. With increased operating pressure, etching yield decreases for both chemistries because as the pressure increases, ion current decreases, and CF{sub x} neutral concentration increases to have more deposition and less etching.

  16. A protocol for the measurement of all the parameters of the mass transfer kinetics in columns used in liquid chromatography

    SciTech Connect

    Gritti, Fabrice; Guiochon, Georges A

    2010-01-01

    Band broadening in chromatography results from the combination of the dispersive effects that are associated with the different steps involved in the migration of compound bands along the column. These steps include longitudinal diffusion, trans-particle mass transfer, external film mass transfer, overall eddy diffusion, including trans-column, short-range inter-channel, trans-channel eddy diffusion, and the possible, additional mass transfer contributions arising from heat friction and the thermal heterogeneity of the column. We describe a series of experiments that provide the data needed to determine the coefficients of the contributions to band broadening of each one of these individual mass transfer steps. This specifically designed protocol can provide key information regarding the kinetic performance of columns used in liquid chromatography and explain why different columns behave so differently. The limitations, accuracy and precision of these methods are discussed. Further avenues of research that could improve the characterization of the mass transfer mechanisms in chromatographic columns, possibly contributing to the development of better columns, are suggested.

  17. Kinetic Parameters of Secondary Carbide Precipitation in High-Cr White Iron Alloyed by Mn-Ni-Mo-V Complex

    NASA Astrophysics Data System (ADS)

    Efremenko, V. G.; Chabak, Yu. G.; Brykov, M. N.

    2013-05-01

    This study presents kinetics of precipitation of secondary carbides in 14.55%Cr-Mn-Ni-Mo-V white cast iron during the destabilization heat treatment. The as-cast iron was heat treated at temperatures in the range of 800-1100 °C with soaking up to 6 h. Investigation was carried out by optical and electron microscopy, dilatometric analysis, Ms temperature measurement, and bulk hardness evaluation. TTT-curve of precipitation process of secondary carbides (M7C3, M23C6, M3C2) has been constructed in this study. It was determined that the precipitation occurs at the maximum rate at 950 °C where the process is started after 10 s and completed within 160 min further. The precipitation leads to significant increase of Ms temperature and bulk hardness; large soaking times at destabilization temperatures cause coarsening of secondary carbides and decrease in particles number, followed by decrease in hardness. The results obtained are discussed in terms of solubility of carbon in the austenite and diffusion activation of Cr atoms. The precipitation was found to consist of two stages with activation energies of 196.5 kJ/g-mole at the first stage and 47.1 kJ/g-mole at the second stage.

  18. Kinetic parameters and inhibition response of ammonia- and nitrite-oxidizing bacteria in membrane bioreactors and conventional activated sludge processes.

    PubMed

    Munz, G; Mori, G; Vannini, C; Lubello, C

    2010-12-14

    Ammonium and nitrite oxidizing biomasses (AOB and NOB) were investigated in parallel pilot plants: a membrane bioreactor (MBR) and a conventional activated sludge process (CASP) fed with domestic wastewater. The kinetics of AOB and NOB were monitored through titrimetric tests. The maximum specific growth rate of the AOB (micro(max,AOB)) was affected by the solids' retention time (SRT) maintained during the start up: by varying the start up SRT from 20 d to 8 d, micro(max,AOB) in the CASP varied from 0.45 d(-1) +/- 0.04 to 0.72 d(-1) +/- 0.2 respectively; the mean value of micro(max,AOB) in the MBR samples (always maintained at SRT = 20 d) was in the range 0.45-0.49 d(-1). The endogenous decay coefficients of the NOB and AOB and the maximum specific growth rates of the NOB were similar in both MBR and CASP. Inhibition tests with different concentrations of allylthiourea (ATU) were carried out on samples from both activated sludge systems: the MBR sludge exhibited higher sensitivity to a low ATU concentration; however, the maximum nitrification activity recovered more rapidly than the CASP sludge. PMID:21275252

  19. Chemical modification and pH dependence of kinetic parameters to identify functional groups in a glucosyltransferase from Strep. Mutans

    SciTech Connect

    Bell, J.E.; Leone, A.; Bell, E.T.

    1986-05-01

    A glucosyltransferase, forming a predominantly al-6 linked glucan, was partially purified from the culture filtrate of S. mutans GS-5. The kinetic properties of the enzyme, assessed using the transfer of /sup 14/C glucose from sucrose into total glucan, were studied at pH values from pH 3.5 to 6.5. From the dependence of km on pH, a group with pKa = 5.5 must be protonated to maximize substrate binding. From plots of V/sub max/ vs pH two groups, with pKa's of 4.5 and 5.5 were indicated. The results suggest the involvement of either two carboxyl groups (one protonated, one unprotonated in the native enzyme) or a carboxyl group (unprotonated) and some other protonated group such as histidine, cysteine. Chemical modification studies showed that Diethylyrocarbonate (histidine specific) had no effect on enzyme activity while modification with p-phydroxy-mercuribenzoate or iodoacetic acid (sulfhydryl reactive) and carbodimide reagents (carboxyl specific) resulted in almost complete inactivation. Activity loss was dependent upon time of incubation and reagent concentration. The disaccharide lylose, (shown to be an inhibitor of the enzyme with similar affinity to sucrose) offers no protection against modification by the sulfhydryl reactive reagents.

  20. Quality changes of pasteurised orange juice during storage: A kinetic study of specific parameters and their relation to colour instability.

    PubMed

    Wibowo, Scheling; Grauwet, Tara; Santiago, Jihan Santanina; Tomic, Jovana; Vervoort, Liesbeth; Hendrickx, Marc; Van Loey, Ann

    2015-11-15

    In view of understanding colour instability of pasteurised orange juice during storage, to the best of our knowledge, this study reports for the first time in a systematic and quantitative way on a range of changes in specific quality parameters as a function of time and as well as temperature (20-42 °C). A zero-order (°Brix, fructose, glucose), a first-order (vitamin C), a second-order (sucrose) and a fractional conversion model (oxygen) were selected to model the evolution of the parameters between parentheses. Activation energies ranged from 22 to 136 kJ mol(-1), HMF formation being the most temperature sensitive. High correlations were found between sugars, ascorbic acid, their degradation products (furfural and HMF) and total colour difference (?E(?)). Based on PLS regression, the importance of the quality parameters for colour degradation was ranked relatively among each other: the acid-catalysed degradation of sugars and ascorbic acid degradation reactions appeared to be important for browning development in pasteurised orange juice during ambient storage. PMID:25977009

  1. Langmuir probe plasma parameters and kinetic rates in a Ar-SiH4-H2 plasma during nc-Si films deposition for photovoltaic applications

    NASA Astrophysics Data System (ADS)

    Moiseev, T.; Isella, G.; Chrastina, D.; Cavallotti, C.

    2009-11-01

    An assessment of main electron-impact and secondary (homogeneous) gas-phase reaction rates of silane in an argon-silane-hydrogen plasma during nano-crystalline silicon deposition is presented. Radially resolved Langmuir probe plasma parameters (electron temperature and density) and electron energy distribution functions (eedfs) have been evaluated for Ar, Ar-H2 and Ar-SiH4-H2 plasma in a low-energy plasma-enhanced chemical vapour deposition reactor. Input flow rates of 50 sccm Ar, 10 sccm SiH4 and 0-50 sccm H2 have been used for a reactor pressure range 1-4 Pa. The eedfs are used to evaluate kinetic rate constants for electron-impact dissociative processes of SiH4 and H2 and to infer the amount of atomic H available for the silane-hydrogen gas-phase reaction, observing trends with an increase in H2 input flow. The evolution of silane kinetic rates with an increase in H2 input indicates that conditions corresponding to nc-Si deposition are characterized by a dominance of silane-hydrogen gas-phase rates over electron-impact dissociation rates up to about two orders of magnitude.

  2. Structural characterization, thermoluminescence studies and kinetic parameters of SrSO4:Eu nanophosphors under X-ray and gamma excitations.

    PubMed

    Jayasudha, S; Madhukumar, K; Nair, C M K; Nair, Resmi G; Anandakumar, V M; Elias, Thayal Singh

    2016-02-15

    Nanostructured SrSO4:Eu phosphors with high thermoluminescence (TL) emission temperatures have been synthesized through a controlled chemical precipitation method. Structural analysis and TL studies under both ?-ray and X-ray excitations were done. The phosphors were characterized using Powder X-ray diffraction, X-ray photoelectron spectroscopy, SEM, TEM, thermogravimetry, UV-VIS and photoluminescence studies. The average crystallite size estimated using PXRD data is found to be around 40nm. XPS and PL studies reveal that Eu(2+) ions are the luminescence emission centres in the phosphor. The phosphor is found to be highly TL sensitive to both ?-rays and X-rays with very high emission temperature which is not reported so far. The emission behaviour is suitable for environmental radiation dosimetry applications. The TL glow curve shows well-defined isolated high temperature emission peak at 312°C under 2Gy ?-excitation and 284°C for low energy diagnostic X-ray irradiation and 271°C for high energy therapeutic X-rays. Chen's peak shape method is applied to obtain the kinetic parameters behind the TL emission. The TL mechanism is found to follow second order kinetics, suggesting the probability of re-trapping of charge carriers. PMID:26562181

  3. Isotherm Modelling, Kinetic Study and Optimization of Batch Parameters Using Response Surface Methodology for Effective Removal of Cr(VI) Using Fungal Biomass

    PubMed Central

    Chidambaram, Ramalingam

    2015-01-01

    Biosorption is a promising alternative method to replace the existing conventional technique for Cr(VI) removal from the industrial effluent. In the present experimental design, the removal of Cr(VI) from the aqueous solution was studied by Aspergillus niger MSR4 under different environmental conditions in the batch systems. The optimum conditions of biosorption were determined by investigating pH (2.0) and temperature (27°C). The effects of parameters such as biomass dosage (g/L), initial Cr(VI) concentration (mg/L) and contact time (min) on Cr(VI) biosorption were analyzed using a three parameter Box–Behnken design (BBD). The experimental data well fitted to the Langmuir isotherm, in comparison to the other isotherm models tested. The results of the D-R isotherm model suggested that a chemical ion-exchange mechanism was involved in the biosorption process. The biosorption process followed the pseudo-second-order kinetic model, which indicates that the rate limiting step is chemisorption process. Fourier transform infrared (FT-IR) spectroscopic studies revealed the possible involvement of functional groups, such as hydroxyl, carboxyl, amino and carbonyl group in the biosorption process. The thermodynamic parameters for Cr(VI) biosorption were also calculated, and the negative ?Gº values indicated the spontaneous nature of biosorption process. PMID:25786227

  4. Steam explosion pretreatment of wheat straw to improve methane yields: investigation of the degradation kinetics of structural compounds during anaerobic digestion.

    PubMed

    Theuretzbacher, Franz; Lizasoain, Javier; Lefever, Christopher; Saylor, Molly K; Enguidanos, Ramon; Weran, Nikolaus; Gronauer, Andreas; Bauer, Alexander

    2015-03-01

    Wheat straw can serve as a low-cost substrate for energy production without competing with food or feed production. This study investigated the effect of steam explosion pretreatment on the biological methane potential and the degradation kinetics of wheat straw during anaerobic digestion. It was observed that the biological methane potential of the non steam exploded, ground wheat straw (276 l(N) kg VS(-1)) did not significantly differ from the best steam explosion treated sample (286 l(N) kg VS(-1)) which was achieved at a pretreatment temperature of 140°C and a retention time of 60 min. Nevertheless degradation speed was improved by the pretreatment. Furthermore it was observed that compounds resulting from chemical reactions during the pretreatment and classified as pseudo-lignin were also degraded during the anaerobic batch experiments. Based on the rumen simulation technique, a model was developed to characterise the degradation process. PMID:25549903

  5. Geometrical Gyro-Kinetic

    E-print Network

    Frénod, Emmanuel

    The Geometrical Gyro-Kinetic Approximation Emmanuel Frénod Introduction : The two parameters Jiao Tong University The Geometrical Gyro-Kinetic Approximation Emmanuel Frénod1 May, 24th - 2013 Joint.frenod@univ-ubs.fr http://web.univ-ubs.fr/lmam/frenod/index.html Emmanuel Frénod The Geometrical Gyro-Kinetic

  6. Fundamental electrode kinetics

    NASA Technical Reports Server (NTRS)

    Elder, J. P.

    1968-01-01

    Report presents the fundamentals of electrode kinetics and the methods used in evaluating the characteristic parameters of rapid-charge transfer processes at electrode-electrolyte interfaces. The concept of electrode kinetics is outlined, followed by the principles underlying the experimental techniques for the investigation of electrode kinetics.

  7. Kinetic and Energetic Parameters of Carob Wastes Fermentation by Saccharomyces cerevisiae: Crabtree Effect, Ethanol Toxicity, and Invertase Repression.

    PubMed

    Rodrigues, B; Peinado, J M; Raposo, S; Constantino, A; Quintas, C; Lima-Costa, M E

    2015-06-01

    Carob waste is a useful raw material for the second-generation ethanol because 50% of its dry weight is sucrose, glucose, and fructose. To optimize the process, we have studied the influence of the initial concentration of sugars on the fermentation performance of Saccharomyces cerevisiae. With initial sugar concentrations (S0) of 20 g/l, the yeasts were derepressed and the ethanol produced during the exponential phase was consumed in a diauxic phase. The rate of ethanol consumption decreased with increasing S0 and disappeared at 250 g/l when the Crabtree effect was complete and almost all the sugar consumed was transformed into ethanol with a yield factor of 0.42 g/g. Sucrose hydrolysis was delayed at high S0 because of glucose repression of invertase synthesis, which was triggered at concentrations above 40 g/l. At S0 higher than 250 g/l, even when glucose had been exhausted, sucrose was hydrolyzed very slowly, probably due to an inhibition at this low water activity. Although with lower metabolic rates and longer times of fermentation, 250 g/l is considered the optimal initial concentration because it avoids the diauxic consumption of ethanol and maintains enough invertase activity to consume all the sucrose, and also avoids the inhibitions due to lower water activities at higher S0. PMID:25588557

  8. Kinetic model framework for aerosol and cloud surface chemistry and gas-particle interactions: Part 1 - general equations, parameters, and terminology

    NASA Astrophysics Data System (ADS)

    Pöschl, U.; Rudich, Y.; Ammann, M.

    2005-04-01

    Aerosols and clouds play central roles in atmospheric chemistry and physics, climate, air pollution, and public health. The mechanistic understanding and predictability of aerosol and cloud properties, interactions, transformations, and effects are, however, still very limited. This is due not only to the limited availability of measurement data, but also to the limited applicability and compatibility of model formalisms used for the analysis, interpretation, and description of heterogeneous and multiphase processes. To support the investigation and elucidation of atmospheric aerosol and cloud surface chemistry and gas-particle interactions, we present a comprehensive kinetic model framework with consistent and unambiguous terminology and universally applicable rate equations and parameters. It allows to describe mass transport and chemical reactions at the gas-particle interface and to link aerosol and cloud surface processes with gas phase and particle bulk processes in systems with multiple chemical components and competing physicochemical processes. The key elements and essential aspects of the presented framework are: a simple and descriptive double-layer surface model (sorption layer and quasi-static layer); straightforward flux-based mass balance and rate equations; clear separation of mass transport and chemical reactions; well-defined rate parameters (uptake and accommodation coefficients, reaction and transport rate coefficients); clear distinction between gas phase, gas-surface, and surface-bulk transport (gas phase diffusion correction, surface and bulk accommodation); clear distinction between gas-surface, surface layer, and surface-bulk reactions (Langmuir-Hinshelwood and Eley-Rideal mechanisms); mechanistic description of concentration and time dependencies; flexible inclusion/omission of chemical species and physicochemical processes; flexible convolution/deconvolution of species and processes; and full compatibility with traditional resistor model formulations. Exemplary practical applications and model calculations illustrating the relevance of the above aspects will be presented in a companion paper (Ammann and Pöschl, 2005). We expect that the presented model framework will serve as a useful tool and basis for experimental and theoretical studies investigating and describing atmospheric aerosol and cloud surface chemistry and gas-particle interactions. In particular, it is meant to support the planning and design of laboratory experiments for the elucidation and determination of kinetic parameters; the establishment, evaluation, and quality assurance of comprehensive and self-consistent collections of rate parameters; and the development of detailed master mechanisms for process models and the derivation of simplified but yet realistic parameterizations for atmospheric and climate models.

  9. Assessment of the aerobic preparation and bottom ash addition as pretreatment steps before landfilling: impact on methanogenesis kinetics and leachate parameters.

    PubMed

    Mansour, Alicia A; Motte, Antoine; Pallier, Virginie; Feuillade-Cathalifaud, Geneviève; Ponthieux, Arnaud

    2012-10-01

    This work focuses on assessing the impact of two types of waste pretreatment: addition of bottom ashes and aerobic pretreatment on both the onset and kinetics of methanogenesis and the evolution of different parameters in the leachate. It also studies the correlation between methane production and the different parameters measured in the leachate produced. A total of six 68-L pilots were thus used with fresh municipal solid waste (MSW) shredded to a 40-mm size. After 14 months of landfilling, the control has produced less than 10 NLkg(-1)DM, which corresponds to around 7% of its biochemical methane potential (BMP). Nevertheless, on one hand for aerobically pretreated waste, the lag phase before the onset of methanogenesis is significantly reduced to 0.9 month compared to more than 1 year for the control. In addition to that, on average 110 NLkg(-1)DM (90% of the BMP) is produced within around 6.5 months. On the other hand, the waste with added bottom ash shows a slight improvement of the lag phase over the control for one of the duplicate: 6.1 months of lag phase. At this stage, on average of 26 NLkg(-1)DM waste are detected (22% of the BMP) no final conclusion concerning the impact of bottom ashes could be made. The data obtained for the leachate parameters agrees with the observations on methane production. Statistical correlation study shows that the two components of the corrected PCA interpret 76% of the variability of the data: SUVA (specific UV absorbance at 254 nm) and HPI(*) (% of hydrophilic compounds) are identified as interesting parameters for following up the biodegradation in landfill conditions. PMID:22640801

  10. Pressure and temperature dependence kinetics study of the NO + BrO yielding NO2 + Br reaction - Implications for stratospheric bromine photochemistry

    NASA Technical Reports Server (NTRS)

    Watson, R. T.; Sander, S. P.; Yung, Y. L.

    1979-01-01

    The reactivity of NO with BrO radicals over a wide range of pressure (100-700 torr) and temperature (224-398 K) is investigated using the flash photolysis-ultraviolet absorption technique. The flash photolysis system consists of a high-pressure xenon arc light source, a reaction cell/gas filter/flash lamp combination, and a 216.5 half-meter monochromator/polychromator/spectrography for wavelength selectivity. The details of the reaction and its corresponding Arrhenius expression are identified. The results are compared with previous measurements, and atmospheric implications of the reaction are discussed. The NO + BrO yielding NO2 + Br reaction is shown to be important in controlling the concentration ratios of BrO/Br and BrO/HBr in the stratosphere, but this reaction does not affect the catalytic efficiency of BrOx in ozone destruction.

  11. Toward full-chip prediction of yield-limiting contact patterning failure: correlation of simulated image parameters to advanced contact metrology metrics

    NASA Astrophysics Data System (ADS)

    Sturtevant, John L.; Chou, Dyiann

    2006-03-01

    Electrical failure due to incomplete contacts or vias has arisen as one of the primary modes of yield loss for 130 nm and below designs in manufacturing. Such failures are generally understood to arise from both random and systematic sources. The addition of redundant vias, where possible, has long been an accepted DFM practice for mitigating the impact of random defects. Incomplete vias are often characterized by having a diameter near the target dimension but a depth of less than 100% of target. As such, it is a difficult problem to diagnose and debug in-line, since bright and dark field optical inspection systems cannot typically distinguish between a closed, partially open and fully open contact. Advanced metrology systems have emerged in recent years to meet this challenge, but no perfect manufacturing solution has yet been identified for full field verification of all contacts. Voltage Contrast (VC) SEM metrology biases the wafer to directly measure electrical conductivity after fill / polish, and can therefore easily discern a lack of electrical connection to the underlying conductor caused by incomplete photo, etch, or fill processing. While an entire wafer can in principal be VC scanned, throughput limitations dictate very sparse sampling in manufacturing. SEM profile grading (PG) leverages the rich content of the secondary electron waveform to decipher information about the bottom of the contact. Several authors have demonstrated an excellent response of the Profile Grade to intentional defocus vectors. However, the SEM can only target discreet or single digit groupings of contacts, and therefore requires intelligent guidance to identify those contacts which are most prone to failure, enabling protection of the fab WIP. An a-priori knowledge of which specific contacts in a layout are most likely to fail would prove very useful for proactive inspection in manufacturing. Model based pre-manufacturing verification allows for such knowledge to be communicated to manufacturing. This paper will focus on 130 nm node contact patterning, and will correlate SEM Profile Grade output to the extensive suite of model-based image tags from the Calibre TM opc-verification engine. With an understanding of which image parameters are most highly correlated to the occurrence of incomplete contact formation for a given process, the process model can be used to automatically direct inspection metrology to those layout instances that pose the highest risk of patterning failure through the lithographic process window. Such an approach maximizes the value content of in-line metrology.

  12. Time profiles and toxicokinetic parameters of key biomarkers of exposure to cypermethrin in orally exposed volunteers compared with previously available kinetic data following permethrin exposure.

    PubMed

    Ratelle, Mylène; Coté, Jonathan; Bouchard, Michèle

    2015-12-01

    Biomonitoring of pyrethroid exposure is largely conducted but human toxicokinetics has not been fully documented. This is essential for a proper interpretation of biomonitoring data. Time profiles and toxicokinetic parameters of key biomarkers of exposure to cypermethrin in orally exposed volunteers have been documented and compared with previously available kinetic data following permethrin dosing. Six volunteers ingested 0.1 mg kg(-1) bodyweight of cypermethrin acutely. The same volunteers were exposed to permethrin earlier. Blood samples were taken over 72 h after treatment and complete timed urine voids were collected over 84 h postdosing. Cis- and trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylic acids (trans- and cis-DCCA) and 3-phenoxybenzoic acid (3-PBA) metabolites, common to both cypermethrin and permethrin, were quantified. Blood and urinary time courses of all three metabolites were similar following cypermethrin and permethrin exposure. Plasma levels of metabolites reached peak values on average ??5-7 h post-dosing; the elimination phase showed mean apparent half-lives (t½ ) for trans-DCCA, cis-DCCA and 3-PBA of 5.1, 6.9 and 9.2 h, respectively, following cypermethrin treatment as compared to 7.1, 6.2 and 6.5 h after permethrin dosing. Corresponding mean values obtained from urinary rate time courses were peak values at ??9 h post-dosing and apparent elimination t½ of 6.3, 6.4 and 6.4 h for trans-DCCA, cis-DCCA and 3-PBA, respectively, following cypermethrin treatment as compared to 5.4, 4.5 and 5.7 h after permethrin dosing. These data confirm that the kinetics of cypermethrin is similar to that of permethrin in humans and that their common biomarkers of exposure may be used for an overall assessment of exposure. Copyright © 2015 John Wiley & Sons, Ltd. PMID:25772368

  13. Insights into organogelation and its kinetics from Hansen solubility parameters. Toward a priori predictions of molecular gelation.

    PubMed

    Diehn, Kevin K; Oh, Hyuntaek; Hashemipour, Reza; Weiss, Richard G; Raghavan, Srinivasa R

    2014-04-21

    Many small molecules can self-assemble by non-covalent interactions into fibrous networks and thereby induce gelation of organic liquids. However, no capability currently exists to predict whether a molecule in a given solvent will form a gel, a low-viscosity solution (sol), or an insoluble precipitate. Gelation has been recognized as a phenomenon that reflects a balance between solubility and insolubility; however, the distinction between these regimes has not been quantified in a systematic fashion. In this work, we focus on a well-known gelator, 1,3:2,4-dibenzylidene sorbitol (DBS), and study its self-assembly in various solvents. From these data, we build a framework for DBS gelation based on Hansen solubility parameters (HSPs). While the HSPs for DBS are not known a priori, the HSPs are available for each solvent and they quantify the solvent's ability to interact via dispersion, dipole-dipole, and hydrogen bonding interactions. Using the three HSPs, we construct three-dimensional plots showing regions of solubility (S), slow gelation (SG), instant gelation (IG), and insolubility (I) for DBS in the different solvents at a given temperature and concentration. Our principal finding is that the above regions radiate out as concentric shells: i.e., a central solubility (S) sphere, followed in order by spheres corresponding to SG, IG, and I regions. The distance (R0) from the origin of the central sphere quantifies the incompatibility between DBS and a solvent-the larger this distance, the more incompatible the pair. The elastic modulus of the final gel increases with R0, while the time required for a super-saturated sol to form a gel decreases with R0. Importantly, if R0 is too small, the gels are weak, but if R0 is too large, insolubility occurs-thus, strong gels fall within an optimal window of incompatibility between the gelator and the solvent. Our approach can be used to design organogels of desired strength and gelation time by judicious choice of a particular solvent or a blend of solvents. The above framework can be readily extended to many other gelators, including those with molecular structures very different from that of DBS. We have developed a MATLAB program that will be freely available (upon request) to the scientific community to replicate and extend this approach to other gelators of interest. PMID:24647411

  14. Isotopic discrimination and kinetic parameters of RubisCO from the marine bloom-forming diatom, Skeletonema costatum.

    PubMed

    Boller, A J; Thomas, P J; Cavanaugh, C M; Scott, K M

    2015-01-01

    The cosmopolitan, bloom-forming diatom, Skeletonema costatum, is a prominent primary producer in coastal oceans, fixing CO2 with ribulose 1,5-bisphosphate carboxylase/oxygenase (RubisCO) that is phylogenetically distinct from terrestrial plant RubisCO. RubisCOs are subdivided into groups based on sequence similarity of their large subunits (IA-ID, II, and III). ID is present in several major oceanic primary producers, including diatoms such as S. costatum, coccolithophores, and some dinoflagellates, and differs substantially in amino acid sequence from the well-studied IB enzymes present in most cyanobacteria and in green algae and plants. Despite this sequence divergence, and differences in isotopic discrimination apparent in other RubisCO enzymes, stable carbon isotope compositions of diatoms and other marine phytoplankton are generally interpreted assuming enzymatic isotopic discrimination similar to spinach RubisCO (IB). To interpret phytoplankton ?(13) C values, S. costatum RubisCO was characterized via sequence analysis, and measurement of its KCO2 and Vmax , and degree of isotopic discrimination. The sequence of this enzyme placed it among other diatom ID RubisCOs. Michaelis-Menten parameters were similar to other ID enzymes (KCO2 = 48.9 ± 2.8 ?m; Vmax = 165.1 ± 6.3 nmol min(-1 ) mg(-1) ). However, isotopic discrimination (? = [(12) k/(13) k - 1] × 1000) was low (18.5‰; 17.0-19.9, 95% CI) when compared to IA and IB RubisCOs (22-29‰), though not as low as ID from coccolithophore, Emiliania huxleyi (11.1‰). Variability in ?-values among RubisCOs from primary producers is likely reflected in ?(13) C values of oceanic biomass. Currently, ?(13) C variability is ascribed to physical or chemical factors (e.g. illumination, nutrient availability) and physiological responses to these factors (e.g. carbon-concentrating mechanisms). Estimating the importance of these factors from ?(13) C measurements requires an accurate ?-value, and a mass-balance model using the ?-value for S. costatum RubisCO is presented. Clearly, appropriate ?-values must be included in interpreting ?(13) C values of environmental samples. PMID:25302659

  15. Kinetic model framework for aerosol and cloud surface chemistry and gas-particle interactions - Part 1: General equations, parameters, and terminology

    NASA Astrophysics Data System (ADS)

    Pöschl, U.; Rudich, Y.; Ammann, M.

    2007-12-01

    Aerosols and clouds play central roles in atmospheric chemistry and physics, climate, air pollution, and public health. The mechanistic understanding and predictability of aerosol and cloud properties, interactions, transformations, and effects are, however, still very limited. This is due not only to the limited availability of measurement data, but also to the limited applicability and compatibility of model formalisms used for the analysis, interpretation, and description of heterogeneous and multiphase processes. To support the investigation and elucidation of atmospheric aerosol and cloud surface chemistry and gas-particle interactions, we present a comprehensive kinetic model framework with consistent and unambiguous terminology and universally applicable rate equations and parameters. It enables a detailed description of mass transport and chemical reactions at the gas-particle interface, and it allows linking aerosol and cloud surface processes with gas phase and particle bulk processes in systems with multiple chemical components and competing physicochemical processes. The key elements and essential aspects of the presented framework are: a simple and descriptive double-layer surface model (sorption layer and quasi-static layer); straightforward flux-based mass balance and rate equations; clear separation of mass transport and chemical reactions; well-defined and consistent rate parameters (uptake and accommodation coefficients, reaction and transport rate coefficients); clear distinction between gas phase, gas-surface, and surface-bulk transport (gas phase diffusion, surface and bulk accommodation); clear distinction between gas-surface, surface layer, and surface-bulk reactions (Langmuir-Hinshelwood and Eley-Rideal mechanisms); mechanistic description of concentration and time dependences (transient and steady-state conditions); flexible addition of unlimited numbers of chemical species and physicochemical processes; optional aggregation or resolution of intermediate species, sequential processes, and surface layers; and full compatibility with traditional resistor model formulations. The outlined double-layer surface concept and formalisms represent a minimum of model complexity required for a consistent description of the non-linear concentration and time dependences observed in experimental studies of atmospheric multiphase processes (competitive co-adsorption and surface saturation effects, etc.). Exemplary practical applications and model calculations illustrating the relevance of the above aspects are presented in a companion paper (Ammann and Pöschl, 2007). We expect that the presented model framework will serve as a useful tool and basis for experimental and theoretical studies investigating and describing atmospheric aerosol and cloud surface chemistry and gas-particle interactions. It shall help to end the "Babylonian confusion" that seems to inhibit scientific progress in the understanding of heterogeneous chemical reactions and other multiphase processes in aerosols and clouds. In particular, it shall support the planning and design of laboratory experiments for the elucidation and determination of fundamental kinetic parameters; the establishment, evaluation, and quality assurance of comprehensive and self-consistent collections of rate parameters; and the development of detailed master mechanisms for process models and derivation of simplified but yet realistic parameterizations for atmospheric and climate models.

  16. Dynamic determination of kinetic parameters for the interaction between polypeptide hormones and cell-surface receptors in the perfused rat liver by the multiple-indicator dilution method

    SciTech Connect

    Sato, H.; Sugiyama, Y.; Sawada, Y.; Iga, T.; Sakamoto, S.; Fuwa, T.; Hanano, M. )

    1988-11-01

    Hepatic elimination of epidermal growth factor (EGF) via receptor-mediated endocytosis was studied by a multiple-indicator dilution method in the isolated perfused rat liver, in which cell polarity and spatial organization are maintained. In this method EGF was given with inulin, an extracellular reference, as a bolus into the portal vein, and dilution curves of both compounds in the hepatic vein effluent were analyzed. Analysis of the dilution curve for EGF, compared with that for somatostatin, which showed no specific binding to isolated liver plasma membranes, resulted as follows: (i) both extraction ratio and distribution volume of {sup 125}I-labeled EGF decreased as the injected amount of unlabeled EGF increased; (ii) the ratio plot of the dilution curve for EGF exhibited an upward straight line initially for a short period of time, whereas the ratio plot of somatostatin gradually decreased. The multiple-indicator dilution method was used for other peptides also. Insulin and glucagon, known to have hepatocyte receptors, behaved similarly to EGF in shape of their ratio plots. The kinetic parameters calculated by this analysis were comparable with reported values obtained by in vitro direct binding measurements at equilibrium using liver homogenates. They conclude that the multiple-indicator dilution method is a good tool for analyzing the dynamics of peptide hormones-cell-surface receptor interaction under a condition in which spatial architecture of the liver is maintained.

  17. Kinetic investigation of wood pyrolysis

    SciTech Connect

    Thurner, F.; Mann, U.; Beck, S. R.

    1980-06-01

    The objective of this investigation was to determine the kinetics of the primary reactions of wood pyrolysis. A new experimental method was developed which enabled us to measure the rate of gas, tar, and char production while taking into account the temperature variations during the wood heating up. The experimental method developed did not require any sophisticated instruments. It facilitated the collection of gas, tar and residue (unreacted wood and char) as well as accurate measurement of the temperature inside the wood sample. Expressions relating the kinetic parameters to the measured variables were derived. The pyrolysis kinetics was investigated in the range of 300 to 400/sup 0/C at atmospheric pressure and under nitrogen atmosphere. Reaction temperature and mass fractions of gas, tar, and residue were measured as a function of time. Assuming first-order reactions, the kinetic parameters were determined using differential method. The measured activation energies of wood pyrolysis to gas, tar, and char were 88.6, 112.7, and 106.5 kJ/mole, respectively. These kinetic data were then used to predict the yield of the various pyrolysis products. It was found that the best prediction was obtained when an integral-mean temperature obtained from the temperature-time curve was used as reaction temperature. The pyrolysis products were analyzed to investigate the influence of the pyrolysis conditions on the composition. The gas consisted mainly of carbon dioxide, carbon monoxide, oxygen, and C/sub 3//sup +/-compounds. The gas composition depended on reaction time as well as reactor temperature. The tar analysis indicated that the tar consisted of about seven compounds. Its major compound was believed to be levoglucosan. Elemental analysis for the char showed that the carbon content increased with increasing temperature.

  18. Magnetic hyperthermia properties of nanoparticles inside lysosomes using kinetic Monte Carlo simulations: Influence of key parameters and dipolar interactions, and evidence for strong spatial variation of heating power

    NASA Astrophysics Data System (ADS)

    Tan, R. P.; Carrey, J.; Respaud, M.

    2014-12-01

    Understanding the influence of dipolar interactions in magnetic hyperthermia experiments is of crucial importance for fine optimization of nanoparticle (NP) heating power. In this study we use a kinetic Monte Carlo algorithm to calculate hysteresis loops that correctly account for both time and temperature. This algorithm is shown to correctly reproduce the high-frequency hysteresis loop of both superparamagnetic and ferromagnetic NPs without any ad hoc or artificial parameters. The algorithm is easily parallelizable with a good speed-up behavior, which considerably decreases the calculation time on several processors and enables the study of assemblies of several thousands of NPs. The specific absorption rate (SAR) of magnetic NPs dispersed inside spherical lysosomes is studied as a function of several key parameters: volume concentration, applied magnetic field, lysosome size, NP diameter, and anisotropy. The influence of these parameters is illustrated and comprehensively explained. In summary, magnetic interactions increase the coercive field, saturation field, and hysteresis area of major loops. However, for small amplitude magnetic fields such as those used in magnetic hyperthermia, the heating power as a function of concentration can increase, decrease, or display a bell shape, depending on the relationship between the applied magnetic field and the coercive/saturation fields of the NPs. The hysteresis area is found to be well correlated with the parallel or antiparallel nature of the dipolar field acting on each particle. The heating power of a given NP is strongly influenced by a local concentration involving approximately 20 neighbors. Because this local concentration strongly decreases upon approaching the surface, the heating power increases or decreases in the vicinity of the lysosome membrane. The amplitude of variation reaches more than one order of magnitude in certain conditions. This transition occurs on a thickness corresponding to approximately 1.3 times the mean distance between two neighbors. The amplitude and sign of this variation is explained. Finally, implications of these various findings are discussed in the framework of magnetic hyperthermia optimization. It is concluded that feedback on two specific points from biology experiments is required for further advancement of the optimization of magnetic NPs for magnetic hyperthermia. The present simulations will be an advantageous tool to optimize magnetic NPs heating power and interpret experimental results.

  19. Subcritical hydrothermal liquefaction of cattle manure to bio-oil: Effects of conversion parameters on bio-oil yield and characterization of bio-oil.

    PubMed

    Yin, Sudong; Dolan, Ryan; Harris, Matt; Tan, Zhongchao

    2010-05-01

    In this study, cattle manure was converted to bio-oil by subcritical hydrothermal liquefaction in the presence of NaOH. The effects of conversion temperature, process gas, initial conversion pressure, residence time and mass ratio of cattle manure to water on the bio-oil yield were studied. The bio-oil was characterized in terms of elemental composition, higher heating value, ultraviolet-visible (UV/Vis) spectroscopy, Fourier transform infrared spectroscopy (FTIR), gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). Results showed that the bio-oil yield depended on the conversion temperature and the process gas. Higher initial conversion pressure, longer residence time and larger mass ratio of cattle manure to water, however, had negative impacts on the bio-oil yield. The higher heating value of bio-oil was 35.53MJ/kg on average. The major non-polar components of bio-oil were toluene, ethyl benzene and xylene, which are components of crude oil, gasoline and diesel. PMID:20083403

  20. Kinetics of ethanol production from sugarcane bagasse enzymatic hydrolysate concentrated with molasses under cell recycle.

    PubMed

    de Andrade, Rafael Ramos; Maugeri Filho, Francisco; Maciel Filho, Rubens; da Costa, Aline Carvalho

    2013-02-01

    In this work, a kinetic model for ethanol fermentation from sugarcane bagasse enzymatic hydrolysate concentrated with molasses was developed. A model previously developed for fermentation of pure molasses was modified by the inclusion of a new term for acetic acid inhibition on microorganism growth rate and the kinetic parameters were estimated as functions of temperature. The influence of the hydrolysate on the kinetic parameters is analyzed by comparing with the parameters from fermentation of pure molasses. The impact of cells recycling in the kinetic parameters is also evaluated, as well as on the ethanol yield and productivity. The model developed described accurately most of the fermentations performed in several successive batches for temperatures from 30 to 38°C. PMID:23313680

  1. Biosorption of Cr(VI) by Ceratocystis paradoxa MSR2 Using Isotherm Modelling, Kinetic Study and Optimization of Batch Parameters Using Response Surface Methodology

    PubMed Central

    Ramalingam, Chidambaram

    2015-01-01

    This study is focused on the possible use of Ceratocystis paradoxa MSR2 native biomass for Cr(VI) biosorption. The influence of experimental parameters such as initial pH, temperature, biomass dosage, initial Cr(VI) concentration and contact time were optimized using batch systems as well as response surface methodology (RSM). Maximum Cr(VI) removal of 68.72% was achieved, at an optimal condition of biomass dosage 2g L?1, initial Cr(VI) concentration of 62.5 mg L?1 and contact time of 60 min. The closeness of the experimental and the predicted values exhibit the success of RSM. The biosorption mechanism of MSR2 biosorbent was well described by Langmuir isotherm and a pseudo second order kinetic model, with a high regression coefficient. The thermodynamic study also revealed the spontaneity and exothermic nature of the process. The surface characterization using FT-IR analysis revealed the involvement of amine, carbonyl and carboxyl groups in the biosorption process. Additionally, desorption efficiency of 92% was found with 0.1 M HNO3. The Cr(VI) removal efficiency, increased with increase in metal ion concentration, biomass concentration, temperature but with a decrease in pH. The size of the MSR2 biosorbent material was found to be 80 ?m using particle size analyzer. Atomic force microscopy (AFM) visualizes the distribution of Cr(VI) on the biosorbent binding sites with alterations in the MSR2 surface structure. The SEM-EDAX analysis was also used to evaluate the binding characteristics of MSR2 strain with Cr(VI) metals. The mechanism of Cr(VI) removal of MSR2 biomass has also been proposed. PMID:25822726

  2. A coupled transport and solid mechanics formulation with improved reaction kinetics parameters for modeling oxidation and decomposition in a uranium hydride bed.

    SciTech Connect

    Salloum, Maher N.; Shugard, Andrew D.; Kanouff, Michael P.; Gharagozloo, Patricia E.

    2013-03-01

    Modeling of reacting flows in porous media has become particularly important with the increased interest in hydrogen solid-storage beds. An advanced type of storage bed has been proposed that utilizes oxidation of uranium hydride to heat and decompose the hydride, releasing the hydrogen. To reduce the cost and time required to develop these systems experimentally, a valid computational model is required that simulates the reaction of uranium hydride and oxygen gas in a hydrogen storage bed using multiphysics finite element modeling. This SAND report discusses the advancements made in FY12 (since our last SAND report SAND2011-6939) to the model developed as a part of an ASC-P&EM project to address the shortcomings of the previous model. The model considers chemical reactions, heat transport, and mass transport within a hydride bed. Previously, the time-varying permeability and porosity were considered uniform. This led to discrepancies between the simulated results and experimental measurements. In this work, the effects of non-uniform changes in permeability and porosity due to phase and thermal expansion are accounted for. These expansions result in mechanical stresses that lead to bed deformation. To describe this, a simplified solid mechanics model for the local variation of permeability and porosity as a function of the local bed deformation is developed. By using this solid mechanics model, the agreement between our reacting bed model and the experimental data is improved. Additionally, more accurate uranium hydride oxidation kinetics parameters are obtained by fitting the experimental results from a pure uranium hydride oxidation measurement to the ones obtained from the coupled transport-solid mechanics model. Finally, the coupled transport-solid mechanics model governing equations and boundary conditions are summarized and recommendations are made for further development of ARIA and other Sandia codes in order for them to sufficiently implement the model.

  3. Increasing Yield

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Maize yield improvement in the 20th century represents one of the great success stories of plant breeding and agronomy. Maize grain yield in the United States has increased on average by 0.122 metric tons per hectare per year since 1945 (Figure 1). This is in sharp contrast to essentially zero gain ...

  4. A combined method for determining inhibition type, kinetic parameters, and inhibition coefficients for aerobic cometabolism of 1,1,1-trichloroethane by a

    E-print Network

    Semprini, Lewis

    for aerobic cometabolism of 1,1,1-trichloroethane by a butane-grown mixed culture Kim Y, Arp DJ, Semprini L was validated by applying it to data obtained from batch kinetics of the aerobic cometabolism of 1

  5. Kinetic and process studies on free and solid acid catalyzed hydrolysis of biomass substrates

    SciTech Connect

    Abasaeed, A.E.

    1987-01-01

    Trifluoroacetic acid (TFA) was tested as a catalyst for cellulose hydrolysis. Eighty percent conversion of cellulose into glucose was obtained with concentrated TFA. The kinetics of TFA catalyzed cellulose hydrolysis was investigated. The reaction was found to follow first order kinetics for both hydrolysis and decomposition. The kinetic parameters were determined from experimental data covering conditions of 160-180 C, 10-30% acid, and 1:2 solid to liquid ratio. The hydrolysis reaction was found to be more sensitive to temperature than the decomposition reaction. Use of TFA was further investigated as a pretreatment for enzymatic hydrolysis of cellulose. A two-fold increase in sugar yields was obtained for TFA pretreated samples in comparison to untreated ones. The kinetics of hydrolysis of prehydrolyzed wood by sulfuric acid was investigated. The substrate was first treated with 0.75% acid at 184 C for 4 minutes to remove hemicellulose. The kinetic parameters were determined in the range of 198-215 C and 1-3% acid. A heterogeneous kinetic model was developed to study the effect of particle size on acid hydrolysis of cellulose. It was found that as the chip size increases, maximum glucose yield decreases and reaction time at which maximum yield occurs increases. Acidic zeolites (LZ-M-8) were investigated as catalysts for hydrolysis reaction of inulin into fructose. The hydrolysis reaction was found to follow first order kinetics. Products containing 96 and 75% fructose were obtained upon hydrolysis respectively from inulin and extract.

  6. DIRECT COMPARISON OF KINETIC AND LOCAL EQUILIBRIUM FORMULATIONS FOR SOLUTE TRANSPORT AFFECTED BY SURFACE REACTIONS.

    USGS Publications Warehouse

    Bahr, Jean M.; Rubin, Jacob

    1987-01-01

    Modeling transport of reacting solutes in porous media often requires a choice between models based on the local equilibrium assumption (LEA) and models involving reaction kinetics. Direct comparison of the mathematical formulations for these two types of transport models can aid in this choice. For cases of transport affected by surface reaction, such a comparison is made possible by a new derivation procedure. This procedure yields a kinetics-based formulation that is the sum of the LEA formulation and one or more kinetically influenced terms. The dimensionless form of the new kinetics-based formulation facilitates identification of critical parameter groupings which control the approach to transport behavior consistent with LEA model predictions. Results of numerical experiments demonstrate that criteria for LEA applicability can be expressed conveniently in terms of these parameter groupings. The derivation procedure is demonstrated for examples of surface reactions including first-order reversible sorption, Langmuir-type kinetics and binary, homovalent ion exchange.

  7. New kinetic parameters for rat liver arginase measured at near-physiological steady-state concentrations of arginine and Mn2+.

    PubMed Central

    Maggini, S; Stoecklin-Tschan, F B; Mörikofer-Zwez, S; Walter, P

    1992-01-01

    A cytosolic cell-free system from rat liver containing the last three enzymes of the urea cycle, a number of cofactors and the substrates aspartate and citrulline was shown to synthesize urea at near-physiological rates ranging between 0.40 and 1.25 mumol/min per g of liver. This system was used to determine the kinetic parameters for arginase. With saturating amounts of Mn2+ (30 microM), arginine remained at a steady-state concentration of 5-35 microM depending on the aspartate and citrulline supply. Vmax. at micromolar arginine concentrations was between 1.10 and 1.25 mumol/min per g of liver, the K0.5 (arginine) between 6.0 and 6.5 microM and positive co-operativity was observed (Hill coefficient 2). Omission of Mn2+ caused a significant accumulation of arginine during the incubation, suggesting a regulatory effect of arginase. Under these conditions, Vmax. was 1.10-1.65 mumol/min per g of liver and the Km (arginine) increased up to 14.4-21.1 microM. The apparent Ka for Mn2+ in the presence of physiological concentrations of ATP, Mg2+ and arginine was calculated to be maximally 8 microM. Initial-velocity experiments with millimolar arginine concentrations as the direct substrate gave the following results, which are in good agreement with literature data. In the absence of Mn2+, Vmax. was 71.3 mumol/min per g of liver and the Km (arginine) 1.58 mM. With 30 microM-Mn2+, Vmax. was 69.4 mumol/min per g of liver and the Km (arginine) decreased to 0.94 mM. On the basis of our results, we propose the presence of high-affinity and low-affinity sites for arginine on rat liver arginase and postulate that alterations in arginase activity arising from changes in the concentration of arginine and of the cofactor Mn2+ may contribute to the regulation of ureagenesis in vivo. PMID:1590754

  8. Neutron monitors and muon detectors for solar modulation studies: Interstellar flux, yield function, and assessment of critical parameters in count rate calculations

    NASA Astrophysics Data System (ADS)

    Maurin, D.; Cheminet, A.; Derome, L.; Ghelfi, A.; Hubert, G.

    2015-01-01

    Particles count rates at given Earth location and altitude result from the convolution of (i) the interstellar (IS) cosmic-ray fluxes outside the solar cavity, (ii) the time-dependent modulation of IS into Top-of-Atmosphere (TOA) fluxes, (iii) the rigidity cut-off (or geomagnetic transmission function) and grammage at the counter location, (iv) the atmosphere response to incoming TOA cosmic rays (shower development), and (v) the counter response to the various particles/energies in the shower. Count rates from neutron monitors or muon counters are therefore a proxy to solar activity. In this paper, we review all ingredients, discuss how their uncertainties impact count rate calculations, and how they translate into variation/uncertainties on the level of solar modulation ? (in the simple Force-Field approximation). The main uncertainty for neutron monitors is related to the yield function. However, many other effects have a significant impact, at the 5-10% level on ? values. We find no clear ranking of the dominant effects, as some depend on the station position and/or the weather and/or the season. An abacus to translate any variation of count rates (for neutron and ? detectors) to a variation of the solar modulation ? is provided.

  9. HCl yield and chemical kinetics study of the reaction of Cl atoms with CH3I at the 298K temperature using the infra-red tunable diode laser absorption spectroscopy.

    PubMed

    Sharma, R C; Blitz, M; Wada, R; Seakins, P W

    2014-07-15

    Pulsed ArF excimer laser (193 nm)-CW infrared (IR) tunable diode laser Herriott type absorption spectroscopic technique has been made for the detection of product hydrochloric acid HCl. Absorption spectroscopic technique is used in the reaction chlorine atoms with methyl iodide (Cl+CH3I) to the study of kinetics on reaction Cl+CH3I and the yield of (HCl). The reaction of Cl+CH3I has been studied with the support of the reaction Cl+C4H10 (100% HCl) at temperature 298 K. In the reaction Cl+CH3I, the total pressure of He between 20 and 125 Torr at the constant concentration of [CH3I] 7.0×10(14) molecule cm(-3). In the present work, we estimated adduct formation is very important in the reaction Cl+CH3I and reversible processes as well and CH3I molecule photo-dissociated in the methyl [CH3] radical. The secondary chemistry has been studied as CH3+CH3ICl = product, and CH3I+CH3ICl = product2. The system has been modeled theoretically for secondary chemistry in the present work. The calculated and experimentally HCl yield nearly 65% at the concentration 1.00×10(14) molecule cm(-3) of [CH3I] and 24% at the concentration 4.0×10(15) molecule cm(-3) of [CH3I], at constant concentration 4.85×10(12) molecule cm(-3) of [CH3], and at 7.3×10(12) molecule cm(-3) of [Cl]. The pressure dependent also studied product of HCl at the constant [CH3], [Cl] and [CH3I]. The experimental results are also very good matching with the modelling work at the reaction CH3+CH3ICl = product (k = (2.75±0.35)×10(-10) s(-1)) and CH3I+CH3ICl = product2 (k = 1.90±0.15)×10(-12) s(-1). The rate coefficients of the reaction CH3+CH3ICl and CH3I+CH3ICl has been made in the present work. The experimental results has been studied by two method (1) phase locked and (2) burst mode. PMID:24667422

  10. Erbium hydride thermal desorption : controlling kinetics.

    SciTech Connect

    Ferrizz, Robert Matthew

    2007-08-01

    Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report show that hydride film processing parameters directly impact thermal stability. Issues to be addressed include desorption kinetics for dihydrides and trihydrides, and the effect of film growth parameters, loading parameters, and substrate selection on desorption kinetics.

  11. In-storage psychrophilic anaerobic digestion: acclimated microbial kinetics.

    PubMed

    King, Susan; Courvoisier, Pierre; Guiot, Serge; Barrington, Suzelle

    2012-01-01

    In-storage psychrophilic anaerobic digestion develops by microbial acclimation in covered swine-manure storage tanks, producing CH4 and stabilizing organic matter. To optimize the system's performance, the process kinetics must be understood. The objective of this study was to evaluate kinetic parameters describing the major stages in the digestion process, and to investigate the effect of temperature acclimation on these parameters. Specific activity tests were performed using manure inocula and five substrates at three incubation temperatures. Extant substrate activities were determined analytically for each case, and intrinsic kinetic parameters for glucose uptake were estimated by grid search fitting to the Monod model. The results demonstrate that this acclimated microbial community exhibits different kinetic parameters to those of the mesophilic communities currently modelled in the literature, with increased activity at low temperatures, varying with substrate and temperature. For glucose, the higher uptake is accompanied by lower microbial yield and half-saturation constant. Decomposing these values suggests that active psychrophilic and mesophilic microbial populations co-exist within the community. This work also confirms that a new method of assessing microbial substrate kinetics must be developed for manure microbial communities, separating microbial mass from other suspended organics. PMID:22988638

  12. An analytical model of nonproportional scintillator light yield in terms of recombination rates

    SciTech Connect

    Bizarri, G.; Moses, W. W.; Singh, J.; Vasil'ev, A. N.; Williams, R. T.

    2009-02-15

    Analytical expressions for the local light yield as a function of the local deposited energy (-dE/dx) and total scintillation yield integrated over the track of an electron of initial energy E are derived from radiative and/or nonradiative rates of first through third order in density of electronic excitations. The model is formulated in terms of rate constants, some of which can be determined independently from time-resolved spectroscopy and others estimated from measured light yield efficiency as a constraint assumed to apply in each kinetic order. The rates and parameters are used in the theory to calculate scintillation yield versus primary electron energy for comparison to published experimental results on four scintillators. Influence of the track radius on the yield is also discussed. Results are found to be qualitatively consistent with the observed scintillation light yield. The theory can be applied to any scintillator if the rates of the radiative and nonradiative processes are known.

  13. Parallel versus off-pathway Michaelis-Menten mechanism for single-enzyme kinetics of a fluctuating enzyme

    E-print Network

    Kumar, Ashutosh; Dua, Arti

    2015-01-01

    Recent fluorescence spectroscopy measurements of the turnover time distribution of single-enzyme turnover kinetics of $\\beta$-galactosidase provide evidence of Michaelis-Menten kinetics at low substrate concentration. However, at high substrate concentrations, the dimensionless variance of the turnover time distribution shows systematic deviations from the Michaelis-Menten prediction. This difference is attributed to conformational fluctuations in both the enzyme and the enzyme-substrate complex and to the possibility of both parallel and off-pathway kinetics. Here, we use the chemical master equation to model the kinetics of a single fluctuating enzyme that can yield a product through either parallel or off-pathway mechanisms. An exact expression is obtained for the turnover time distribution from which the mean turnover time and randomness parameters are calculated. The parallel and off-pathway mechanisms yield strikingly different dependences of the mean turnover time and the randomness parameter on the su...

  14. Combustion kinetics of coal dust

    SciTech Connect

    Sal`nikov, A.V.; Repic, B.S.; Radulovic, P.T.; Jovanovic, L.L.

    1995-10-01

    A method for determining parameters that are important for the combustion kinetics of coal dust is developed. Values of these parameters for six types of lignite are obtained from experimental results on combustion of coal dust in a laboratory furnace.

  15. Temperature-Dependent Kinetics Studies of the Reactions Br((sup 2)P3/2) + H2S yields SH + HBr and Br((sup 2)P3/2) + CH3SH yields CH3S + HBr. Heats of Formation of SH and CH3S Radicals

    NASA Technical Reports Server (NTRS)

    Nicovich, J. M.; Kreutter, K. D.; vanDijk, C. A.; Wine, P. H.

    1997-01-01

    Time resolved resonance fluorescence detection of Br(sup 2)P3/2) atom disappearance or appearance following 266-nm laser flash photolysis of CF2Br2/H2S/H2/N2, CF2Br2/CH3SH/H2/N2, Cl2CO/H2S/HBr/N2, and CH3SSCH3/HBr/H2/N2 mixtures has been employed to study the kinetics of the reactions Br((sup 2)P3/2) + H2S = SH + HBr (1,-1) and Br((sup2)P3/2) + CH3SH = CH3S + HBr (2, -2) as a function of temperature over the range 273-431K. Arrhenius expressions in units of 10(exp -12) cu cm/molecule/s which describe the results are k1 = (14.2 +/- 3.4) exp[(-2752 +/- 90)/T],(k-1) = (4.40 +/- 0.92) exp[(-971 +/- 73)/T],k(2) = (9.24 +/- 1.15) exp[(-386 +/- 41)/T], and k(-2) = (1.46 +/-0.21) exp[(-399 +/-41)/T; errors are 2 sigma and represent precision only. By examining Br((sup 2)P3/2) equilibrium kinetics following 355nm laser flash photolysis of Br2/CH3SH/H2/N2 mixtures, a 298 K rate coefficient of (1.7 +/- 0.5) x 10(exp -10) cu cm/molecule/s has been obtained for the reaction CH3S + Br2 yields CH3SBr + Br. To our knowledge, these are the first kinetic data reported for each of the reactions studied. Measured rate coefficients, along with known rate coefficients for similar radical + H2S, CH3SH, HBr,Br2 reactions are considered in terms of possible correlations of reactivity with reaction thermochemistry and with IP - EA, the difference between the ionization potential of the electron donor and the electron affinity of the electron acceptor. Both thermochemical and charge-transfer effects appear to be important in controlling observed reactivities. Second and third law analyses of the equilibrium data for reactions 1 and 2 have been employed to obtain the following enthalpies of reaction in units of kcal/mol: for reaction 1, Delta-H(298) = 3.64 +/- 0.43 and Delta-H(0) = 3.26 +/-0.45; for reaction 2, Delta-H(298) = -0.14 +/- 0.28 and Delta-H(0) = -0.65 +/- 0.36. Combining the above enthalpies of reaction with the well-known heats of formation of Br, HBr, H2S, and CH3SH gives the following heats of formation for the RS radicals in units of kcal/mol: Delta-H(sub f)(sub 0)(SH) = 34.07 +/- 0.72, Delta-H(sub f)(sub 298)(SH) = 34.18 +/- 0.68, Delta-H(sub f)(sub 0)(CH3S) = 31.44 +/- 0.54, Delta-H(sub f)(sub 298)(CH3S) = 29.78 +/- 0.44; errors are 2 sigma and represent estimates of absolute accuracy. The SH heat of formation determined from our data agrees well with literature values but has reduced error limits compared to other available values. The CH3S heat of formation determined from our date is near the low end of the range of previous estimates and is 3-4 kcal/mol lower than values derived from recent molecular beam photofragmentation studies.

  16. Evaluation and modeling of thermal kinetic degradation for PVA doped PbS quantum dot

    SciTech Connect

    Mahmoud, Waleed E.; Al-Heniti, S.H.

    2011-09-15

    Highlights: {yields} Synthesis of PVA doped PbS quantum dots. {yields} Data fitting using integral and differential thermal kinetic models for calculating activation energy. {yields} Prediction of thermal degradation using iso-conversion model. -- Abstract: The kinetic analysis of the thermogravimetric curves for the thermal decomposition processes of PVA/PbS was performed. The samples were heated in nitrogen, with three different heating rates: 10, 20 and 30 {sup o}C min{sup -1}. Various forms of non-isothermal methods of analysis for determining the kinetic parameters were used. The differential and integral models were used to calculate the activation energies. Comparing with pure PVA, the results showed that the maximum activation energy of thermal degradation is achieved for PVA/PbS nanocomposite. Isoconversion model is used for predicting the thermal degradation acceleration. The results showed that the acceleration of thermal degradation for pure PVA was faster than PVA/PbS nanocomposite.

  17. Kinetics of Enzymatic Depolymerization of Guar Galactomannan

    E-print Network

    Khan, Saad A.

    Kinetics of Enzymatic Depolymerization of Guar Galactomannan Shamsheer Mahammad, Robert K. Prud, 2006 A new mathematical model based on Michaelis Menten (MM) kinetics is developed to predict types of bonds with different MM kinetic parameters. The overall kinetics of the enzymatic reactions

  18. EVALUATION OF CHEMICAL REACTION MECHANISMS FOR PHOTOCHEMICAL SMOG. PART 3. SENSITIVITY OF EKMA (EMPIRICAL KINETIC MODELING APPROACH) TO CHEMICAL MECHANISM AND INPUT PARAMETERS

    EPA Science Inventory

    Six chemical reaction mechanisms for photochemical smog were used to study the effect of input parameters on volatile organic compound (VOC) control requirements needed to reduce ozone. The parameters studied were initial VOC composition, dilution rate, post 8-A.M. emissions, bas...

  19. Kinetics of changes in shelf life parameters during storage of pearl millet based kheer mix and development of a shelf life prediction model.

    PubMed

    Bunkar, Durga Shankar; Jha, Alok; Mahajan, Ankur; Unnikrishnan, V S

    2014-12-01

    Pearl millet, dairy whitener and sugar powder were blended for preparing pearl millet kheer mix. Pearl millet based kheer mix samples were stored at 8, 25, 37 and 45 °C under nitrogen flushing environment. Changes in HMF and TBA formation in the dry mix and sensory changes in reconstituted kheer were studied upto 180 days. In fresh dry mix, the average value of HMF recorded was 4.87 ?mol/g which increased to 11.23, 13.67, 18.13, and 21.43 ?mol/g at 8, 25, 37 and 45 °C, respectively after 180 days of storage. From an initial value of 0.067, the TBA value increased to 0.219, 0.311, 0.432 and 0.613 at 532 nm at 8, 25, 37 and 45 °C, respectively after 180 days of storage. Data generated from the chemical kinetics of HMF and TBA development that progressed during storage of pearl millet kheer mix were modeled using Arrhenius equations to predict the shelf life of the product. Changes in HMF and TBA followed first order reaction kinetics. It was found that the potential shelf life of the pearl millet based kheer mix was 396 days at 8 and 288 days at 25 °C, respectively. PMID:25477640

  20. Kinetic Atom.

    ERIC Educational Resources Information Center

    Wilson, David B.

    1981-01-01

    Surveys the research of scientists like Joule, Kelvin, Maxwell, Clausius, and Boltzmann as it comments on the basic conceptual issues involved in the development of a more precise kinetic theory and the idea of a kinetic atom. (Author/SK)

  1. Kinetics of the processes, plasma parameters, and output characteristics of a UV emitter operating on XeI molecules and iodine molecules and atoms

    SciTech Connect

    Shuaibov, A. K.; Grabovaya, I. A.; Minya, A. I.; Homoki, Z. T.; Kalyuzhnaya, A. G.; Shchedrin, A. I.

    2011-03-15

    A kinetic model of the processes occurring in the plasma of a high-power low-pressure gas-discharge lamp is presented, and the output characteristics of the lamp are described. The lamp is excited by a longitudinal glow discharge and emits the I{sub 2}(D Prime -A Prime ) 342-nm and XeI(B-X) 253-nm bands and the 206.2-nm spectral line of atomic iodine. When the emitter operates in a sealed-off mode on the p(He): p(Xe): p(I{sub 2}) = 400: 120: (100-200) Pa mixture, the fractions of the UV radiation power of iodine atoms, exciplex molecules of xenon iodide, and iodine molecules comprise 55, 10, and 35%, respectively. At the optimal partial pressure, the maximum total radiation power of the lamp reaches 37 W, the energy efficiency being about 15%.

  2. Advanced oxidation of the commercial nonionic surfactant octylphenol polyethoxylate TritonTM X-45 by the persulfate/UV-C process: effect of operating parameters and kinetic evaluation

    NASA Astrophysics Data System (ADS)

    Arslan-Alaton, Idil; Olmez-Hanci, Tugba; Genc, Bora; Dursun, Duygu

    2013-03-01

    This study explored the potential use of a sulfate radical (SO4?-)-based photochemical oxidation process to treat the commercial nonionic surfactant octylphenol polyethoxylate (OPPE) TritonTMX-45. For this purpose, the effect of initial S2O82- (0-5.0 mM) and OPPE (10-100 mg/L) concentrations on OPPE and its organic carbon content (TOC) removal were investigated at an initial reaction pH of 6.5. Results indicated that very fast OPPE degradation (100%) accompanied with high TOC abatement rates (90%) could be achieved for 10 and 20 mg/L aqueous OPPE at elevated S2O82- concentrations (>2.5 mM). S2O82-/UV-C treatment was still capable of complete OPPE removal up to an initial concentration of 40 mg/L in the presence of 2.5 mM S2O82-. On the other hand, TOC removal efficiencies dropped down to only 40% under the same reaction conditions. S2O82-/UV-C oxidation of OPPE was also compared with the relatively well-known and established H2O2/UV-C oxidation process. Treatment results showed that the performance of S2O82-/UV-C was comparable to that of H2O2/UV-C oxidation for the degradation and mineralization of OPPE. In order to elucidate the relative reactivity and selectivity of SO4?- and HO?, bimolecular reaction rate coefficients of OPPE with SO4?- and HO? were determined by employing competition kinetics with aqueous phenol (47 ?M) selected as the reference compound. The first-order abatement rate coefficient obtained for OPPE during S2O82-/UV-C oxidation (0.044 min-1) was found to be significantly lower than that calculated for phenol (0.397 min-1). In the case of H2O2/UV-C oxidation however, similar first-order abatement rate coefficients were obtained for both OPPE (0.087 min-1) and phenol (0.140 min-1). Second-order reaction rate coefficients for OPPE with SO4?- and HO? were determined as 9.8?108 M-1s-1 and 4.1?109 M-1s-1, respectively. The kinetic study also revealed that the selectivity of SO4?- was found to be significantly higher than that of HO?.

  3. Dynamic contrast-enhanced CT of head and neck tumors: perfusion measurements using a distributed-parameter tracer kinetic model. Initial results and comparison with deconvolution-based analysis

    NASA Astrophysics Data System (ADS)

    Bisdas, Sotirios; Konstantinou, George N.; Sherng Lee, Puor; Thng, Choon Hua; Wagenblast, Jens; Baghi, Mehran; San Koh, Tong

    2007-10-01

    The objective of this work was to evaluate the feasibility of a two-compartment distributed-parameter (DP) tracer kinetic model to generate functional images of several physiologic parameters from dynamic contrast-enhanced CT data obtained of patients with extracranial head and neck tumors and to compare the DP functional images to those obtained by deconvolution-based DCE-CT data analysis. We performed post-processing of DCE-CT studies, obtained from 15 patients with benign and malignant head and neck cancer. We introduced a DP model of the impulse residue function for a capillary-tissue exchange unit, which accounts for the processes of convective transport and capillary-tissue exchange. The calculated parametric maps represented blood flow (F), intravascular blood volume (v1), extravascular extracellular blood volume (v2), vascular transit time (t1), permeability-surface area product (PS), transfer ratios k12 and k21, and the fraction of extracted tracer (E). Based on the same regions of interest (ROI) analysis, we calculated the tumor blood flow (BF), blood volume (BV) and mean transit time (MTT) by using a modified deconvolution-based analysis taking into account the extravasation of the contrast agent for PS imaging. We compared the corresponding values by using Bland-Altman plot analysis. We outlined 73 ROIs including tumor sites, lymph nodes and normal tissue. The Bland-Altman plot analysis revealed that the two methods showed an accepted degree of agreement for blood flow, and, thus, can be used interchangeably for measuring this parameter. Slightly worse agreement was observed between v1 in the DP model and BV but even here the two tracer kinetic analyses can be used interchangeably. Under consideration of whether both techniques may be used interchangeably was the case of t1 and MTT, as well as for measurements of the PS values. The application of the proposed DP model is feasible in the clinical routine and it can be used interchangeably for measuring blood flow and vascular volume with the commercially available reference standard of the deconvolution-based approach. The lack of substantial agreement between the measurements of vascular transit time and permeability-surface area product may be attributed to the different tracer kinetic principles employed by both models and the detailed capillary tissue exchange physiological modeling of the DP technique.

  4. Measurements of the Branching Fractions for {psi}(3770){yields}D{sup 0}D{sup 0}, D{sup +}D{sup -}, DD, and the Resonance Parameters of {psi}(3770) and {psi}(2S)

    SciTech Connect

    Ablikim, M.; Bai, J. Z.; Bian, J. G.; Cai, X.; Chen, H. S.; Chen, H. X.; Chen, J. C.; Chen, Jin; Chen, Y. B.; Chu, Y. P.; Cui, X. Z.; Deng, Z. Y.; Dong, L. Y.; Du, S. X.; Du, Z. Z.; Fang, J.; Fu, C. D.; Gao, C. S.; Gu, S. D.; Guo, Y. N.

    2006-09-22

    We measure the branching fractions for {psi}(3770){yields}D{sup 0}D{sup 0}, D{sup +}D{sup -}, DD, and non-DD to be (46.7{+-}4.7{+-}2.3)%, (36.9{+-}3.7{+-}2.8)%, (83.6{+-}7.3{+-}4.2)%, and (16.4{+-}7.3{+-}4.2)%, respectively. The resonance parameters of {psi}(3770) and {psi}(2S) are measured to be M{sub {psi}}{sub (3770)}=3772.2{+-}0.7{+-}0.3 MeV, {gamma}{sub {psi}}{sub (3770)}{sup tot}=26.9{+-}2.4{+-}0.3 MeV, and {gamma}{sub {psi}}{sub (3770)}{sup ee}=251{+-}26{+-}11 eV; M{sub {psi}}{sub (2S)}=3685.5{+-}0.0{+-}0.3 MeV, {gamma}{sub {psi}}{sub (2S)}{sup tot}=331{+-}58{+-}2 keV, and {gamma}{sub {psi}}{sub (2S)}{sup ee}=2.330{+-}0.036{+-}0.110 keV. We also measure the light hadron R value to be R{sub uds}=2.262{+-}0.054{+-}0.109 in the energy region from 3.660 to 3.872 GeV.

  5. Effect of driver impedance on dense plasma focus Z-pinch neutron yield

    SciTech Connect

    Sears, Jason E-mail: schmidt36@llnl.gov; Link, Anthony E-mail: schmidt36@llnl.gov; Schmidt, Andrea E-mail: schmidt36@llnl.gov; Welch, Dale

    2014-12-15

    The Z-pinch phase of a dense plasma focus (DPF) heats the plasma by rapid compression and accelerates ions across its intense electric fields, producing neutrons through both thermonuclear and beam-target fusion. Driver characteristics have empirically been shown to affect performance, as measured by neutron yield per unit of stored energy. We are exploring the effect of driver characteristics on DPF performance using particle-in-cell (PIC) simulations of a kJ scale DPF. In this work, our PIC simulations are fluid for the run-down phase and transition to fully kinetic for the pinch phase, capturing kinetic instabilities, anomalous resistivity, and beam formation during the pinch. The anode-cathode boundary is driven by a circuit model of the capacitive driver, including system inductance, the load of the railgap switches, the guard resistors, and the coaxial transmission line parameters. It is known that the driver impedance plays an important role in the neutron yield: first, it sets the peak current achieved at pinch time; and second, it affects how much current continues to flow through the pinch when the pinch inductance and resistance suddenly increase. Here we show from fully kinetic simulations how total neutron yield depends on the impedance of the driver and the distributed parameters of the transmission circuit. Direct comparisons between the experiment and simulations enhance our understanding of these plasmas and provide predictive design capability for neutron source applications.

  6. Effect of driver impedance on dense plasma focus Z-pinch neutron yield

    NASA Astrophysics Data System (ADS)

    Sears, Jason; Link, Anthony; Schmidt, Andrea; Welch, Dale

    2014-12-01

    The Z-pinch phase of a dense plasma focus (DPF) heats the plasma by rapid compression and accelerates ions across its intense electric fields, producing neutrons through both thermonuclear and beam-target fusion. Driver characteristics have empirically been shown to affect performance, as measured by neutron yield per unit of stored energy. We are exploring the effect of driver characteristics on DPF performance using particle-in-cell (PIC) simulations of a kJ scale DPF. In this work, our PIC simulations are fluid for the run-down phase and transition to fully kinetic for the pinch phase, capturing kinetic instabilities, anomalous resistivity, and beam formation during the pinch. The anode-cathode boundary is driven by a circuit model of the capacitive driver, including system inductance, the load of the railgap switches, the guard resistors, and the coaxial transmission line parameters. It is known that the driver impedance plays an important role in the neutron yield: first, it sets the peak current achieved at pinch time; and second, it affects how much current continues to flow through the pinch when the pinch inductance and resistance suddenly increase. Here we show from fully kinetic simulations how total neutron yield depends on the impedance of the driver and the distributed parameters of the transmission circuit. Direct comparisons between the experiment and simulations enhance our understanding of these plasmas and provide predictive design capability for neutron source applications.

  7. Kinetics and mechanism of X + ClNO yields XCl + NO (X = Cl, F, Br, OH, O, N) from 220 to 450 K. Correlation of reactivity and activation energy with electron affinity of X

    SciTech Connect

    Abbatt, J.P.D.; Toohey, D.W.; Fenter, F.F.; Stevens, P.S.; Brune, W.H.; Anderson, J.G. )

    1989-02-09

    The rate constants for a series of radical reactions with ClNO, X + ClNO {yields} products where X = Cl, F, Br, OH, O, N, have been measured as a function of temperature in discharge flow systems at pressures between 1 and 2 Torr of helium buffer gas. Radicals were detected by resonance fluorescence (X = Cl, Br, OH, O), laser magnetic resonance (X = OH), and chemical conversion/resonance fluorescence (X = F, N). The rate constants, with units of cm{sup 3} molecule{sup {minus}1} s{sup {minus}1} and to 95% confidence level, are for Cl + ClNO {yields} Cl{sub 2} + NO, ((6.6 {plus minus} 1.2) {times} 10{sup {minus}11}) e{sup (128{plus minus}46)/T}; for F + ClNO {yields} FCl + NO, ((1.4 {plus minus} 0.4) {times} 10{sup {minus}10}) e{sup ({minus}28{plus minus}84)/T}; for Br + ClNO {yields} BrCl + NO, ((1.5 {plus minus} 0.2) {times} 10{sup {minus}11}) e{sup ({minus}52{plus minus}43)/T}; for OH + ClNO {yields} ClOH + NO, ((9.0 {plus minus} 4.5) {times} 10{sup {minus}12}) e{sup ({minus}1130{plus minus}170)/T}; for OH + ClNO {yields} HONO + Cl, ((9.2 {plus minus} 6.5) {times} 10{sup {minus}14}) e{sup (240{plus minus}130)/T}; for O + ClNO {yields} ClO + NO, ((8.3 {plus minus} 0.9) {times} 10{sup {minus}12}) e{sup ({minus}1520{plus minus}35)/T}; and for N + ClNO {yields} NCl + NO, ((9.2 {plus minus} 2.2) {times} 10{sup {minus}12}) e{sup ({minus}2250{plus minus}90)/T}. Both the reaction activation energies and the logarithms of the room temperature rate constants are found to correlate strongly with the electron affinity of the radical in such a way that high electron affinity leads to enhanced reactivity. The reactivity trend is rationalized by a frontier orbital interaction dominated by the ease with which electron transfer from the ClNO molecule to the X radical can occur to stabilize a polar transition state, a mechanism shown to be widely prevalent in radical-molecule systems.

  8. Kinetic distance and kinetic maps from molecular dynamics simulation

    E-print Network

    Noe, Frank

    2015-01-01

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

  9. Kinetic models of opinion formation

    E-print Network

    G. Toscani

    2006-05-17

    We introduce and discuss certain kinetic models of (continuous) opinion formation involving both exchange of opinion between individual agents and diffusion of information. We show conditions which ensure that the kinetic model reaches non trivial stationary states in case of lack of diffusion in correspondence of some opinion point. Analytical results are then obtained by considering a suitable asymptotic limit of the model yielding a Fokker-Planck equation for the distribution of opinion among individuals.

  10. Ethene-Norbornene Copolymerization with Homogeneous Metallocene and Half-Sandwich Catalysts: Kinetics and Relationships between Catalyst Structure and Polymer Structure. 3. Copolymerization Parameters and Copolymerization Diagrams.

    PubMed

    Ruchatz; Fink

    1998-07-28

    The copolymerization parameters of the ethene-norbornene copolymerization using various metallocene and half-sandwich catalysts were determined on the basis of composition data with linear graphical methods: Aside from r1 and r2, values for r11 and r21 could be determined in the case of alternating copolymerizations. In this connection, r21 differs significantly from catalyst to catalyst and reflects the different tendency of each catalyst to produce copolymers with an alternating monomer sequence. The maximum norbornene contents in the copolymer could be achieved by use of sterically less hindered metallocene catalysts. As an exception to this, the half-sandwich catalysts produced copolymers with surprisingly low norbornene contents. PMID:9680398

  11. Effect of Mn and Cr additions on kinetics of recrystallization and parameters of grain-boundary relaxation of Al-4.9Mg alloy

    NASA Astrophysics Data System (ADS)

    Mikhailovskaya, A. V.; Golovin, I. S.; Zaitseva, A. A.; Portnoi, V. K.; Dröttboom, P.; Cifre, J.

    2013-03-01

    Methods of microstructural analysis, measurements of hardness, and temperature and time dependences of internal friction (TDIF and TDIF(iso), respectively) have been used to study recrystallization in cold-rolled alloys and grain-boundary relaxation in annealed alloys. A complex analysis of the effect of additions of transition metals (Mn, Cr) on the magnitude of the activation energy of the background of the internal friction in deformed and annealed states and on the activation parameters of grain-boundary relaxation has been performed. Methods of amplitude dependences of internal friction (ADIF) have been used to determine the critical amplitude that corresponds to the beginning of microplastic deformation in the alloys at different temperatures.

  12. Development of a chemical kinetic model for a biosolids fluidized-bed gasifier and the effects of operating parameters on syngas quality.

    PubMed

    Champion, Wyatt M; Cooper, C David; Mackie, Kevin R; Cairney, Paul

    2014-02-01

    In an effort to decrease the land disposal of sewage sludge biosolids and to recover energy, gasification has become a viable option for the treatment of waste biosolids. The process of gasification involves the drying and devolatilization and partial oxidation of biosolids, followed closely by the reduction of the organic gases and char in a single vessel. The products of gasification include a gaseous fuel composed largely of N2, H2O, CO2, CO, H2, CH4, and tars, as well as ash and unburned solid carbon. A mathematical model was developed using published devolatilization, oxidation, and reduction reactions, and calibrated using data from three different experimental studies of laboratory-scale fluidized-bed sewage sludge gasifiers reported in the literature. The model predicts syngas production rate, composition, and temperature as functions of the biosolids composition and feed rate, the air input rate, and gasifier bottom temperature. Several data sets from the three independent literature sources were reserved for model validation, with a focus placed on five species of interest (CO, CO2, H2, CH4, and C6H6). The syngas composition predictions from the model compared well with experimental results from the literature. A sensitivity analysis on the most important operating parameters of a gasifier (bed temperature and equivalence ratio) was performed as well, with the results of the analysis offering insight into the operations of a biosolids gasifier. PMID:24654385

  13. Inverse Kinetics

    Energy Science and Technology Software Center (ESTSC)

    2000-03-20

    Given the space-independent, one energy group reactor kinetics equations and the initial conditions, this prgram determines the time variation of reactivity required to produce the given input of flux-time data.

  14. Parallel versus Off-Pathway Michaelis-Menten Mechanism for Single-Enzyme Kinetics of a Fluctuating Enzyme.

    PubMed

    Kumar, Ashutosh; Maity, Hiranmay; Dua, Arti

    2015-07-01

    Recent fluorescence spectroscopy measurements of the turnover time distribution of single-enzyme turnover kinetics of ?-galactosidase provide evidence of Michaelis-Menten kinetics at low substrate concentration. However, at high substrate concentrations, the dimensionless variance of the turnover time distribution shows systematic deviations from the Michaelis-Menten prediction. This difference is attributed to conformational fluctuations in both the enzyme and the enzyme-substrate complex and to the possibility of both parallel- and off-pathway kinetics. Here, we use the chemical master equation to model the kinetics of a single fluctuating enzyme that can yield a product through either parallel- or off-pathway mechanisms. An exact expression is obtained for the turnover time distribution from which the mean turnover time and randomness parameters are calculated. The parallel- and off-pathway mechanisms yield strikingly different dependences of the mean turnover time and the randomness parameter on the substrate concentration. In the parallel mechanism, the distinct contributions of enzyme and enzyme-substrate fluctuations are clearly discerned from the variation of the randomness parameter with substrate concentration. From these general results, we conclude that an off-pathway mechanism, with substantial enzyme-substrate fluctuations, is needed to rationalize the experimental findings of single-enzyme turnover kinetics of ?-galactosidase. PMID:26079147

  15. Kinetic Study of Acid Hydrolysis of Rice Straw

    PubMed Central

    Sarkar, Nibedita; Aikat, Kaustav

    2013-01-01

    Rice straw is a renewable, cheap, and abundant waste in tropical countries. The pentose content of rice straw can be used as a substrate for many types of value-added products such as xylitol and biofuel. Dilute acid hydrolysis mainly releases pentose from rice straw. The objective of the study was to determine the effect of H2SO4 concentration and reaction time on the xylose production. The variation of the main product xylose with the reaction time was described by a kinetic model and kinetic parameters were calculated to describe the variation of the xylose production with time. The optimum yield (19.35?g/L) was obtained at 0.24?mol/L H2SO4 and 30 minutes. PMID:25969789

  16. Kinetic study of Acid hydrolysis of rice straw.

    PubMed

    Sarkar, Nibedita; Aikat, Kaustav

    2013-01-01

    Rice straw is a renewable, cheap, and abundant waste in tropical countries. The pentose content of rice straw can be used as a substrate for many types of value-added products such as xylitol and biofuel. Dilute acid hydrolysis mainly releases pentose from rice straw. The objective of the study was to determine the effect of H2SO4 concentration and reaction time on the xylose production. The variation of the main product xylose with the reaction time was described by a kinetic model and kinetic parameters were calculated to describe the variation of the xylose production with time. The optimum yield (19.35?g/L) was obtained at 0.24?mol/L H2SO4 and 30 minutes. PMID:25969789

  17. Simple model relating recombination rates and non-proportional light yield in scintillators

    SciTech Connect

    Moses, William W.; Bizarri, Gregory; Singh, Jai; Vasil'ev, Andrey N.; Williams, Richard T.

    2008-09-24

    We present a phenomenological approach to derive an approximate expression for the local light yield along a track as a function of the rate constants of different kinetic orders of radiative and quenching processes for excitons and electron-hole pairs excited by an incident {gamma}-ray in a scintillating crystal. For excitons, the radiative and quenching processes considered are linear and binary, and for electron-hole pairs a ternary (Auger type) quenching process is also taken into account. The local light yield (Y{sub L}) in photons per MeV is plotted as a function of the deposited energy, -dE/dx (keV/cm) at any point x along the track length. This model formulation achieves a certain simplicity by using two coupled rate equations. We discuss the approximations that are involved. There are a sufficient number of parameters in this model to fit local light yield profiles needed for qualitative comparison with experiment.

  18. Calculation of Kinetics Parameters for the NBSR

    SciTech Connect

    Hanson A. L.; Diamond D.

    2012-03-06

    The delayed neutron fraction and prompt neutron lifetime have been calculated at different times in the fuel cycle for the NBSR when fueled with both high-enriched uranium (HEU) and low-enriched uranium (LEU) fuel. The best-estimate values for both the delayed neutron fraction and the prompt neutron lifetime are the result of calculations using MCNP5-1.60 with the most recent ENDFB-VII evaluations. The best-estimate values for the total delayed neutron fraction from fission products are 0.00665 and 0.00661 for the HEU fueled core at startup and end-of-cycle, respectively. For the LEU fuel the best estimate values are 0.00650 and 0.00648 at startup and end-of-cycle, respectively. The present recommendations for the delayed neutron fractions from fission products are smaller than the value reported previously of 0.00726 for the HEU fuel. The best-estimate values for the contribution from photoneutrons will remain as 0.000316, independent of the fuel or time in the cycle.The values of the prompt neutron lifetime as calculated with MCNP5-1.60 are compared to values calculated with two other independent methods and the results are in reasonable agreement with each other. The recommended, conservative values of the neutron lifetime for the HEU fuel are 650 {micro}s and 750 {micro}s for the startup and end-of-cycle conditions, respectively. For LEU fuel the recommended, conservative values are 600 {micro}s and 700 {micro}s for the startup and end-of-cycle conditions, respectively. In all three calculations, the prompt neutron lifetime was determined to be longer for the end-of-cycle equilibrium condition when compared to the startup condition. The results of the three analyses were in agreement that the LEU fuel will exhibit a shorter prompt neutron lifetime when compared to the HEU fuel.

  19. Comparison of egg and high yielding MDCK cell-derived live attenuated influenza virus for commercial production of trivalent influenza vaccine: in vitro cell susceptibility and influenza virus replication kinetics in permissive and semi-permissive cells.

    PubMed

    Hussain, Althaf I; Cordeiro, Melissa; Sevilla, Elizabeth; Liu, Jonathan

    2010-05-14

    Currently MedImmune manufactures cold-adapted (ca) live, attenuated influenza vaccine (LAIV) from specific-pathogen free (SPF) chicken eggs. Difficulties in production scale-up and potential exposure of chicken flocks to avian influenza viruses especially in the event of a pandemic influenza outbreak have prompted evaluation and development of alternative non-egg based influenza vaccine manufacturing technologies. As part of MedImmune's effort to develop the live attenuated influenza vaccine (LAIV) using cell culture production technologies we have investigated the use of high yielding, cloned MDCK cells as a substrate for vaccine production by assessing host range and virus replication of influenza virus produced from both SPF egg and MDCK cell production technologies. In addition to cloned MDCK cells the indicator cell lines used to evaluate the impact of producing LAIV in cells on host range and replication included two human cell lines: human lung carcinoma (A549) cells and human muco-epidermoid bronchiolar carcinoma (NCI H292) cells. The influenza viruses used to infect the indicators cell lines represented both the egg and cell culture manufacturing processes and included virus strains that composed the 2006-2007 influenza seasonal trivalent vaccine (A/New Caledonia/20/99 (H1N1), A/Wisconsin/67/05 (H3N2) and B/Malaysia/2506/04). Results from this study demonstrate remarkable similarity between influenza viruses representing the current commercial egg produced and developmental MDCK cell produced vaccine production platforms. MedImmune's high yielding cloned MDCK cells used for the cell culture based vaccine production were highly permissive to both egg and cell produced ca attenuated influenza viruses. Both the A549 and NCI H292 cells regardless of production system were less permissive to influenza A and B viruses than the MDCK cells. Irrespective of the indicator cell line used the replication properties were similar between egg and the cell produced influenza viruses. Based on these study results we conclude that the MDCK cell produced and egg produced vaccine strains are highly comparable. PMID:20307595

  20. New kinetic model for thermal decomposition of heterogeneous materials

    SciTech Connect

    Caballero, J.A.; Font, R.; Marcilla, A.; Conesa, J.A.

    1995-03-01

    In the kinetic studies of thermal decomposition of lignocellulosic materials using dynamic TG, relationships between the biomass fraction ``w`` and the time ``t`` of the form dw/dt = {minus}k(w {minus} w{sub {infinity}}){sup n} are usually admitted, and the residue fraction at infinite time (w{sub {infinity}}) is considered constant. However, in heterogeneous solids such as lignocellulosic materials, the different polymers decompose at different temperatures, and so the value of w{sub {infinity}} is not constant, Therefore, the previous equation must be considered approximate. To illustrate this feature, experiments with kraft lignin, which decomposes in an interval of temperatures between 150 and 750 C, have been carried out. A kinetic model is proposed, bearing in mind that there is a maximum pyrolyzable fraction at each temperature. This model considers that the thermal decomposition of a heterogeneous material occurs through a great number of reactions and that at a given temperature only some fractions can decompose. The kinetic parameters (activation energy and preexponential factor) can change during the decomposition process as function of the reactions taking place. Under some assumptions, it is deduced that this model is equivalent to assume the kinetic law dw/dt = {minus}k(w{minus}w{sub {infinity}}) for first-order reaction, where the residue yield w{sub {infinity}} is a function of the temperature.

  1. Kinetic modeling of kraft delignification of Eucalyptus globulus

    SciTech Connect

    Santos, A.; Rodriguez, F.; Gilarranz, M.A.; Moreno, D.; Garcia-Ochoa, F.

    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 effective 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.

  2. MAIZE YIELD POTENTIAL: CRITICAL PROCESSES AND SIMULATION MODELING IN A HIGH-YIELDING ENVIRONMENT

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Accurate parameters describing processes of maize (Zea mays L.) growth and grain yield production in high-yielding, irrigated conditions provide a system for studying grain yield potential in different environments. In this study we measured maize leaf area index (LAI), the light extinction coeffic...

  3. Single event kinetic modeling of the hydrocracking of paraffins 

    E-print Network

    Kumar, Hans

    2004-11-15

    A mechanistic kinetic model for the hydrocracking of paraffins based on the single-event kinetics approach has been studied. Several elements of the model have been improved and the parameters of the model have been estimated from experimental data...

  4. Kinetics and model development for enzymatic synthesis of fructo-oligosaccharides using fructosyltransferase.

    PubMed

    Kashyap, Rahul; Palai, Tapas; Bhattacharya, Prashant K

    2015-12-01

    Experimental investigations were made to synthesize fructo-oligosaccharides (FOS) from sucrose using fructosyltransferase. The influence of various parameters such as temperature (45-55 °C), pH (4-5), initial sucrose concentration (ISC: 300-500 g/L) and enzyme concentration (4-32 U/mL) were varied. A maximum FOS yield of 60 % was observed at ISC 500 g/L, pH 4.5 with enzyme activity 32 U/mL and at 55 °C. It was confirmed that 1-kestose (tri-) was the major product of FOS as compared to nystose (tetra-) and fructosylnystose (penta-saccharides). Further, the reaction rate increases with increase in temperature. From separate sets of experiments, it was observed that FOS formation was affected by glucose inhibition. Apart from the increase in the rate of FOS formation with increasing enzyme activity, the final values of FOS yield increase though till 16 U/mL and thereafter attain plateau. A kinetic model was also developed, based on Michaelis-Menten kinetics, and a five-step ten-parameter model, including glucose inhibition, was obtained. Model was solved using COPASI(®) (version 4.8) solver for kinetic parameter estimations followed by time course simulations. PMID:26437965

  5. Muon Yield Comparisons for Different ICOOL

    E-print Network

    McDonald, Kirk

    1 Muon Yield Comparisons for Different ICOOL Versions and Lattices X. Ding Front End, Nov. 23, 2010 parameters of 11 and 13GeV from interpolation) · Take the muon/pion/kaons at z=0 m from MARS output (Field of Running MARS #12;4 Muon Yield from Different Versions of ICOOL with ST2a-BNL Input Deck #12;5 Muon Yield

  6. Kinetic fractionation of Fe isotopes during transport through a porous quartz-sand column

    E-print Network

    Gvirtzman, Haim

    Kinetic fractionation of Fe isotopes during transport through a porous quartz-sand column Alan defined in terms of two parameters: (i) an equilibrium fractionation factor, ae; and (ii) a kinetic the effects of the kinetic and equilib- rium parameters on the Fe-isotope evolution of porewater. The kinetic

  7. Measurements of Euglena motion parameters by laser light scattering.

    PubMed Central

    Ascoli, C; Barbi, M; Frediani, C; Murè, A

    1978-01-01

    Measurements of Euglena gracilis motion parameters have been performed by the spectral analysis of the scattered laser light. Samples were oriented by a radiofrequency field to obtain easily interpretable spectra. Cell rotation frequency and flagellar beating frequency distributions were obtained from the homodyne spectra, whereas the Doppler lines obtained at small observation angles by heterodyne detection yielded the swimming speed distributions. We discuss the broadening of the heterodyne spectra at large angles of observation. An application of this method to the study of the photo-kinetic effect is also described. Images FIGURE 3 PMID:104747

  8. A Comprehensive Enzyme Kinetic Exercise for Biochemistry

    ERIC Educational Resources Information Center

    Barton, Janice S.

    2011-01-01

    This article describes a comprehensive treatment of experimental enzyme kinetics strongly coupled to electronic data acquisition and use of spreadsheets to organize data and perform linear and nonlinear least-squares analyses, all in a manner that promotes development of important reasoning skills. Kinetic parameters are obtained for the stable…

  9. Hydrodynamics from kinetic models of conservative economies

    E-print Network

    Düring, Bertram

    Hydrodynamics from kinetic models of conservative economies B. D¨uring G. Toscani Abstract of conservative economies, in which the density of wealth depends on additional parameters, like the propensity economy has often been faced by means of methods borrowed from the kinetic theory of rarefied gases [15

  10. Chemical kinetics modeling

    SciTech Connect

    Westbrook, C.K.; Pitz, W.J.

    1993-12-01

    This project emphasizes numerical modeling of chemical kinetics of combustion, including applications in both practical combustion systems and in controlled laboratory experiments. Elementary reaction rate parameters are combined into mechanisms which then describe the overall reaction of the fuels being studied. Detailed sensitivity analyses are used to identify those reaction rates and product species distributions to which the results are most sensitive and therefore warrant the greatest attention from other experimental and theoretical research programs. Experimental data from a variety of environments are combined together to validate the reaction mechanisms, including results from laminar flames, shock tubes, flow systems, detonations, and even internal combustion engines.

  11. Medicinal Chemistry and Enzyme Kinetics

    E-print Network

    Truhlar, Donald G

    of bioavailability and ADMETox in drug design See a separate research highlight on solvation for further medicinalMedicinal Chemistry and Enzyme Kinetics Elizabeth Amin and C. R. Wagner, Medicinal Chemistry Jiali and parameters for MM, QM/MM work Prof. Elizabeth A. Amin, Department of Medicinal Chemistry, College of Pharmacy

  12. Application of Genetic Algorithms and Thermogravimetry to Determine the Kinetics of Polyurethane Foam in Smoldering Combustion 

    E-print Network

    Rein, Guillermo; Lautenberger, Chris; Fernandez-Pello, Carlos; Torero, Jose L; Urban, David

    In this work, the kinetic parameters governing the thermal and oxidative degradation of flexible polyurethane foam are determined using thermogravimetric data and a genetic algorithm. These kinetic parameters are needed ...

  13. Reinvestigation of the elementary chemical kinetics of the reaction C2H5(•) + HBr (HI) ? C2H6 + Br(•) (I(•)) in the range 293-623 K and its implication on the thermochemical parameters of C2H5(•) free radical.

    PubMed

    Leplat, N; Wokaun, A; Rossi, M J

    2013-11-14

    A reinvestigation of the absolute rate constants of the metathesis reactions C2H5• + HBr ? C2H6 + Br• (R1) and C2H5• + HI ? C2H6 + I• (R2) has been performed and led to the following Arrhenius expressions: k1 = 3.69(±0.95) × 10–11 exp(?10.62(±0.66)/RT), k2 = 1.20(±0.38) × 10–11 exp(?7.12(±1.059)/RT) in the temperature range 293–623 K (A/cm3 molecule–1 s–1, Ea/kJ mol–1). The study has been performed using a Knudsen reactor coupled to single-photon (VUV) photoionization mass spectrometer (SPIMS). Hydrocarbon free radicals have been generated externally before admission into the Knudsen reactor according to two different chemical schemes, enabling the generation of thermalized C2H5• free radicals. A minor correction to k1 and k2 for the wall loss of C2H5• (kw) has been applied throughout the temperature range. The obtained results are consistent regarding both the disappearance of C2H5• and the formation of closed shell products (n-C4H10, C2H4, C2H6), indicating that the chemical mechanism is largely understood and complete. Thermochemical parameters for C2H5• free radical resulting from the present kinetic measurements are discussed and point toward a slightly lower value for the standard heat of formation ?fH298°(C2H5•) compared to some presently recommended values. On the basis of the present results and suitable data on the reverse reaction taken from the literature, we recommend ?fH298°(C2H5•) = 117.3 ± 3.1 kJ/mol resulting from an average of “third law” evaluations using S298°(C2H5•) = 242.9 ± 4.6 J/K mol. The present work yields a standard heat of formation in satisfactory agreement with the results obtained by W. Tsang (?fH298°(C2H5•) = 119 ± 2 kJ/mol) despite using two very different experimental techniques. PMID:24134055

  14. Kinetic and stoichiometric characterization for efficient enhanced biological phosphorus removal (EBPR) process at high temperatures.

    PubMed

    Liau, Kee Fui; Shoji, Tadashi; Ong, Ying Hui; Chua, Adeline Seak May; Yeoh, Hak Koon; Ho, Pei Yee

    2015-04-01

    A recently reported stable and efficient EBPR system at high temperatures around 30 °C has led to characterization of kinetic and stoichiometric parameters of the Activated Sludge Model no. 2d (ASM2d). Firstly, suitable model parameters were selected by identifiability analysis. Next, the model was calibrated and validated. ASM2d was found to represent the processes well at 28 and 32 °C except in polyhyroxyalkanoate (PHA) accumulation of the latter. The values of the kinetic parameters for PHA storage (q PHA), polyphosphate storage (q PP) and growth (? PAO) of polyphosphate-accumulating organisms (PAOs) at 28 and 32 °C were found to be much higher than those reported by previous studies. Besides, the value of the stoichiometric parameter for the requirement of polyphosphate for PHA storage (Y PO4) was found to decrease as temperature rose from 28 to 32 °C. Values of two other stoichiometric parameters, i.e. the growth yield of heterotrophic organisms (Y H) and PAOs (Y PAO), were high at both temperatures. These calibrated parameters imply that the extremely active PAOs of the study were able to store PHA, store polyphosphate and even utilize PHA for cell growth. Besides, the parameters do not follow the Arrhenius correlation due to the previously reported unique microbial clade at 28 and 32 °C, which actively performs EBPR at high temperatures. PMID:25381606

  15. 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.

  16. Precision measurement of the direct CP violation parameter. var epsilon. prime /. var epsilon. via the four K yields 2. pi. decay modes and a high sensitivity search for CP violating rare K sub L decays, Task J

    SciTech Connect

    Wah, Yau W.

    1992-04-01

    This report discusses the progress on the measurement of the direct CP violation parameter {var epsilon}{prime}/{var epsilon} and the rare KL decay. The progress has been as follows: (A) results from the complete E731 data set which was collected in the 1987/88 fixed target run; preparations for and the taking of the data for (B) E773 (CPT symmetry test) and (C) E799 (rare decay study); and finally (D) R D for a new detector to further study {var epsilon}{prime}/{var epsilon} and rate decays.

  17. Kinetics modeling in photosensitive glass Leonid B. Glebov *

    E-print Network

    Glebov, Leon

    Kinetics modeling in photosensitive glass Leonid B. Glebov * School of Optics/CREOL, University; received in revised form 22 September 2003; accepted 13 October 2003 Abstract Kinetics of photoinduced. Kinetic parameters of induced refraction in PTRG are determined. Ã? 2003 Published by Elsevier B.V. PACS

  18. Analog VLSI Neuromorphic Network with Programmable Membrane Channel Kinetics

    E-print Network

    Cauwenberghs, Gert

    Analog VLSI Neuromorphic Network with Programmable Membrane Channel Kinetics Theodore Yu1-dependence of the channel kinetics. All 12 chemical synapses interconnecting the neurons also have individually pro of the channel kinetics. All configurable parameters in the implemented model have a biophysical origin, thus

  19. Stoichiometry and kinetics of the anaerobic ammonium oxidation (Anammox) with trace hydrazine addition.

    PubMed

    Yao, Zongbao; Lu, Peili; Zhang, Daijun; Wan, Xinyu; Li, Yulian; Peng, Shuchan

    2015-12-01

    Purpose of this study is to investigate the stoichiometry and kinetics of anaerobic ammonium oxidation (Anammox) with trace hydrazine addition. The stoichiometry was established based on the electron balance of Anammox process with trace N2H4 addition. The stoichiometric coefficients were determined by the proton consumption and the changes in substrates and products. It was found that trace N2H4 addition can increase the yield of Anammox bacteria (AnAOB) and reduce NO3(-) yield, which enhances the Anammox. Subsequently, kinetic model of Anammox with trace N2H4 addition was developed, and the parameters of the anaerobic degradation model of N2H4 were obtained for the first time. The maximum specific substrate utilization rate, half-saturation constant and inhibition constant of N2H4 were 25.09mgN/g VSS/d, 10.42mgN/L and 1393.88mgN/L, respectively. These kinetic parameters might provide important information for the engineering applications of Anammox with trace N2H4 addition. PMID:26364230

  20. Atmospheric Nitrogen Fluorescence Yield

    NASA Technical Reports Server (NTRS)

    Adams, J. H., Jr.; Christl, M. J.; Fountain, W. F.; Gregory, J. C.; Martens, K. U.; Sokolsky, Pierre; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    Several existing and planned experiments estimate the energies of ultra-high energy cosmic rays from air showers using the atmospheric nitrogen fluorescence. The nitrogen fluorescence yield from air shower electrons depends on the atmospheric composition. We will discuss the uncertainties in the fluorescence yield form electrons in the real atmosphere and describe a concept for a small balloon payload to measure the atmospheric fluorescence yield as a function of attitude.

  1. Yield Improvement in Steel Casting (Yield II)

    SciTech Connect

    Richard A. Hardin; Christoph Beckermann; Tim Hays

    2002-02-18

    This report presents work conducted on the following main projects tasks undertaken in the Yield Improvement in Steel Casting research program: Improvement of Conventional Feeding and Risering Methods, Use of Unconventional Yield Improvement Techniques, and Case Studies in Yield Improvement. Casting trials were conducted and then simulated using the precise casting conditions as recorded by the participating SFSA foundries. These results present a statistically meaningful set of experimental data on soundness versus feeding length. Comparisons between these casting trials and casting trials performed more than forty years ago by Pellini and the SFSA are quite good and appear reasonable. Comparisons between the current SFSA feeding rules and feeding rules based on the minimum Niyama criterion reveal that the Niyama-based rules are generally less conservative. The niyama-based rules also agree better with both the trials presented here, and the casting trails performed by Pellini an d the SFSA years ago. Furthermore, the use of the Niyama criterion to predict centerline shrinkage for horizontally fed plate sections has a theoretical basis according to the casting literature reviewed here. These results strongly support the use of improved feeding rules for horizontal plate sections based on the Niyama criterion, which can be tailored to the casting conditions for a given alloy and to a desired level of soundness. The reliability and repeatability of ASTM shrinkage x-ray ratings was investigated in a statistical study performed on 128 x-rays, each of which were rated seven different times. A manual ''Feeding and Risering Guidelines for Steel Castings' is given in this final report. Results of casting trials performed to test unconventional techniques for improving casting yield are presented. These use a stacked arrangement of castings and riser pressurization to increase the casting yield. Riser pressurization was demonstrated to feed a casting up to four time s the distance of a non-pressurized riser, and can increase casting yield by decreasing the required number of risers. All case studies for this projects were completed and compiled into an SFSA Technical Report that is submitted part of this Final Report

  2. Kinetic Resolution Palladium-Catalyzed Oxidative Kinetic

    E-print Network

    Stoltz, Brian M.

    Kinetic Resolution Palladium-Catalyzed Oxidative Kinetic Resolution with Ambient Air toward developing enantioselective oxidation reactions in the presence of catalytic palladium, we of secondary alcohols.[1­3] Our system employed a simple protocol involving a commercially available palladium

  3. The effects of intensity on V?O2 kinetics during incremental free swimming.

    PubMed

    de Jesus, Kelly; Sousa, Ana; de Jesus, Karla; Ribeiro, João; Machado, Leandro; Rodríguez, Ferran; Keskinen, Kari; Vilas-Boas, João Paulo; Fernandes, Ricardo J

    2015-09-01

    Swimming and training are carried out with wide variability in distances and intensities. However, oxygen uptake kinetics for the intensities seen in swimming has not been reported. The purpose of this study was to assess and compare the oxygen uptake kinetics throughout low-moderate to severe intensities during incremental swimming exercise. We hypothesized that the oxygen uptake kinetic parameters would be affected by swimming intensity. Twenty male trained swimmers completed an incremental protocol of seven 200-m crawl swims to exhaustion (0.05 m·s(-1) increments and 30-s intervals). Oxygen uptake was continuously measured by a portable gas analyzer connected to a respiratory snorkel and valve system. Oxygen uptake kinetics was assessed using a double exponential regression model that yielded both fast and slow components of the response of oxygen uptake to exercise. From low-moderate to severe swimming intensities changes occurred for the first and second oxygen uptake amplitudes (P ? 0.04), time constants (P = 0.01), and time delays (P ? 0.02). At the heavy and severe intensities, a notable oxygen uptake slow component (>255 mL·min(-1)) occurred in all swimmers. Oxygen uptake kinetics whilst swimming at different intensities offers relevant information regarding cardiorespiratory and metabolic stress that might be useful for appropriate performance diagnosis and training prescription. PMID:26300011

  4. Kinetics study on biomass pyrolysis for fuel gas production.

    PubMed

    Chen, Guan-Yi; Fang, Meng-Xiang; Andries, J; Luo, Zhong-Yang; Spliethoff, H; Cen, Ke-Fa

    2003-01-01

    Kinetic knowledge is of great importance in achieving good control of the pyrolysis and gasification process and optimising system design. An overall kinetic pyrolysis scheme is therefore addressed here. The kinetic modelling incorporates the following basic steps: the degradation of the virgin biomass materials into primary products (tar, gas and semi-char), the decomposition of primary tar into secondary products and the continuous interaction between primary gas and char. The last step is disregarded completely by models in the literature. Analysis and comparison of predicted results from different kinetic schemes and experimental data on our fixed bed pyrolyser yielded very positive evidence to support our kinetic scheme. PMID:12861621

  5. The platinum microelectrode/Nafion interface - An electrochemical impedance spectroscopic analysis of oxygen reduction kinetics and Nafion characteristics

    NASA Technical Reports Server (NTRS)

    Parthasarathy, Arvind; Dave, Bhasker; Srinivasan, Supramaniam; Appleby, John A.; Martin, Charles R.

    1992-01-01

    The objectives of this study were to use electrochemical impedance spectroscopy (EIS) to study the oxygen-reduction reaction under lower humidification conditions than previously studied. The EIS technique permits the discrimination of electrode kinetics of oxygen reduction, mass transport of O2 in the membrane, and the electrical characteristics of the membrane. Electrode-kinetic parameters for the oxygen-reduction reaction, corrosion current densities for Pt, and double-layer capacitances were calculated. The production of water due to electrochemical reduction of oxygen greatly influenced the EIS response and the electrode kinetics at the Pt/Nafion interface. From the finite-length Warburg behavior, a measure of the diffusion coefficient of oxygen in Nafion and diffusion-layer thickness was obtained. An analysis of the EIS data in the high-frequency domain yielded membrane and interfacial characteristics such as ionic conductivity of the membrane, membrane grain-boundary capacitance and resistance, and uncompensated resistance.

  6. Soybean Yield and Genetics

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Seed yield is both the most important soybean breeding objective and the most challenging. The increase in the number of breeders and the increasing application of technology has done little to increase the rate of yield improvement over the past 20 years, but current rapid changes in technology and...

  7. Kinetics of thermal decomposition of surrogate solid wastes

    SciTech Connect

    Missoum, A.; Gupta, A.K.; Chen, J.; Keating, E.L.

    1996-12-31

    Decomposition behavior of different materials in a controlled environment at different heating rates are presented. The surrogate materials used are cellulose, polyethylene, polystyrene, polypropylene, nylon and bisphenol-A-polycarbonate. A series of tests were performed using a Perkin-Elmer 7 series thermal analysis system. Two heating rates of 10 C/minute and 100 C/minute were used. The temperature dependence and mass load characteristics of materials was obtained and used to obtain Arrhenius kinetic parameters and therefore the decomposition rates under defined conditions of pressure, temperature, environment, heating rate and waste composition. This information is helpful in characterizing and understanding the thermal decomposition properties of these materials during their thermal destruction. The decomposition rates are affected by the heating rate. The higher the heating rate the faster the decomposition. The results show that an increase in heating rate shifted thermal decomposition to higher temperatures and that the temperature at which maximum devolatilization began and ended was affected by heating rate. The kinetic parameters were calculated and the char yield from the different samples was less than 2% by weight except for polycarbonate which was around 5%. The remaining char in nylon and polycarbonate is attributed to the inert impurities in these materials. The thermal decomposition of the materials studied here could be related to their composition. It was found that polyethylene, polypropylene and polycarbonate have comparable decomposition rates over the same temperature range. Cellulose has the lowest decomposition rate and polystyrene has the highest.

  8. Saffman-Taylor fingers with kinetic undercooling.

    PubMed

    Gardiner, Bennett P J; McCue, Scott W; Dallaston, Michael C; Moroney, Timothy J

    2015-02-01

    The mathematical model of a steadily propagating Saffman-Taylor finger in a Hele-Shaw channel has applications to two-dimensional interacting streamer discharges which are aligned in a periodic array. In the streamer context, the relevant regularization on the interface is not provided by surface tension but instead has been postulated to involve a mechanism equivalent to kinetic undercooling, which acts to penalize high velocities and prevent blow-up of the unregularized solution. Previous asymptotic results for the Hele-Shaw finger problem with kinetic undercooling suggest that for a given value of the kinetic undercooling parameter, there is a discrete set of possible finger shapes, each analytic at the nose and occupying a different fraction of the channel width. In the limit in which the kinetic undercooling parameter vanishes, the fraction for each family approaches 1/2, suggesting that this "selection" of 1/2 by kinetic undercooling is qualitatively similar to the well-known analog with surface tension. We treat the numerical problem of computing these Saffman-Taylor fingers with kinetic undercooling, which turns out to be more subtle than the analog with surface tension, since kinetic undercooling permits finger shapes which are corner-free but not analytic. We provide numerical evidence for the selection mechanism by setting up a problem with both kinetic undercooling and surface tension and numerically taking the limit that the surface tension vanishes. PMID:25768606

  9. Kinetics of stress fibers

    NASA Astrophysics Data System (ADS)

    Stachowiak, Matthew R.; O'Shaughnessy, Ben

    2008-02-01

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

  10. Waste lubricating oil removal in a batch reactor by mixed bacterial consortium: a kinetic study.

    PubMed

    Bhattacharya, Munna; Guchhait, Sugata; Biswas, Dipa; Datta, Sriparna

    2015-11-01

    The growth kinetics and biodegradation of two waste lubricating oil samples including waste engine oil (WEO) and waste transformer oil (WTO) were studied using pure isolates and mixed culture of Ochrobactrum sp. C1 and Bacillus sp. K1. The mixed culture significantly influenced degradation efficiency of the pure isolates through bioaugmentation process. In particular, the mixed culture was capable of growing on various n-alkanes and polycyclic aromatic hydrocarbons and was able to tolerate unusually high concentrations of waste lubricants (WEO-86.0 g/L and WTO-81.5 g/L). The initial concentration of waste lubricating oils has been varied in the range of 1-10 % (v/v). Under this experimental range, the bacterial growth has been observed to follow Haldane-type kinetics characterizing the presence of substrate inhibition. Haldane model was used to fit the exponential growth data and the following kinetic parameters were obtained: ? max = 0.078 h(-1), K S = 23.101 g/L, K i = 43.844 g/L for WEO; and ? max = 0.044 h(-1), K S = 10.662 g/L, K i = 58.310 g/L for WTO. The values of intrinsic kinetic parameters, like specific growth rate ? max, half saturation constant, K S, inhibition constant, K i and the maximum substrate concentration, S max and growth yield coefficient Y x/s , have been determined using each model hydrocarbon and their mixture as limiting substrate. Relative changes in the values of the kinetic parameters have been correlated to the number of carbon atoms present in n-alkanes. The metabolites from degradation of model hydrocarbon compounds have been identified by GC-MS to elucidate the possible pathway of waste lubricating oil degradation process. PMID:26271337

  11. Modelling deuterium labelling of lymphocytes with temporal and/or kinetic heterogeneity.

    PubMed

    De Boer, Rob J; Perelson, Alan S; Ribeiro, Ruy M

    2012-09-01

    To study the kinetics of lymphocytes, models have divided the cell population into subpopulations with different turnover rates. These have been called 'kinetic heterogeneity models' so as to distinguish them from 'temporal heterogeneity models', in which a cell population may have different turnover rates at different times, e.g. when resting versus when activated. We model labelling curves for temporally heterogeneous populations, and predict that they exhibit equal biphasic up- and downslopes. We show when cells divide only once upon activation, these slopes are dominated by the slowest exponent, yielding underestimates of the average turnover rate. When cells undergo more than one division, the labelling curves allow fitting of the two exponential slopes in the temporal heterogeneity model. The same data can also be described with a two-compartment kinetic heterogeneity model. In both instances, the average turnover rate is correctly estimated. Because both models assume a different cell biology but describe the data equally well, the parameters of either model have no simple biological interpretation, as each parameter could reflect a combination of parameters of another biological process. Thus, even if there are sufficient data to reliably estimate all exponentials, one can only accurately estimate an average turnover rate. We illustrate these issues by re-fitting labelling data from healthy and HIV-infected individuals. PMID:22513720

  12. Argentina wheat yield model

    NASA Technical Reports Server (NTRS)

    Callis, S. L.; Sakamoto, C.

    1984-01-01

    Five models based on multiple regression were developed to estimate wheat yields for the five wheat growing provinces of Argentina. Meteorological data sets were obtained for each province by averaging data for stations within each province. Predictor variables for the models were derived from monthly total precipitation, average monthly mean temperature, and average monthly maximum temperature. Buenos Aires was the only province for which a trend variable was included because of increasing trend in yield due to technology from 1950 to 1963.

  13. Argentina corn yield model

    NASA Technical Reports Server (NTRS)

    Callis, S. L.; Sakamoto, C.

    1984-01-01

    A model based on multiple regression was developed to estimate corn yields for the country of Argentina. A meteorological data set was obtained for the country by averaging data for stations within the corn-growing area. Predictor variables for the model were derived from monthly total precipitation, average monthly mean temperature, and average monthly maximum temperature. A trend variable was included for the years 1965 to 1980 since an increasing trend in yields due to technology was observed between these years.

  14. Argentina soybean yield model

    NASA Technical Reports Server (NTRS)

    Callis, S. L.; Sakamoto, C.

    1984-01-01

    A model based on multiple regression was developed to estimate soybean yields for the country of Argentina. A meteorological data set was obtained for the country by averaging data for stations within the soybean growing area. Predictor variables for the model were derived from monthly total precipitation and monthly average temperature. A trend variable was included for the years 1969 to 1978 since an increasing trend in yields due to technology was observed between these years.

  15. Kinetics of phosphorothioate oligonucleotide metabolism in biological fluids.

    PubMed Central

    Gilar, M; Belenky, A; Smisek, D L; Bourque, A; Cohen, A S

    1997-01-01

    The in vitro stability and metabolism of GEM[91, a 25mer phosphorothioate antisense oligonucleotide complementary to the gag mRNA region of HIV-1, was investigated using capillary electrophoresis (CE). The in vitro degradation of the parent compound at 37 degrees C was followed over the course of 120 h in human plasma. A CE method using laser-induced fluorescence detection was able to detect 5'-end intact metabolites including the parent compound extracted from biological fluids. Because the primary metabolic pathway is believed to be via 3'-exonuclease activity, the results of this study were compared with the stability of the compound in a solution containing 3'-exonuclease. The numerical solution of sequential first-order reactions was used to obtain kinetic parameters. Exonuclease digestion of the parent compound, as measured using an automated CE-UV instrument, yielded striking similarities between the two in vitro systems as well as between in vitro and in vivo systems. PMID:9278481

  16. Reaction {pi}N {yields} {pi}{pi}N near threshold

    SciTech Connect

    Frlez, E.

    1993-11-01

    The LAMPF E1179 experiment used the {pi}{sup 0} spectrometer and an array of charged particle range counters to detect and record {pi}{sup +}{pi}{sup 0}, {pi}{sup 0}p, and {pi}{sup +}{pi}{sup 0}p coincidences following the reaction {pi}{sup +}p {yields} {pi}{sup 0}{pi}{sup +}p near threshold. The total cross sections for single pion production were measured at the incident pion kinetic energies 190, 200, 220, 240, and 260 MeV. Absolute normalizations were fixed by measuring {pi}{sup +}p elastic scattering at 260 MeV. A detailed analysis of the {pi}{sup 0} detection efficiency was performed using cosmic ray calibrations and pion single charge exchange measurements with a 30 MeV {pi}{sup {minus}} beam. All published data on {pi}N {yields} {pi}{pi}N, including our results, are simultaneously fitted to yield a common chiral symmetry breaking parameter {xi} ={minus}0.25{plus_minus}0.10. The threshold matrix element {vert_bar}{alpha}{sub 0}({pi}{sup 0}{pi}{sup +}p){vert_bar} determined by linear extrapolation yields the value of the s-wave isospin-2 {pi}{pi} scattering length {alpha}{sub 0}{sup 2}({pi}{pi}) = {minus}0.041{plus_minus}0.003 m{sub {pi}}{sup {minus}1}, within the framework of soft-pion theory.

  17. Science Yield Modeling with EXOSIMS

    NASA Astrophysics Data System (ADS)

    Garrett, Daniel; Savransky, Dmitry

    2016-01-01

    Accurately modeling science yield of an exoplanet direct imaging mission to build confidence in the achievement of science goals can be almost as complicated as designing the mission itself. It is challenging to compare science simulation results and systematically test the effects of changing instrument or mission designs. EXOSIMS (Exoplanet Open-Source Imaging Mission Simulator) addresses this by generating ensembles of mission simulations for exoplanet direct imaging missions to estimate distributions of science yield. EXOSIMS consists of stand-alone modules written in Python which may be individually modified without requiring modifications to the code elsewhere. This structure allows for user driven systemic exploration of the effects of changing designs on the estimated science yield.The modules of EXOSIMS are classified as either input or simulation modules. Input modules contain specific mission design parameters and functions. These include Planet Population, Star Catalog, Optical System, Zodiacal Light, Planet Physical Model, Observatory, Time Keeping, and Post-Processing. Simulation modules perform tasks requiring input from one or more input modules as well as calling functions from other simulation modules. These include Completeness, Target List, Simulated Universe, Survey Simulation, and Survey Ensemble. The required parameters and functionality of each of these modules is defined in the documentation for EXOSIMS.EXOSIMS is available to the public at https://github.com/dsavransky/EXOSIMS. Included in the documentation is an interface control document which defines the required inputs and outputs to each input and simulation module. Future development of EXOSIMS is intended to be community-driven. Mission planners and instrument designers may quickly write their own modules, following the guidelines in the interface control document, and drop them directly into the code without making additional modifications elsewhere. It is expected that EXOSIMS will be highly useful for designing and planning future exoplanet direct imaging missions.

  18. A liquefaction kinetic research needs assessment

    SciTech Connect

    Ferrance, J.; Warzinski, R.P.

    1996-12-31

    In February 1989, the Department of Energy released its assessment of the research needs for coal liquefaction. Under direct liquefaction, 4 of the 12 recommendations focused on developing models and determining kinetics. Reasons accompanying these recommendations stressed the need to understand the retrograde reactions, the reactions taking place as the coal is heated to the reaction temperature, and the effects Of coal types and solvent on liquefaction reactions. By understanding the liquefaction process better, suggestions for improving the process may be made. A good kinetic model would provide a basis for testing suggestions which would attempt to control reactions or effects in the development of improved liquefaction technologies. Brandes et al. suggests that a kinetic model could also possibly have a large impact on the economics of coal liquefaction! Cost factors which could be studied using a kinetic model include: coal preparations, reactor throughput, hydrogen usage, catalyst usage, yields and selectivity, and process control.

  19. Oxygen reduction at the platinum/Nafion{reg_sign} interface: Electrode kinetics and mass transport

    SciTech Connect

    Parthasarathy, A.

    1992-12-31

    Research in solid polymer electrolyte fuel cells is gaining momentum because of the prospects of attaining high energy efficiencies and power densities, essential for transportation and space applications. The most advanced solid polymer electrolytes for these fuel cells are the perfluorosulfonate ionomers (PFSIs) such as duPont`s Naflon and the Dow PFSIs. The high oxygen solubility, chemical stability, proton conductivity and permselectivity exhibited by Naflon and the Dow PFSI`s make them ideal candidates as electrolytes for fuel cells. Furthermore, the minimal anion adsorption on electrodes from fluorinated acids enhances oxygen reduction kinetics. The primary objectives of this work were to determine the concentration and diffusion coefficient of oxygen in Naflon, and the electrode kinetic parameters for the reduction of oxygen at the Pt/Nafion interface under totally solid-state conditions. Cyclic voltammetric and potentiostatic transient measurements were made at the Pt/Nafion interface. Slow sweep voltammograms yielded Tafel parameters for oxygen reduction. From the two-section Tafel, plot, the calculated exchange current densities were found to be higher than those obtained at any other Pt/acid interface. From an analysis of the transients, the values of oxygen solubility and diffusion coefficient in Naflon were determined. Electrochemical impedance spectroscopic (EIS) investigations were then used to study oxygen reduction under lower humidfication conditions. EIS clearly permits the discrimination of electrode kinetics, mass transport of O{sub 2} and the electrical characteristics of the membrane. A temperature-dependence study in the range of 30{degrees}C to 80{degrees}C yielded the activation energy for oxygen reduction at the Pt/Naflon interface. The diffusion coefficient of oxygen in Nafion increases with temperature while its solubility decreases. the pressure-dependence of oxygen reduction kinetics shows that the reaction order of oxygen is unity.

  20. Yield gaps and yield relationships in US soybean production systems

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The magnitude of yield gaps (YG) (potential yield – farmer yield) provides some indication of the prospects for increasing crop yield to meet the food demands of future populations. Quantile regression analysis was applied to county soybean [Glycine max (L.) Merrill] yields (1971 – 2011) from Kentuc...

  1. Biohydrogen Production and Kinetic Modeling Using Sediment Microorganisms of Pichavaram Mangroves, India

    PubMed Central

    Mullai, P.; Sridevi, K.

    2013-01-01

    Mangrove sediments host rich assemblages of microorganisms, predominantly mixed bacterial cultures, which can be efficiently used for biohydrogen production through anaerobic dark fermentation. The influence of process parameters such as effect of initial glucose concentration, initial medium pH, and trace metal (Fe2+) concentration was investigated in this study. A maximum hydrogen yield of 2.34, 2.3, and 2.6?mol H2 mol?1 glucose, respectively, was obtained under the following set of optimal conditions: initial substrate concentration—10,000?mg?L?1, initial pH—6.0, and ferrous sulphate concentration—100?mg?L?1, respectively. The addition of trace metal to the medium (100?mg?L?1 FeSO4·7H2O) enhanced the biohydrogen yield from 2.3?mol H2?mol?1 glucose to 2.6?mol H2 mol?1 glucose. Furthermore, the experimental data was subjected to kinetic analysis and the kinetic constants were estimated with the help of well-known kinetic models available in the literature, namely, Monod model, logistic model and Luedeking-Piret model. The model fitting was found to be in good agreement with the experimental observations, for all the models, with regression coefficient values >0.92. PMID:24319679

  2. Lipase-catalyzed synthesis of palmitanilide: Kinetic model and antimicrobial activity study.

    PubMed

    Liu, Kuan-Miao; Liu, Kuan-Ju

    2016-01-01

    Enzymatic syntheses of fatty acid anilides are important owing to their wide range of industrial applications in detergents, shampoo, cosmetics, and surfactant formulations. The amidation reaction of Mucor miehei lipase Lipozyme IM20 was investigated for direct amidation of triacylglycerol in organic solvents. The process parameters (reaction temperature, substrate molar ratio, enzyme amount) were optimized to achieve the highest yield of anilide. The maximum yield of palmitanilide (88.9%) was achieved after 24h of reaction at 40°C at an enzyme concentration of 1.4% (70mg). Kinetics of lipase-catalyzed amidation of aniline with tripalmitin has been investigated. The reaction rate could be described in terms of the Michaelis-Menten equation with a Ping-Pong Bi-Bi mechanism and competitive inhibition by both the substrates. The kinetic constants were estimated by using non-linear regression method using enzyme kinetic modules. The enzyme operational stability study showed that Lipozyme IM20 retained 38.1% of the initial activity for the synthesis of palmitanilide (even after repeated use for 48h). Palmitanilide, a fatty acid amide, exhibited potent antimicrobial activity toward Bacillus cereus. PMID:26672452

  3. Ozone mass transfer and kinetics experiments

    SciTech Connect

    Bollyky, L.J.; Beary, M.M.

    1981-12-01

    Experiments were conducted at the Hanford Site to determine the most efficient pH and temperature levels for the destruction of complexants in Hanford high-level defense waste. These complexants enhance migration of radionuclides in the soil and inhibit the growth of crystals in the evaporator-crystallizer. Ozone mass transfer and kinetics tests have been outlined for the determination of critical mass transfer and kinetics parameters of the ozone-complexant reaction.

  4. Effect of annealing on the kinetic properties and band parameters of Hg{sub 1?x?y}Cd{sub x}Eu{sub y}Se semiconductor crystals

    SciTech Connect

    Kovalyuk, T. T. Maistruk, E. V.; Maryanchuk, P. D.

    2014-12-15

    The results of studies of the kinetic properties of Hg{sub 1?x?y}Cd{sub x}Eu{sub y}Se semiconductor crystals in the ranges of temperatures T = 77–300 K and magnetic fields H = 0.5–5 kOe before and after heat treatment of the samples in Se vapors are reported. It is established that annealing of the samples in Se vapors induces a decrease in the electron concentration. From the concentration dependence of the electron effective mass at the Fermi level, the band gap, the matrix element of interband interaction, and the electron effective mass at the bottom of the conduction band are determined.

  5. Optimization and kinetic analysis on the sulfuric acid - Catalyzed depolymerization of wheat straw.

    PubMed

    Wu, Qian-Qian; Ma, Yu-Long; Chang, Xuan; Sun, Yong-Gang

    2015-09-20

    The objectives of this work were to optimize the experimental condition and to study the kinetic behavior of wheat straw depolymerization with sulfuric acid (2 wt%, 3 wt%, and 4 wt%) at different temperatures (120°C, 130°C, and 140°C). The two-fraction kinetic model was obtained for the prediction of the generations of product and by-product during depolymerization. The kinetic parameters of the two-fraction model were analyzed using an Arrhenius-type equation. Applying the kinetic two-fraction model, the optimum condition for wheat straw depolymerization was 3 wt% H2SO4 at 130°C for 75 min, which yielded a high concentration of fermentable sugars (xylose 8.934 g/L, glucose 1.363 g/L, and arabinose 1.203 g/L) and low concentrations of microbial inhibitors (furfural 0.526 g/L and acetic acid 1.192 g/L). These results suggest that the model obtained in this study can satisfactorily describe the formation of degradation products and the depolymerization mechanism of wheat straw. PMID:26050891

  6. Kinetic modeling of the adsorption and desorption of CO2 on ?-Fe2O3.

    PubMed

    Breyer, Christine; Reichert, Dirk; Seidel, Juergen; Hüttl, Regina; Mertens, Florian; Kureti, Sven

    2015-10-28

    The present paper addresses the interaction of CO2 with polycrystalline ?-Fe2O3 revealing considerable catalytic activity in CO oxidation to yield CO2. The mechanism of adsorption and desorption of CO2 was investigated by diffuse reflectance infrared fourier transform spectroscopy (DRIFTS), while the kinetics was examined by temperature-programmed desorption (CO2-TPD). For numeric modeling as well as simulation of the surface coverage, an elementary kinetic mean field model was constructed using Arrhenius-based rate expressions. The kinetic parameters of desorption were taken from fitting calculations (A2 = 3.01 × 10(5) mol (m(2) s)(-1), E2(0) = 112.8 kJ mol(-1), ?2 = 70.2 kJ mol(-1)), whereas the adsorption was considered to be non-activated and the pre-exponential factor was estimated from kinetic gas theory (A1 = 0.0192 m s(-1), E1 = 0 kJ mol(-1)). For model validation, predicted and experimental CO2-TPD profiles were compared and thermodynamic consistency was evaluated by using differential scanning calorimetry (?adsH(250 °C) = -129 kJ mol(-1)) as well as literature data. PMID:26411579

  7. Predicting yields for autotrophic and cometabolic processes

    SciTech Connect

    Andrews, G.

    1995-12-31

    The goal of bioprocess engineering is to state how the optimum design and control strategy for a bioprocess follow from the metabolism of the particular microorganism. A necessary step toward this goal is to show how the parameters used in quantitative descriptions of a process (e.g., yield and maintenance coefficients) are related to those describing the metabolism [e.g., Y{sub ATP}, (P/O)]. The {open_quotes}yield equation{close_quotes} approach to this problem involves dividing metabolism into the separate pathways for catabolism, anabolism, respiration, and product formation and balancing the production and consumption of reducing equivalents and ATP. The general approach, demonstrated previously for heterotrophic cell growth and products of fermentation, is illustrated by three new examples: the cell yield for chemoautotrophic iron-oxidizing bacteria, the cometabolic degradation of chloroform by methanotrophic bacteria, and the theoretical yield of succinic acid from glucose.

  8. Incorporating kinetic aspects of

    E-print Network

    Tutorial: Incorporating kinetic aspects of RF current drive in MHD simulation J. Pratt, E kinetic aspects of RF current drive in MHD simulation with a focus on ECCD stabilization of tearing modes J. Pratt, E. Westerhof Lorentz Workshop: Modeling Kinetic Aspects of Global MHD Modes 4 Dec 2013

  9. Influence of relative humidity on heterogeneous kinetics of NO2 on kaolin and hematite.

    PubMed

    Liu, Yongchun; Han, Chong; Ma, Jinzhu; Bao, Xiaolei; He, Hong

    2015-07-15

    In order to obtain reliable kinetic parameters, it is required to measure the reaction kinetics of important heterogeneous reactions at ambient relative humidity (RH). In this study, the uptake coefficients and HONO yields for the heterogeneous reaction of NO2 on kaolin and hematite were measured at RH from 7% to 74% and at ambient pressure in the dark using a coated-wall flow tube reactor. The initial true uptake coefficient (?t,ini) of NO2 at RH 7% was measured to be (1.44 ± 0.10) × 10(-7) and (1.58 ± 0.13) × 10(-6) on kaolin and hematite, respectively, while it decreased notably on both minerals, accompanied by an increase of HONO yields, as RH increased. The average ?t,ini at 32-74% RH was (4.42 ± 1.17) × 10(-8) and (2.83 ± 0.84) × 10(-7) on kaolin and hematite, respectively. The corresponding mean HONO yield was (36.0 ± 16.1)% and (75.9 ± 3.32)%, respectively. PMID:26145684

  10. Regression Models For Saffron Yields in Iran

    NASA Astrophysics Data System (ADS)

    S. H, Sanaeinejad; S. N, Hosseini

    Saffron is an important crop in social and economical aspects in Khorassan Province (Northeast of Iran). In this research wetried to evaluate trends of saffron yield in recent years and to study the relationship between saffron yield and the climate change. A regression analysis was used to predict saffron yield based on 20 years of yield data in Birjand, Ghaen and Ferdows cities.Climatologically data for the same periods was provided by database of Khorassan Climatology Center. Climatologically data includedtemperature, rainfall, relative humidity and sunshine hours for ModelI, and temperature and rainfall for Model II. The results showed the coefficients of determination for Birjand, Ferdows and Ghaen for Model I were 0.69, 0.50 and 0.81 respectively. Also coefficients of determination for the same cities for model II were 0.53, 0.50 and 0.72 respectively. Multiple regression analysisindicated that among weather variables, temperature was the key parameter for variation ofsaffron yield. It was concluded that increasing temperature at spring was the main cause of declined saffron yield during recent years across the province. Finally, yield trend was predicted for the last 5 years using time series analysis.

  11. The kinetic chemical equilibrium regime

    NASA Astrophysics Data System (ADS)

    Ern, Alexandre; Giovangigli, Vincent

    We investigate reactive gas mixtures in the kinetic chemical equilibrium regime. Our starting point is a generalized Boltzmann equation with a chemical source term valid for arbitrary reaction mechanisms and yielding a positive entropy production. We first study the Enskog expansion in the kinetic chemical equilibrium regime. We derive a new set of macroscopic equations in the zeroth- and first-order regimes, expressing conservation of element densities, momentum and energy. The transport fluxes arising in the Navier-Stokes equilibrium regime are the element diffusion velocities, the heat flux vector and the pressure tensor and are written in terms of transport coefficients. Upon introducing species diffusion velocities, the kinetic equilibrium regime appears to be formally equivalent to the one obtained for gas mixtures in chemical nonequilibrium and then letting the chemical reactions approach equilibrium. The actual values of the transport coefficients are, however, different. Finally, we derive the entropy conservation equation in the Navier-Stokes equilibrium regime and show that the source term is positive and that it is compatible with Onsager’s reciprocal relations.

  12. Yielding Elastic Tethers Stabilize Robust Cell Adhesion

    PubMed Central

    Whitfield, Matt J.; Luo, Jonathon P.; Thomas, Wendy E.

    2014-01-01

    Many bacteria and eukaryotic cells express adhesive proteins at the end of tethers that elongate reversibly at constant or near constant force, which we refer to as yielding elasticity. Here we address the function of yielding elastic adhesive tethers with Escherichia coli bacteria as a model for cell adhesion, using a combination of experiments and simulations. The adhesive bond kinetics and tether elasticity was modeled in the simulations with realistic biophysical models that were fit to new and previously published single molecule force spectroscopy data. The simulations were validated by comparison to experiments measuring the adhesive behavior of E. coli in flowing fluid. Analysis of the simulations demonstrated that yielding elasticity is required for the bacteria to remain bound in high and variable flow conditions, because it allows the force to be distributed evenly between multiple bonds. In contrast, strain-hardening and linear elastic tethers concentrate force on the most vulnerable bonds, which leads to failure of the entire adhesive contact. Load distribution is especially important to noncovalent receptor-ligand bonds, because they become exponentially shorter lived at higher force above a critical force, even if they form catch bonds. The advantage of yielding is likely to extend to any blood cells or pathogens adhering in flow, or to any situation where bonds are stretched unequally due to surface roughness, unequal native bond lengths, or conditions that act to unzip the bonds. PMID:25473833

  13. Atmospheric Fluorescence Yield

    NASA Technical Reports Server (NTRS)

    Adams, James H., Jr.; Christl, M. J.; Fountain, W. F.; Gregory, J. C.; Martens, K.; Sokolsky, P.; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    Several existing and planned experiments estimate the energies of ultra-high energy cosmic rays from air showers using the atmospheric fluorescence from these showers. Accurate knowledge of the conversion from atmospheric fluorescence to energy loss by ionizing particles in the atmosphere is key to this technique. In this paper we discuss a small balloon-borne instrument to make the first in situ measurements versus altitude of the atmospheric fluorescence yield. The instrument can also be used in the lab to investigate the dependence of the fluorescence yield in air on temperature, pressure and the concentrations of other gases that present in the atmosphere. The results can be used to explore environmental effects on and improve the accuracy of cosmic ray energy measurements for existing ground-based experiments and future space-based experiments.

  14. Compartment modeling of dynamic brain PET—The impact of scatter corrections on parameter errors

    SciTech Connect

    Häggström, Ida Karlsson, Mikael; Larsson, Anne; Schmidtlein, C. Ross

    2014-11-01

    Purpose: The aim of this study was to investigate the effect of scatter and its correction on kinetic parameters in dynamic brain positron emission tomography (PET) tumor imaging. The 2-tissue compartment model was used, and two different reconstruction methods and two scatter correction (SC) schemes were investigated. Methods: The GATE Monte Carlo (MC) software was used to perform 2 × 15 full PET scan simulations of a voxelized head phantom with inserted tumor regions. The two sets of kinetic parameters of all tissues were chosen to represent the 2-tissue compartment model for the tracer 3?-deoxy-3?-({sup 18}F)fluorothymidine (FLT), and were denoted FLT{sub 1} and FLT{sub 2}. PET data were reconstructed with both 3D filtered back-projection with reprojection (3DRP) and 3D ordered-subset expectation maximization (OSEM). Images including true coincidences with attenuation correction (AC) and true+scattered coincidences with AC and with and without one of two applied SC schemes were reconstructed. Kinetic parameters were estimated by weighted nonlinear least squares fitting of image derived time–activity curves. Calculated parameters were compared to the true input to the MC simulations. Results: The relative parameter biases for scatter-eliminated data were 15%, 16%, 4%, 30%, 9%, and 7% (FLT{sub 1}) and 13%, 6%, 1%, 46%, 12%, and 8% (FLT{sub 2}) for K{sub 1}, k{sub 2}, k{sub 3}, k{sub 4}, V{sub a}, and K{sub i}, respectively. As expected, SC was essential for most parameters since omitting it increased biases by 10 percentage points on average. SC was not found necessary for the estimation of K{sub i} and k{sub 3}, however. There was no significant difference in parameter biases between the two investigated SC schemes or from parameter biases from scatter-eliminated PET data. Furthermore, neither 3DRP nor OSEM yielded the smallest parameter biases consistently although there was a slight favor for 3DRP which produced less biased k{sub 3} and K{sub i} estimates while OSEM resulted in a less biased V{sub a}. The uncertainty in OSEM parameters was about 26% (FLT{sub 1}) and 12% (FLT{sub 2}) larger than for 3DRP although identical postfilters were applied. Conclusions: SC was important for good parameter estimations. Both investigated SC schemes performed equally well on average and properly corrected for the scattered radiation, without introducing further bias. Furthermore, 3DRP was slightly favorable over OSEM in terms of kinetic parameter biases and SDs.

  15. Combustion kinetics and reaction pathways

    SciTech Connect

    Klemm, R.B.; Sutherland, J.W.

    1993-12-01

    This project is focused on the fundamental chemistry of combustion. The overall objectives are to determine rate constants for elementary reactions and to elucidate the pathways of multichannel reactions. A multitechnique approach that features three independent experiments provides unique capabilities in performing reliable kinetic measurements over an exceptionally wide range in temperature, 300 to 2500 K. Recent kinetic work has focused on experimental studies and theoretical calculations of the methane dissociation system (CH{sub 4} + Ar {yields} CH{sub 3} + H + Ar and H + CH{sub 4} {yields} CH{sub 3} + H{sub 2}). Additionally, a discharge flow-photoionization mass spectrometer (DF-PIMS) experiment is used to determine branching fractions for multichannel reactions and to measure ionization thresholds of free radicals. Thus, these photoionization experiments generate data that are relevant to both reaction pathways studies (reaction dynamics) and fundamental thermochemical research. Two distinct advantages of performing PIMS with high intensity, tunable vacuum ultraviolet light at the National Synchrotron Light Source are high detection sensitivity and exceptional selectivity in monitoring radical species.

  16. Continuous growth kinetics of Candida utilis in pineapple cannery effluent

    SciTech Connect

    Prior, B.A.

    1984-01-01

    Candida utilis was grown on a pineapple cannery effluent as the sole carbon and energy source in a chemostat at dilution rates between 0.10 and 0.62 h/sup -1/ to determine the growth kinetics. The principal sugars in the effluent were sucrose, glucose, and fructose. The cell yield coefficient on carbohydrate varied with dilution rate and a maximum value of 0.63 was observed at a dilution rate of 0.33 h/sup -1/. The steady-state concentrations of carbohydrate, reducing sugar, and chemical oxygen demand (COD) appeared to follow Monod saturation kinetics with increasing dilution rate, although none of the measured parameters represented a pure substrate. The maximum specific growth rate and reducing sugar saturation constant were 0.64 h/sup -1/ and 0.060 g/L, respectively. A maximum cell mass productivity of 2.3 g/L h was observed at a dilution rate of 0.51 h/sup -1/. At this dilution rate, only 68% of the COD was removed. A 95% COD removal was attained at a dilution rate of 0.10 h/sup -1/. Optimal yeast productivity and COD reduction occurred at a dilution rate of 0.33 h/sup -1/.

  17. Kinetic studies and model development for the formation of galacto-oligosaccharides from lactose using synthesized thermo-responsive bioconjugate.

    PubMed

    Palai, Tapas; Kumar, Ashok; Bhattacharya, Prashant K

    2015-03-01

    In an earlier study by us [47], thermo-responsive bioconjugate (poly-N-isopropylacrylamide-?-galactosidase) was synthesized and characterized. This study utilizes the prowess of such smart bioconjugate for the enzymatic synthesis of galacto-oligosaccharides (GOS) from lactose at various initial lactose concentrations (ILC), enzyme concentrations, and temperatures, while maintaining a constant pH of 6. A maximum GOS yield of 35% (on dry basis) was observed at 100g/L ILC and 0.275mg/mL (0.055U/mL) conjugated protein. The GOS yield remained approximately the same for 50 and 100g/L ILC, beyond which, it decreased. As the enzyme concentration increased, the equilibrium formation of GOS increased and eventually attained a plateau when the concentration of conjugated protein exceeded 0.275mg/mL (0.055U/mL). GOS yield increased on raising the temperature from 30 to 40°C, and declined thereafter. The apparent kinetic parameters were estimated from a five-step, nine-parameter kinetic model, which was then simulated using the COPASI package. The simulated results demonstrated an excellent match with the experimental data. PMID:25659631

  18. On fast reactor kinetics studies

    SciTech Connect

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

    2012-07-01

    The results and the program of fast reactor core time and space kinetics experiments performed and planned to be performed at the IPPE critical facility is presented. The TIMER code was taken as computation support of the experimental work, which allows transient equations to be solved in 3-D geometry with multi-group diffusion approximation. The number of delayed neutron groups varies from 6 to 8. The code implements the solution of both transient neutron transfer problems: a direct one, where neutron flux density and its derivatives, such as reactor power, etc, are determined at each time step, and an inverse one for the point kinetics equation form, where such a parameter as reactivity is determined with a well-known reactor power time variation function. (authors)

  19. Mechanisms and kinetics of coal hydrogenation

    SciTech Connect

    Baldwin, R M; Furlong, M W

    1981-05-01

    Colorado School of Mines is engaged in an experimental program to develop comprehensive models for the effects of coal composition upon the kinetics and mechanisms of coal hydrogenation, for the effects of mineral matter additives (disposable catalysts) upon kinetics and mechanisms of coal hydrogenation, and for the kinetics and mechanisms of the hydrogenation of coal derived products such as preasphaltenes, and asphaltenes. Experimental work was completed on a suite of bituminous coals, thus completing the initial phase of the coal reactivity study. Eleven of the 14 coals of the suite were successfully run in duplicate. Conversion to THF solubles was correlated well by pseudo-second order kinetics. The resulting kinetic rate constants correlated with H/C ratio, mean-max vitrinite reflectance, and a specially-defined fraction of reactive macerals. The data did not correlate well with O/C ratios of the parent coals. Computer-derived statistical fits of various kinetic models were limited in their effectiveness at fitting the experimental data. Experimental work on the first phase of the disposal catalyst studies was completed. Statistical significance testing of the experimental data showed: fractional conversion and yield of light hydrocarbon products increased with time; and mineral properties of the additives were more significant in increasing overall conversion than the additive surface areas. The relative effects of the additives are given.

  20. b{yields}s penguin amplitude in charmless B{yields}PP decays

    SciTech Connect

    Gronau, Michael; Rosner, Jonathan L.

    2005-04-01

    The b{yields}s penguin amplitude affects a number of B meson decays to two pseudoscalar (P) mesons in which potential anomalies are being watched carefully, though none has yet reached a statistically compelling level. These include (a) a sum of rates for B{sup 0}{yields}K{sup 0}{pi}{sup 0} and B{sup +}{yields}K{sup +}{pi}{sup 0} enhanced relative to half the sum for B{sup 0}{yields}K{sup +}{pi}{sup -} and B{sup +}{yields}K{sup 0}{pi}{sup +} (b) a time-dependent CP asymmetry parameter S for B{sup 0}{yields}K{sup 0}{pi}{sup 0} which is low in comparison with the expected value of sin2{beta}{approx_equal}0.73, and (c) a similar deviation in the parameter S for B{sup 0}{yields}{eta}{sup '}K{sub S}. These and related phenomena involving vector mesons in the final state are discussed in a unified way in and beyond the standard model. Future experiments which would conclusively indicate the presence of new physics are identified. Several of these involve decays of the strange B meson B{sub s}. In the standard model we prove an approximate sum rule for CP rate differences in B{sup 0}{yields}K{sup +}{pi}{sup -}, B{sup +}{yields}K{sup +}{pi}{sup 0} and B{sup 0}{yields}K{sup 0}{pi}{sup 0}, predicting a negative sign for the latter asymmetry.

  1. Effect of Driver Impedance on Dense Plasma Focus Z-Pinch Neutron Yield and Beam Acceleration

    NASA Astrophysics Data System (ADS)

    Sears, J.; Link, A.; Ellsworth, J.; Falabella, S.; Rusnak, B.; Tang, V.; Schmidt, A.; Welch, D.

    2014-10-01

    We explore the effect of driver characteristics on dense plasma focus (DPF) neutron yield and beam acceleration using particle-in-cell (PIC) simulations of a kJ-scale DPF. Our PIC simulations are fluid for the run-down phase and transition to fully kinetic for the pinch phase. The anode-cathode boundary is driven by a circuit model of the capacitive driver, including system inductance, the load of the railgap switches, the guard resistors, and the coaxial transmission line parameters. Simulations are benchmarked to measurements of a table top kJ DPF experiment with neutron yield measured with He3-based detectors. Simulated neutron yield scales approximately with the fourth power of peak current, I4. We also probe the accelerating fields by measuring the acceleration of a 4 MeV deuteron beam and by measuring the DPF self-generated beam energy distribution, finding gradients higher than 50 MV/m. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and supported by the Laboratory Directed Research and Development Program (11-ERD-063) at LLNL.

  2. Yields of single-strand breaks in double-stranded calf thymus DNA irradiated in aqueous solution in the presence of oxygen and scavengers

    SciTech Connect

    Udovicic, Lj.; Mark, F.; Bothe, E.

    1994-11-01

    Yields of radiation-induced single-strand breaks in double-stranded calf thymus DNA have been measured as a function of OH scavenger concentration in N{sub 2}O/O{sub 2}-saturated aqueous solution. The experimental data are well represented by a theoretical model based on non-homogeneous reaction kinetics, without the need to adjust any parameter. The good agreement between experimental and theoretical data is taken as evidence that, in the presence of oxygen, the main effect of added scavengers with respect to the formation of single-strand breaks in double-stranded DNA is OH radical scavenging. 30 refs., 3 figs., 1 tab.

  3. Determining the bistability parameter ranges of artificially induced lac operon using the root locus method.

    PubMed

    Avcu, N; Alyürük, H; Demir, G K; Pekergin, F; Cavas, L; Güzeli?, C

    2015-06-01

    This paper employs the root locus method to conduct a detailed investigation of the parameter regions that ensure bistability in a well-studied gene regulatory network namely, lac operon of Escherichia coli (E. coli). In contrast to previous works, the parametric bistability conditions observed in this study constitute a complete set of necessary and sufficient conditions. These conditions were derived by applying the root locus method to the polynomial equilibrium equation of the lac operon model to determine the parameter values yielding the multiple real roots necessary for bistability. The lac operon model used was defined as an ordinary differential equation system in a state equation form with a rational right hand side, and it was compatible with the Hill and Michaelis-Menten approaches of enzyme kinetics used to describe biochemical reactions that govern lactose metabolism. The developed root locus method can be used to study the steady-state behavior of any type of convergent biological system model based on mass action kinetics. This method provides a solution to the problem of analyzing gene regulatory networks under parameter uncertainties because the root locus method considers the model parameters as variable, rather than fixed. The obtained bistability ranges for the lac operon model parameters have the potential to elucidate the appearance of bistability for E. coli cells in in vivo experiments, and they could also be used to design robust hysteretic switches in synthetic biology. PMID:25864166

  4. Drilling ban yields verdict

    SciTech Connect

    Nation, L.M.

    1992-01-01

    This paper briefly reviews a lawsuit which is under appeal by the State of Michigan regarding a takings claim filed over a petroleum exploration site. The dispute arose as a result of a 1987 decision by the Michigan Department of Natural Resources forbidding the property owners from developing the mineral rights leased to Miller Brothers in the Huron/Manistee National Forest. This area is bisected by a trend of Silurian Niagaran reef complexes which has a known production history throughout the State. The dunes area of the national forest has been deemed a wilderness area. As a result of the State's decision, the courts have awarded a sum of 71 million dollars to the developer to cover damages and lost resources. The reserve estimates were taken from adjacent areas which showed that the Niagaran reefs are relatively consistent in their yield.

  5. Accurate argon cluster-ion sputter yields: Measured yields and effect of the sputter threshold in practical depth-profiling by x-ray photoelectron spectroscopy and secondary ion mass spectrometry

    SciTech Connect

    Cumpson, Peter J.; Portoles, Jose F.; Barlow, Anders J.; Sano, Naoko

    2013-09-28

    Argon Gas Cluster-Ion Beam sources are likely to become widely used on x-ray photoelectron spectroscopy and secondary ion mass spectrometry instruments in the next few years. At typical energies used for sputter depth profiling the average argon atom in the cluster has a kinetic energy comparable with the sputter threshold, meaning that for the first time in practical surface analysis a quantitative model of sputter yields near threshold is needed. We develop a simple equation based on a very simple model. Though greatly simplified it is likely to have realistic limiting behaviour and can be made useful for estimating sputter yields by fitting its three parameters to experimental data. We measure argon cluster-ion sputter yield using a quartz crystal microbalance close to the sputter threshold, for silicon dioxide, poly(methyl methacrylate), and polystyrene and (along with data for gold from the existing literature) perform least-squares fits of our new sputter yield equation to this data. The equation performs well, with smaller residuals than for earlier empirical models, but more importantly it is very easy to use in the design and quantification of sputter depth-profiling experiments.

  6. Multisite Kinetic Modeling of 13C Metabolic MR Using [1-13C]Pyruvate

    PubMed Central

    Gómez Damián, Pedro A.; Sperl, Jonathan I.; Janich, Martin A.; Khegai, Oleksandr; Wiesinger, Florian; Glaser, Steffen J.; Haase, Axel; Schwaiger, Markus; Schulte, Rolf F.; Menzel, Marion I.

    2014-01-01

    Hyperpolarized 13C imaging allows real-time in vivo measurements of metabolite levels. Quantification of metabolite conversion between [1-13C]pyruvate and downstream metabolites [1-13C]alanine, [1-13C]lactate, and [13C]bicarbonate can be achieved through kinetic modeling. Since pyruvate interacts dynamically and simultaneously with its downstream metabolites, the purpose of this work is the determination of parameter values through a multisite, dynamic model involving possible biochemical pathways present in MR spectroscopy. Kinetic modeling parameters were determined by fitting the multisite model to time-domain dynamic metabolite data. The results for different pyruvate doses were compared with those of different two-site models to evaluate the hypothesis that for identical data the uncertainty of a model and the signal-to-noise ratio determine the sensitivity in detecting small physiological differences in the target metabolism. In comparison to the two-site exchange models, the multisite model yielded metabolic conversion rates with smaller bias and smaller standard deviation, as demonstrated in simulations with different signal-to-noise ratio. Pyruvate dose effects observed previously were confirmed and quantified through metabolic conversion rate values. Parameter interdependency allowed an accurate quantification and can therefore be useful for monitoring metabolic activity in different tissues. PMID:25548671

  7. Dimension scaling effects on the yield sensitivity of HEMT digital circuits

    NASA Technical Reports Server (NTRS)

    Sarker, Jogendra C.; Purviance, John E.

    1992-01-01

    In our previous works, using a graphical tool, yield factor histograms, we studied the yield sensitivity of High Electron Mobility Transistors (HEMT) and HEMT circuit performance with the variation of process parameters. This work studies the scaling effects of process parameters on yield sensitivity of HEMT digital circuits. The results from two HEMT circuits are presented.

  8. Lens solutions which increase manufacturing yield

    NASA Astrophysics Data System (ADS)

    Szapiel, Stan; Greenhalgh, Catherine

    2010-08-01

    The classic method of design centering commonly used to increase the yield of electronic circuits is employed to improve manufacturability of complex lens designs. The approach uses the results of Monte Carlo (MC) statistics to iteratively center the nominal design on a new point that shows an improved yield. Rather than just employing the MC lens run for routine as-built performance forecast, the results of the simulation are re-used to find the changes in the nominal design parameters values which will increase the yield. The centers-of-gravity (COG) algorithm is selected as a quick and easy method of shifting the nominal design point in the multidimensional parameter space to the new location. The classic COG algorithm is modified to avoid situations when the position of either "pass" or "fail" center of gravity is difficult to determine. Examples of application, which include a wide-angle IR lens and a plan-apochromat objective for a digital microscope show that such method of lens design centering is promising, and even a single iteration may result in significantly improved yield.

  9. Oxidation kinetics of aluminum diboride

    SciTech Connect

    Whittaker, Michael L.; Sohn, H.Y.; Cutler, Raymond A.

    2013-11-15

    The oxidation characteristics of aluminum diboride (AlB{sub 2}) and a physical mixture of its constituent elements (Al+2B) were studied in dry air and pure oxygen using thermal gravimetric analysis to obtain non-mechanistic kinetic parameters. Heating in air at a constant linear heating rate of 10 °C/min showed a marked difference between Al+2B and AlB{sub 2} in the onset of oxidation and final conversion fraction, with AlB{sub 2} beginning to oxidize at higher temperatures but reaching nearly complete conversion by 1500 °C. Kinetic parameters were obtained in both air and oxygen using a model-free isothermal method at temperatures between 500 and 1000 °C. Activation energies were found to decrease, in general, with increasing conversion for AlB{sub 2} and Al+2B in both air and oxygen. AlB{sub 2} exhibited O{sub 2}-pressure-independent oxidation behavior at low conversions, while the activation energies of Al+2B were higher in O{sub 2} than in air. Differences in the composition and morphology between oxidized Al+2B and AlB{sub 2} suggested that Al{sub 2}O{sub 3}–B{sub 2}O{sub 3} interactions slowed Al+2B oxidation by converting Al{sub 2}O{sub 3} on aluminum particles into a Al{sub 4}B{sub 2}O{sub 9} shell, while the same Al{sub 4}B{sub 2}O{sub 9} developed a needle-like morphology in AlB{sub 2} that reduced oxygen diffusion distances and increased conversion. The model-free kinetic analysis was critical for interpreting the complex, multistep oxidation behavior for which a single mechanism could not be assigned. At low temperatures, moisture increased the oxidation rate of Al+2B and AlB{sub 2}, but both appear to be resistant to oxidation in cool, dry environments. - Graphical abstract: Isothermal kinetic data for AlB{sub 2} in air, showing a constantly decreasing activation energy with increasing conversion. Model-free analysis allowed for the calculation of global kinetic parameters despite many simultaneous mechanisms occurring concurrently. (a) Time–temperature plots, (b) conversion as a function of time, (c) Arrhenius plots used to calculate activation energies, and (d) activation energy as a function of conversion. Display Omitted - Highlights: • First reported kinetic parameters for AlB{sub 2} and Al+2B oxidation in air and O{sub 2}. • Possible mechanism of enhanced boron combustion presented. • Moisture sensitivity shown to be problematic for AlB{sub 2}, less for Al+2B.

  10. Oxidation kinetics of aluminum diboride

    NASA Astrophysics Data System (ADS)

    Whittaker, Michael L.; Sohn, H. Y.; Cutler, Raymond A.

    2013-11-01

    The oxidation characteristics of aluminum diboride (AlB2) and a physical mixture of its constituent elements (Al+2B) were studied in dry air and pure oxygen using thermal gravimetric analysis to obtain non-mechanistic kinetic parameters. Heating in air at a constant linear heating rate of 10 °C/min showed a marked difference between Al+2B and AlB2 in the onset of oxidation and final conversion fraction, with AlB2 beginning to oxidize at higher temperatures but reaching nearly complete conversion by 1500 °C. Kinetic parameters were obtained in both air and oxygen using a model-free isothermal method at temperatures between 500 and 1000 °C. Activation energies were found to decrease, in general, with increasing conversion for AlB2 and Al+2B in both air and oxygen. AlB2 exhibited O2-pressure-independent oxidation behavior at low conversions, while the activation energies of Al+2B were higher in O2 than in air. Differences in the composition and morphology between oxidized Al+2B and AlB2 suggested that Al2O3-B2O3 interactions slowed Al+2B oxidation by converting Al2O3 on aluminum particles into a Al4B2O9 shell, while the same Al4B2O9 developed a needle-like morphology in AlB2 that reduced oxygen diffusion distances and increased conversion. The model-free kinetic analysis was critical for interpreting the complex, multistep oxidation behavior for which a single mechanism could not be assigned. At low temperatures, moisture increased the oxidation rate of Al+2B and AlB2, but both appear to be resistant to oxidation in cool, dry environments.

  11. Kinetics of Propargyl Radical Dissociation.

    PubMed

    Klippenstein, Stephen J; Miller, James A; Jasper, Ahren W

    2015-07-16

    Due to the prominent role of the propargyl radical for hydrocarbon growth within combustion environments, it is important to understand the kinetics of its formation and loss. The ab initio transition state theory-based master equation method is used to obtain theoretical kinetic predictions for the temperature and pressure dependence of the thermal decomposition of propargyl, which may be its primary loss channel under some conditions. The potential energy surface for the decomposition of propargyl is first mapped at a high level of theory with a combination of coupled cluster and multireference perturbation calculations. Variational transition state theory is then used to predict the microcanonical rate coefficients, which are subsequently implemented within the multiple-well multiple-channel master equation. A variety of energy transfer parameters are considered, and the sensitivity of the thermal rate predictions to these parameters is explored. The predictions for the thermal decomposition rate coefficient are found to be in good agreement with the limited experimental data. Modified Arrhenius representations of the rate constants are reported for utility in combustion modeling. PMID:25871530

  12. Reaction kinetics of coarse-grained equilibrium polymers: a Brownian Dynamics study

    E-print Network

    C-C Huang; H. Xu; F. Crevel; J. Wittmer; J. -P. Ryckaert

    2006-04-11

    Self-assembled linear structures like giant cylindrical micelles or discotic molecules in solution stacked in flexible columns are systems reminiscent of polydisperse polymer solutions.These supramolecular polymers have an equilibrium length distribution, the result of a competition between the random breakage of chains and the fusion of chains to generate longer ones. In the present work, we review the basic theoretical concepts of these ``equilibrium polymers" and some of the important results obtained by simulation approaches. We propose a new version of a mesoscopic model in continuous space based on the bead and FENE spring polymer model which is treated by Brownian Dynamics and Monte-Carlo binding/unbinding reversible changes for adjacent monomers in space, characterized by an attempt frequency parameter. For a dilute and a moderately semi-dilute state-points which both correspond to dynamically unentangled regimes, the dynamic properties are found to depend upon $\\omega$ through the effective life time $\\tau_b$ of the average size chain which, in turn, yields the kinetic reaction coefficients of the mean-field kinetic model proposed by Cates. Simple kinetic theories seem to work for times $ t \\geq \\tau_b$ while at shorter time, strong dynamical correlation effects are observed.

  13. Measurement of intracellular ice formation kinetics by high-speed video cryomicroscopy.

    PubMed

    Karlsson, Jens O M

    2015-01-01

    Quantitative information about the kinetics and cumulative probability of intracellular ice formation is necessary to develop minimally damaging freezing procedures for the cryopreservation of cells and tissue. Conventional cryomicroscopic assays, which rely on indirect evidence of intracellular freezing (e.g., opacity changes in the cell cytoplasm), can yield significant errors in the estimated kinetics. In contrast, the formation and growth of intracellular ice crystals can be accurately detected using temporally resolved imaging methods (i.e., video recording at sub-millisecond resolution). Here, detailed methods for the setup and operation of a high-speed video cryomicroscope system are described, including protocols for imaging of intracellular ice crystallization events, and stochastic analysis of the ice formation kinetics in a cell population. Recommendations are provided for temperature profile design, sample preparation, and configuration of the video acquisition parameters. Throughout this chapter, the protocols incorporate best practices that have been drawn from over a decade of experience with high-speed video cryomicroscopy in our laboratory. PMID:25428007

  14. Kinetic study on the effect of temperature on biogas production using a lab scale batch reactor.

    PubMed

    Deepanraj, B; Sivasubramanian, V; Jayaraj, S

    2015-11-01

    In the present study, biogas production from food waste through anaerobic digestion was carried out in a 2l laboratory-scale batch reactor operating at different temperatures with a hydraulic retention time of 30 days. The reactors were operated with a solid concentration of 7.5% of total solids and pH 7. The food wastes used in this experiment were subjected to characterization studies before and after digestion. Modified Gompertz model and Logistic model were used for kinetic study of biogas production. The kinetic parameters, biogas yield potential of the substrate (B), the maximum biogas production rate (Rb) and the duration of lag phase (?), coefficient of determination (R(2)) and root mean square error (RMSE) were estimated in each case. The effect of temperature on biogas production was evaluated experimentally and compared with the results of kinetic study. The results demonstrated that the reactor with operating temperature of 50°C achieved maximum cumulative biogas production of 7556ml with better biodegradation efficiency. PMID:25963808

  15. Integrated rate equation considering product inhibition and its application to kinetic assay of serum ethanol.

    PubMed

    Liao, Fei; Zhao, Li-na; Zhao, Yun-sheng; Tao, Jia; Zuo, Yuping

    2007-04-01

    Kinetic assay of serum ethanol was investigated by predicting maximal product absorbance at 340 nm (A(mk)) through fitting to the yeast alcohol dehydrogenase reaction curve with the integrated rate equation, taking into account product inhibition in the presence of semicarbazide. Predicted A(mk) linearly responded to the preset constant of steady-state concentration of acetaldehyde (C(ald)). An exponential correlation function was established between desired C(ald) and putative A(mk) for authentic ethanol. For unknown samples, iterative fitting to reaction curve till preset constant C(ald) and resultant A(mk) satisfied this exponential correlation function yielded A(mk) with variation coefficient <4.3%. Variations in enzyme activity, data range and kinetic parameters showed negligible effects. The recovery was consistent to 100% with resistance to methanol and isopropanol. The upper limit of linear response for A(mk) was about 40 times of the lower limit. These results indicated that this kinetic method was reliable for serum ethanol assays with obvious advantages. PMID:17420549

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

    SciTech Connect

    Kumar, V.T.

    1992-01-01

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

  17. On the coverage dependence of Arrhenius parameters in thermal desorption of interacting adsorbates

    NASA Astrophysics Data System (ADS)

    Zuniga-Hansen, Nayeli; Silbert, Leonardo E.; Calbi, M. Mercedes

    2014-03-01

    In temperature programmed desorption (TPD) the ``compensation effect'' is a linear relationship between the activation energy, Ea, and the preexponential factor, ?n, of the Arrhenius equation. From the Arrhenius plot ln -?/? ? vs. 1/T, we can extract the activation energy and the preexponential factor to test the validity of linearity. A linear relationship has been demonstrated to be valid when the kinetic parameters are independent of the surface coverage. In the presence of adsorbate-adsorbate interactions this analysis fails because the second order effects come into play. The compensation effect arises from the assumption that the second order terms in the derivative of the plot sum to zero. Some authors refer to this as a ``forced'' compensation effect and show that it can yield misleading results. Therefore this effect has not been completely understood. We use kinetic Monte Carlo simulations on ordered and disordered surface configurations to investigate the coverage dependence of the kinetic parameters to verify whether the compensation effect provides reliable information for our system, we do this over a range of binding and interaction energies.

  18. Fully kinetic simulations of megajoule-scale dense plasma focus

    SciTech Connect

    Schmidt, A.; Link, A.; Tang, V.; Halvorson, C.; May, M.; Welch, D.; Meehan, B. T.; Hagen, E. C.

    2014-10-15

    Dense plasma focus (DPF) Z-pinch devices are sources of copious high energy electrons and ions, x-rays, and neutrons. Megajoule-scale DPFs can generate 10{sup 12} neutrons per pulse in deuterium gas through a combination of thermonuclear and beam-target fusion. However, the details of the neutron production are not fully understood and past optimization efforts of these devices have been largely empirical. Previously, we reported on the first fully kinetic simulations of a kilojoule-scale DPF and demonstrated that both kinetic ions and kinetic electrons are needed to reproduce experimentally observed features, such as charged-particle beam formation and anomalous resistivity. Here, we present the first fully kinetic simulation of a MegaJoule DPF, with predicted ion and neutron spectra, neutron anisotropy, neutron spot size, and time history of neutron production. The total yield predicted by the simulation is in agreement with measured values, validating the kinetic model in a second energy regime.

  19. Fully kinetic simulations of megajoule-scale dense plasma focus

    NASA Astrophysics Data System (ADS)

    Schmidt, A.; Link, A.; Welch, D.; Meehan, B. T.; Tang, V.; Halvorson, C.; May, M.; Hagen, E. C.

    2014-10-01

    Dense plasma focus (DPF) Z-pinch devices are sources of copious high energy electrons and ions, x-rays, and neutrons. Megajoule-scale DPFs can generate 1012 neutrons per pulse in deuterium gas through a combination of thermonuclear and beam-target fusion. However, the details of the neutron production are not fully understood and past optimization efforts of these devices have been largely empirical. Previously, we reported on the first fully kinetic simulations of a kilojoule-scale DPF and demonstrated that both kinetic ions and kinetic electrons are needed to reproduce experimentally observed features, such as charged-particle beam formation and anomalous resistivity. Here, we present the first fully kinetic simulation of a MegaJoule DPF, with predicted ion and neutron spectra, neutron anisotropy, neutron spot size, and time history of neutron production. The total yield predicted by the simulation is in agreement with measured values, validating the kinetic model in a second energy regime.

  20. Ethanol inhibition kinetics of Kluyveromyces marxianus grown on Jerusalem artichoke juice

    SciTech Connect

    Bajpai, P.; Margaritis, A.

    1982-12-01

    The kinetics of ethanol inhibition on cell growth and ethanol production by Kluyveromyces marxianus UCD (FST) 55-82 were studied during batch growth. The liquid medium contained 10% (weight/volume) inulin-type sugars derived from an extract of Jerusalem artichoke (Helianthus tuberosus) tubers, supplemented with small amounts of Tween 80, oleic acid, and corn steep liquor. Initial ethanol concentrations ranging from 0 to 80 g/liter in the liquid medium were used to study the inhibitory effect of ethanol on the following parameters: maximum specific growth rate (mu max), cell and ethanol yields, and sugar utilization. It was found that as the initial ethanol concentration increased from 0 to 80 g/liter, and maximum specific growth rate of K. marxianus cells decreased from 0.42 to 0.09/hour, whereas the ethanol and cell yields and sugar utilization remained almost constant. A simple kinetic model was used to correlate the mu max results and the rates of cell and ethanol production, and the appropriate constants were evaluated. (Refs. 22).

  1. Adsorption kinetics of methyl violet onto perlite.

    PubMed

    Do?an, Mehmet; Alkan, Mahir

    2003-01-01

    This study examines adsorption kinetics and activation parameters of methyl violet on perlite. The effect of process parameters like contact time, concentration of dye, temperature and pH on the extent of methyl violet adsorption from solution has been investigated. Results of the kinetic studies show that the adsorption reaction is first order with respect to dye solution concentration with activation energy of 13.2 kJ mol(-1). This low activation energy value indicates that the adsorption reaction is diffusion controlled. The activation parameters using Arrhenius and Eyring equations have been calculated. Adsorption increases with increase of variables such as contact time, initial dye concentration, temperature and pH. PMID:12685751

  2. Kinetic model for kraft pulping of hardwood

    SciTech Connect

    Giudici, R.; Park, S.W.

    1996-03-01

    A comprehensive model for the kraft pulping kinetics of Eucalyptus saligna hardwood is presented. Kinetic parameters were estimated by fitting the model to available experimental data taken from the literature over a range of process variables. The model takes into account the effect of hydroxide and sulfide concentration in the liquor as well as the temperature-time history of the cooking. Model predictions were successfully compared with an independent set of bench-scale plant data for lignin and carbohydrate dissolution. The model is able to predict quite well the trends of the process variables.

  3. Modelling heart rate kinetics.

    PubMed

    Zakynthinaki, Maria S

    2015-01-01

    The objective of the present study was to formulate a simple and at the same time effective mathematical model of heart rate kinetics in response to movement (exercise). Based on an existing model, a system of two coupled differential equations which give the rate of change of heart rate and the rate of change of exercise intensity is used. The modifications introduced to the existing model are justified and discussed in detail, while models of blood lactate accumulation in respect to time and exercise intensity are also presented. The main modification is that the proposed model has now only one parameter which reflects the overall cardiovascular condition of the individual. The time elapsed after the beginning of the exercise, the intensity of the exercise, as well as blood lactate are also taken into account. Application of the model provides information regarding the individual's cardiovascular condition and is able to detect possible changes in it, across the data recording periods. To demonstrate examples of successful numerical fit of the model, constant intensity experimental heart rate data sets of two individuals have been selected and numerical optimization was implemented. In addition, numerical simulations provided predictions for various exercise intensities and various cardiovascular condition levels. The proposed model can serve as a powerful tool for a complete means of heart rate analysis, not only in exercise physiology (for efficiently designing training sessions for healthy subjects) but also in the areas of cardiovascular health and rehabilitation (including application in population groups for which direct heart rate recordings at intense exercises are not possible or not allowed, such as elderly or pregnant women). PMID:25876164

  4. Modelling Heart Rate Kinetics

    PubMed Central

    Zakynthinaki, Maria S.

    2015-01-01

    The objective of the present study was to formulate a simple and at the same time effective mathematical model of heart rate kinetics in response to movement (exercise). Based on an existing model, a system of two coupled differential equations which give the rate of change of heart rate and the rate of change of exercise intensity is used. The modifications introduced to the existing model are justified and discussed in detail, while models of blood lactate accumulation in respect to time and exercise intensity are also presented. The main modification is that the proposed model has now only one parameter which reflects the overall cardiovascular condition of the individual. The time elapsed after the beginning of the exercise, the intensity of the exercise, as well as blood lactate are also taken into account. Application of the model provides information regarding the individual’s cardiovascular condition and is able to detect possible changes in it, across the data recording periods. To demonstrate examples of successful numerical fit of the model, constant intensity experimental heart rate data sets of two individuals have been selected and numerical optimization was implemented. In addition, numerical simulations provided predictions for various exercise intensities and various cardiovascular condition levels. The proposed model can serve as a powerful tool for a complete means of heart rate analysis, not only in exercise physiology (for efficiently designing training sessions for healthy subjects) but also in the areas of cardiovascular health and rehabilitation (including application in population groups for which direct heart rate recordings at intense exercises are not possible or not allowed, such as elderly or pregnant women). PMID:25876164

  5. Kinetic Boundary Layers and FluidKinetic Coupling in Semiconductors

    E-print Network

    Schmeiser, Christian

    Kinetic Boundary Layers and Fluid­Kinetic Coupling in Semiconductors Pierre Degond 1 and Christian, kinetic boundary layers are analyzed and higher order accurate boundary conditions are constructed are derived. As an application, interface conditi­ ons for the fluid­kinetic coupling in a domain

  6. WHAT IS A KINETIC EQUATION ? WHY DO WE NEED A KINETIC THEORY ? WHEN DO WE USE KINETIC EQUATIONS ? HILBERT'S 6TH PRO Introduction to kinetic equations and their

    E-print Network

    Kim, Yong Jung

    WHAT IS A KINETIC EQUATION ? WHY DO WE NEED A KINETIC THEORY ? WHEN DO WE USE KINETIC EQUATIONS A KINETIC THEORY ? WHEN DO WE USE KINETIC EQUATIONS ? HILBERT'S 6TH PRO Outline What is a kinetic equation ? Why do we need a kinetic theory ? When do we use kinetic equations ? Hilbert's 6th problem

  7. A "Stationery" Kinetics Experiment.

    ERIC Educational Resources Information Center

    Hall, L.; Goberdhansingh, A.

    1988-01-01

    Describes a simple redox reaction that occurs between potassium permanganate and oxalic acid that can be used to prepare an interesting disappearing ink for demonstrating kinetics for introductory chemistry. Discusses laboratory procedures and factors that influence disappearance times. (CW)

  8. Chemical Kinetics Database

    National Institute of Standards and Technology Data Gateway

    SRD 17 NIST Chemical Kinetics Database (Web, free access)   The NIST Chemical Kinetics Database includes essentially all reported kinetics results for thermal gas-phase chemical reactions. The database is designed to be searched for kinetics data based on the specific reactants involved, for reactions resulting in specified products, for all the reactions of a particular species, or for various combinations of these. In addition, the bibliography can be searched by author name or combination of names. The database contains in excess of 38,000 separate reaction records for over 11,700 distinct reactant pairs. These data have been abstracted from over 12,000 papers with literature coverage through early 2000.

  9. Development of off-gas emission kinetics for stored wood pellets.

    PubMed

    Fan, Chuigang; Bi, Xiaotao T

    2013-01-01

    A lumped three-reaction kinetic model for off-gas emissions of stored wood pellets in sealed containers has been developed accounting for the formation of CO and CO(2) and the depletion of O(2). Off-gas emission data at different conditions were used to extract kinetic model parameters by numerically fitting the proposed model equations. The fitted kinetic model parameters for different cases showed consistency with one another. With properly estimated model parameters, the current kinetic model can be used to predict off-gas emissions, oxygen depletion, and the buildup of toxic air pollutants in wood pellet storage containers/vessels. PMID:22826538

  10. APEX (Aqueous Photochemistry of Environmentally occurring Xenobiotics): a free software tool to predict the kinetics of photochemical processes in surface waters.

    PubMed

    Bodrato, Marco; Vione, Davide

    2014-04-01

    The APEX software predicts the photochemical transformation kinetics of xenobiotics in surface waters as a function of: photoreactivity parameters (direct photolysis quantum yield and second-order reaction rate constants with transient species, namely ?OH, CO?(-)?, (1)O? and the triplet states of chromophoric dissolved organic matter, (3)CDOM*), water chemistry (nitrate, nitrite, bicarbonate, carbonate, bromide and dissolved organic carbon, DOC), and water depth (more specifically, the optical path length of sunlight in water). It applies to well-mixed surface water layers, including the epilimnion of stratified lakes, and the output data are average values over the considered water column. Based on intermediate formation yields from the parent compound via the different photochemical pathways, the software can also predict intermediate formation kinetics and overall yield. APEX is based on a photochemical model that has been validated against available field data of pollutant phototransformation, with good agreement between model predictions and field results. The APEX software makes allowance for different levels of knowledge of a photochemical system. For instance, the absorption spectrum of surface water can be used if known, or otherwise it can be modelled from the values of DOC. Also the direct photolysis quantum yield can be entered as a detailed wavelength trend, as a single value (constant or average), or it can be defined as a variable if unknown. APEX is based on the free software Octave. Additional applications are provided within APEX to assess the ?-level uncertainty of the results and the seasonal trend of photochemical processes. PMID:24356583

  11. Optimization and Kinetic Studies on Biodiesel Production from Kusum (Schleichera triguga) Oil Using Response Surface Methodology.

    PubMed

    Sarve, Antaram; Varma, Mahesh N; Sonawane, Shriram S

    2015-01-01

    In the present study, the low-cost non-edible kusum (Schleichera triguga) oil with a substantial amount of free fatty acid (FFA) was utilized for biodiesel synthesis. In pretreatment step, FFA was reduced by the acid catalyzed esterification method. Then, response surface method (RSM) in conjunction with centre composite design (CCD) containing 30 experimental runs were statistically employed for process optimization and kinetic study for the base catalyzed transesterification process. A statistical model predicted highest fatty acid methyl ester (FAME) yield of 97.37% at the optimal values of process parameters as follows: sodium methoxide concentration 0.9 wt% of oil, Methanol to oil molar ratio 9:1, temperature 58.9 ? and reaction time 58.5 min. Using these optimal parameters under experimental conditions in three independent replicates an actual FAME content of 98.14% was obtained which was in reasonable agreement with predicted one. The developed kinetic model suggested a 1.8(th) order reaction with activation energy of 31.42 kcal mol(-1) and frequency factor of 5.53×10(19) L mol(-1)min(-1). Furthermore, Important fuel properties of kusum oil biodiesel (KOB) was compared with ASTM 6751 and DIN EN 14214. The viscosity was found to be 5.34 Cst at 40 °C and the flash point was 152°C. PMID:26329771

  12. Kinetic modeling of petroleum formation in the Maracaibo Basin: Final report, Annex 12

    SciTech Connect

    Burnham, A.K.; Braun, R.L.; Sweeney, J.J.; Reynolds, J.G.; Vallejos, C.; Talukdar, S.

    1992-07-01

    The purpose of this project is to develop and test improved kinetic models of petroleum generation and cracking, pore pressure buildup, and fluid expulsion. The work was performed jointly between Lawrence Livermore National Laboratory and Research Organization of the Venezuelan National Petroleum Company under Annex 12 of an agreement between DOE and the Venezuelan Ministry of Energy and Mines. Laboratory experiments were conducted at both LLNL and INTEVEP to obtain the reaction rate and product composition information needed to develop chemical kinetic models. Experiments at INTEVEP included hydrous pyrolysis and characterization of oils by gas and liquid chromatography. Experiments at LLNL included programmed pyrolysis in open and self-purging reactors, sometimes including on-line gas analysis by tandem mass spectrometry, and characterization of oils by gas chromatography and nuclear magnetic resonance. The PMOD code was used to develop a detailed pyrolysis mechanism from the extensive laboratory data. This mechanism is able to predict yield of bitumen, oil, and gas as a function of time and temperature for such diverse laboratory conditions as hydrous pyrolysis and rapid, programmed, open pyrolysis. PMOD calculations were compared to geologic observations for 22 wells in the Maracaibo basin. When permeability parameters are chosen to match calculated pore pressures with measured present day values, the PMOD calculations indicate that organic maturation reactions contribute a significant fraction of the overpressure during oil generation and early oil cracking. Calculations agreed with observed geochemical maturity parameters of the source rock. 37 refs., 64 figs., 20 tabs.

  13. Glutathione reductase: Comparison of steady-state and rapid reaction primary kinetic isotope effects exhibited by the yeast, spinach, and Escherichia coli enzymes

    SciTech Connect

    Vanoni, M.A.; Wong, K.K.; Ballou, D.P.; Blanchard, J.S. )

    1990-06-19

    Kinetic parameters for NADPH and NADH have been determined at pH 8.1 for spinach, yeast, and E. coli glutathione reductases. NADPH exhibited low Km values for all enzymes (3-6 microM), while the Km values for NADH were 100 times higher (approximately 400 microM). Under our experimental conditions, the percentage of maximal velocities with NADH versus those measured with NADPH were 18.4, 3.7, and 0.13% for the spinach, yeast, and E. coli enzymes, respectively. Primary deuterium kinetic isotope effects were independent of GSSG concentration between Km and 15Km levels, supporting a ping-pong kinetic mechanism. For each of the three enzymes, NADPH yielded primary deuterium kinetic isotope effects on Vmax only, while NADH exhibited primary deuterium kinetic isotope effects on both V and V/K. The magnitude of DV/KNADH at pH 8.1 is 4.3 for the spinach enzyme, 2.7 for the yeast enzyme, and 1.6 for the E. coli glutathione reductase. The experimentally determined values of TV/KNADH of 7.4, 4.2, and 2.2 for the spinach, yeast, and E. coli glutathione reductases agree well with those calculated from the corresponding DV/KNADH using the Swain-Schaad expression. This suggests that the intrinsic primary kinetic isotope effect on NADH oxidation is fully expressed. In order to confirm this conclusion, single-turnover experiments have been performed. The measured primary deuterium kinetic isotope effects on the enzyme reduction half-reaction using NADH match those measured in the steady state for each of the three glutathione reductases.

  14. Effects of process parameters on hydrothermal carbonization

    NASA Astrophysics Data System (ADS)

    Uddin, Md. Helal

    In recent years there has been increased research activity in renewable energy, especially upgrading widely available lignicellulosic biomass, in a bid to counter the increasing environmental concerns related with the use of fossil fuels. Hydrothermal carbonization (HTC), also known as wet torrefaction or hot water pretreatment, is a process for pretreatment of diverse lignocellulosic biomass feedstocks, where biomass is treated under subcritical water conditions in short contact time to produce high-value products. The products of this process are: a solid mass characterized as biochar/biocoal/biocarbon, which is homogeneous, energy dense, and hydrophobic; a liquid stream composed of five and six carbon sugars, various organic acids, and 5-HMF; and a gaseous stream, mainly CO2. A number of process parameters are considered important for the extensive application of the HTC process. Primarily, reaction temperature determines the characteristics of the products. In the solid product, the oxygen carbon ratio decreases with increasing reaction temperature and as a result, HTC biochar has the similar characteristics to low rank coal. However, liquid and gaseous stream compositions are largely correlated with the residence time. Biomass particle size can also limit the reaction kinetics due to the mass transfer effect. Recycling of process water can help to minimize the utility consumption and reduce the waste treatment cost as a result of less environmental impact. Loblolly pine was treated in hot compressed water at 200 °C, 230 °C, and 260 °C with 5:1 water:biomass mass ratio to investigate the effects of process parameters on HTC. The solid product were characterized by their mass yields, higher heating values (HHV), and equilibrium moisture content (EMC), while the liquid were characterized by their total organic carbon content and pH value.

  15. Study of the growth and switching kinetics on ferroelectric nanocrystals of copolymer vinylidene fluoride and trifluoroethylene on an atomic force microscope

    SciTech Connect

    Gaynutdinov, R. V. Lysova, O. A.; Tolstikhina, A. L.; Fridkin, V. M.; Yudin, S. G.; Ducharme, S.

    2013-03-15

    The growth of nanocrystals obtained from Langmuir-Blodgett films of ferroelectric copolymer consisting of 70% vinylidene fluoride and 30% trifluoroethylene has been investigated by atomic force microscopy (AFM). The radius and concentration of nanocrystals are found to depend on the annealing time of the film. A model for nanocrystal growth is proposed which yields adequate time dependences for nanocrystal size parameters. The switching kinetics of individual ferroelectric nanocrystals with an average diameter of 100-200 nm and a height of 15-20 nm has been investigated in the piezoelectric response mode. It is shown that the switching of nanocrystals has an activation character.

  16. Thermogravimetric kinetics of crude glycerol.

    PubMed

    Dou, Binlin; Dupont, Valerie; Williams, Paul T; Chen, Haisheng; Ding, Yulong

    2009-05-01

    The pyrolysis of the crude glycerol from a biodiesel production plant was investigated by thermogravimetry coupled with Fourier transform infrared spectroscopy. The main gaseous products are discussed, and the thermogravimetric kinetics derived. There were four distinct phases in the pyrolysis process of the crude glycerol. The presence of water and methanol in the crude glycerol and responsible for the first decomposition phase, were shown to catalyse glycerol decomposition (second phase). Unlike the pure compound, crude glycerol decomposition below 500 K leaves behind a large mass fraction of pyrolysis residues (ca. 15%), which eventually partially eliminate in two phases upon reaching significantly higher temperatures (700 and 970 K, respectively). An improved iterative Coats-Redfern method was used to evaluate non-isothermal kinetic parameters in each phase. The latter were then utilised to model the decomposition behaviour in non-isothermal conditions. The power law model (first order) predicted accurately the main (second) and third phases in the pyrolysis of the crude glycerol. Differences of 10-30 kJ/mol in activation energies between crude and pure glycerol in their main decomposition phase corroborated the catalytic effect of water and methanol in the crude pyrolysis. The 3-D diffusion model more accurately reproduced the fourth (last) phase, whereas the short initial decomposition phase was poorly simulated despite correlation coefficients ca. 0.95-0.96. The kinetics of the 3rd and 4th decomposition phases, attributed to fatty acid methyl esters cracking and pyrolysis tarry residues, were sensitive to the heating rate. PMID:19167215

  17. Kinetics of photoacclimation in corals.

    PubMed

    Anthony, Kenneth R N; Hoegh-Guldberg, Ove

    2003-01-01

    Traditional models describing the relationship between photosynthesis (P) and irradiance (I) do not account for photoacclimation to short-term variation in irradiance. Here we develop and test a model that predicts the rate of photosynthesis under fluctuating irradiances at the scale of days to weeks. Using oxygen respirometry, we measured the rates of change in the P-I model parameters P(max) (maximum rate of gross photosynthesis) and I(k) (sub-saturation irradiance) of the photo-symbiotic coral Turbinaria mesenterina (Lamarck) following large and small increases and decreases in growth irradiance. We analyse the behaviour of the dynamic P-I model in turbid-water conditions using a dataset of 3-month continuous irradiance as the input variable. In response to upward or downward changes in experimental growth irradiance, I(k) values decreased or increased exponentially, reaching new and stable levels within 5-10 days. I(k) responded 4 times stronger than P(max) to changes in growth irradiance. The kinetics of I(k) did not show hysteresis, and changed in similar ways when irradiance was increased or decreased in small or large amounts. This suggests that mechanisms associated with photo-protection during increases in irradiance, and the maximisation of photosynthetic efficiency during decreases in irradiance, are equally potent. On the scale of months, the dynamic P-I model did not predict higher rates of photosynthesis than the static P-I model, but buffered the variation in photosynthesis during periods of reduced irradiance. Fourier analysis indicated that the kinetics of I(k) closely matches the main periodicities in daily irradiance (1-2 weeks). The recorded kinetics of photoacclimation in the Turbinaria-zooxanthella symbiosis is comparable to that of free-living phytoplankton and faster than that of higher plants. PMID:12647175

  18. Thermodynamically Feasible Kinetic Models of Reaction Networks

    PubMed Central

    Ederer, Michael; Gilles, Ernst Dieter

    2007-01-01

    The dynamics of biological reaction networks are strongly constrained by thermodynamics. An holistic understanding of their behavior and regulation requires mathematical models that observe these constraints. However, kinetic models may easily violate the constraints imposed by the principle of detailed balance, if no special care is taken. Detailed balance demands that in thermodynamic equilibrium all fluxes vanish. We introduce a thermodynamic-kinetic modeling (TKM) formalism that adapts the concepts of potentials and forces from irreversible thermodynamics to kinetic modeling. In the proposed formalism, the thermokinetic potential of a compound is proportional to its concentration. The proportionality factor is a compound-specific parameter called capacity. The thermokinetic force of a reaction is a function of the potentials. Every reaction has a resistance that is the ratio of thermokinetic force and reaction rate. For mass-action type kinetics, the resistances are constant. Since it relies on the thermodynamic concept of potentials and forces, the TKM formalism structurally observes detailed balance for all values of capacities and resistances. Thus, it provides an easy way to formulate physically feasible, kinetic models of biological reaction networks. The TKM formalism is useful for modeling large biological networks that are subject to many detailed balance relations. PMID:17208985

  19. CROP WATER USE AND YIELD

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This paper discusses the various factors that affect dryland crop yields, including water availability, rooting patterns, length of growing season, time of year, and crop type (C3 vs C4, cereals, legumes, oilseeds). Crop yield/water production functions have slopes that range from 582 lb/a/inch for ...

  20. Brazil soybean yield covariance model

    NASA Technical Reports Server (NTRS)

    Callis, S. L.; Sakamoto, C.

    1984-01-01

    A model based on multiple regression was developed to estimate soybean yields for the seven soybean-growing states of Brazil. The meteorological data of these seven states were pooled and the years 1975 to 1980 were used to model since there was no technological trend in the yields during these years. Predictor variables were derived from monthly total precipitation and monthly average temperature.

  1. Origin of apparent viscosity in yield stress fluids below yielding

    NASA Astrophysics Data System (ADS)

    Møller, P. C. F.; Fall, A.; Bonn, D.

    2009-08-01

    For more than 20 years it has been debated if yield stress fluids are solid below the yield stress or actually flow; whether true yield stress fluids exist or not. Advocates of the true yield stress picture have demonstrated that the effective viscosity increases very rapidly as the stress is decreased towards the yield stress. Opponents have shown that this viscosity increase levels off, and that the material behaves as a Newtonian fluid of very high viscosity below the yield stress. In this paper, we demonstrate experimentally (on four different materials, using three different rheometers, five different geometries, and two different measurement methods) that the low-stress Newtonian viscosity is an artifact that arises in non-steady-state experiments. For measurements as long as 104 seconds we find that the value of the "Newtonian viscosity" increases indefinitely. This proves that the yield stress exists and marks a sharp transition between flowing states and states where the steady-state viscosity is infinite —a solid!

  2. Enzyme-catalyzed synthesis and kinetics of ultrasonic-assisted biodiesel production from waste tallow.

    PubMed

    Adewale, Peter; Dumont, Marie-Josée; Ngadi, Michael

    2015-11-01

    The use of ultrasonic processing was evaluated for its ability to achieve adequate mixing while providing sufficient activation energy for the enzymatic transesterification of waste tallow. The effects of ultrasonic parameters (amplitude, cycle and pulse) and major reaction factors (molar ratio and enzyme concentration) on the reaction kinetics of biodiesel generation from waste tallow bio-catalyzed by immobilized lipase [Candida antarctica lipase B (CALB)] were investigated. Three sets of experiments namely A, B, and C were conducted. In experiment set A, two factors (ultrasonic amplitude and cycle) were investigated at three levels; in experiment set B, two factors (molar ratio and enzyme concentration) were examined at three levels; and in experiment set C, two factors (ultrasonic amplitude and reaction time) were investigated at five levels. A Ping Pong Bi Bi kinetic model approach was employed to study the effect of ultrasonic amplitude on the enzymatic transesterification. Kinetic constants of transesterification reaction were determined at different ultrasonic amplitudes (30%, 35%, 40%, 45%, and 50%) and enzyme concentrations (4, 6, and 8 wt.% of fat) at constant molar ratio (fat:methanol); 1:6, and ultrasonic cycle; 5 Hz. Optimal conditions for ultrasound-assisted biodiesel production from waste tallow were fat:methanol molar ratio, 1:4; catalyst level 6% (w/w of fat); reaction time, 20 min (30 times less than conventional batch processes); ultrasonic amplitude 40% at 5 Hz. The kinetic model results revealed interesting features of ultrasound assisted enzyme-catalyzed transesterification (as compared to conventional system): at ultrasonic amplitude 40%, the reaction activities within the system seemed to be steady after 20 min which means the reaction could proceed with or without ultrasonic mixing. Reversed phase high performance liquid chromatography indicated the biodiesel yield to be 85.6±0.08%. PMID:26186814

  3. FIRST ORDER KINETIC GAS GENERATION MODEL PARAMETERS FOR WET LANDFILLS

    EPA Science Inventory

    Landfill gas is produced as a result of a sequence of physical, chemical, and biological processes occurring within an anaerobic landfill. Landfill operators, energy recovery project owners, regulators, and energy users need to be able to project the volume of gas produced and re...

  4. Determination of the Kinetic Parameters of Atom Transfer Radical Polymerizations

    E-print Network

    reaction, we found that equilibrium constant of atom transfer reaction could be successfully determined and deactivation reaction constant is hard to be determined ubiquitously because of the poor sensitivities of them of active chain ends by establishing dynamic equilibrium between active radicals and dormant species

  5. On the Derivation of Polyurethane Kinetic Parameters Using Genetic Algorithms 

    E-print Network

    Rein, Guillermo; Herren, Jaime; Fernandez-Pello, Carlos; Urban, David

    controlled atmosphere such as nitrogen. TGA curves provide information regarding the different reactions of the solid material. The TGA experiments [Chao and Wang, J. Fire Sci. 19 (2001)] of polyurethane in inert atmosphere (100% N2) are used to study...

  6. Estimation of kinetic model parameters in fluorescence optical diffusion tomography

    E-print Network

    et al.13 mea- sured the dynamics of two light-absorbing dyes, ICG and methylene blue to its small molecular weight of 373.9 Da, the methylene blue temporal dynamics were dominated by blood flow effects. From the methylene blue measurements, the authors observed variations in perfu- sion

  7. Improved Electron Yield and Spin-Polarizaton from III-V Photocathodes Via Bias Enhanced Carrier Drift

    SciTech Connect

    Mulhollan, Gregory A.; Bierman, John; Brachmann, Axel; Clendenin, James E.; Garwin, Edward; Kirby, Robert; Luh, Dah-An; Maruyama, Takashi; Prepost, Richard; /Wisconsin U., Madison

    2005-09-14

    Spin-polarized electrons are commonly used in high energy physics. Future work will benefit from greater polarization. Polarizations approaching 90% have been achieved at the expense of yield. The primary paths to higher polarization are material design and electron transport. Our work addresses the latter. Photoexcited electrons may be preferentially emitted or suppressed by an electric field applied across the active region. We are tuning this forward bias for maximum polarization and yield, together with other parameters, e.g., doping profile. Preliminary measurements have been carried out on bulk and thin film GaAs. As expected, the yield change far from the bandgap is quite large for bulk material. The bias is applied to the bottom (non-activated) side of the cathode so that the accelerating potential as measured with respect to the ground potential chamber walls is unchanged for different front-to-back cathode bias values. The size of the bias to cause an appreciable effect is rather small reflecting the low drift kinetic energy in the zero bias case.

  8. First fission mass yield measurements using SPIDER at LANSCE

    NASA Astrophysics Data System (ADS)

    Meierbachtol, Krista; Tovesson, Fredrik; Arnold, Charles; Devlin, Matt; Bredeweg, Todd; Jandel, Marian; Jorgenson, Justin; Nelson, Ron; White, Morgan; Shields, Dan; Blakeley, Rick; Hecht, Adam

    2014-09-01

    Robust measurements of fission product properties, including mass yields, are important for advancing our understanding of the complex fission process and as improved inputs to calculation and simulation efforts in nuclear applications. The SPIDER detector, located at the Los Alamos Neutron Science Center (LANSCE), is a recently developed mass spectrometer aimed at measuring fission product mass yields with high resolution as a function of incident neutron energy and product mass, charge, and kinetic energy. The prototype SPIDER detector has been assembled, tested, installed at the Lujan Center at LANSCE, and taken initial thermal neutron induced measurements. The first results of mass yields for spontaneous fission of 252Cf and thermal neutron-induced fission of 235U measured with SPIDER will be presented. Ongoing upgrades and future plans for SPIDER will also be discussed. This work is in part supported by LANL Laboratory Directed Research and Development Projects 20110037DR and 20120077DR. LA-UR-14-24830.

  9. POLARIZATION AND COMPRESSIBILITY OF OBLIQUE KINETIC ALFVEN WAVES

    SciTech Connect

    Hunana, P.; Goldstein, M. L.; Passot, T.; Sulem, P. L.; Laveder, D.; Zank, G. P.

    2013-04-01

    It is well known that a complete description of the solar wind requires a kinetic description and that, particularly at sub-proton scales, kinetic effects cannot be ignored. It is nevertheless usually assumed that at scales significantly larger than the proton gyroscale r{sub L} , magnetohydrodynamics or its extensions, such as Hall-MHD and two-fluid models with isotropic pressures, provide a satisfactory description of the solar wind. Here we calculate the polarization and magnetic compressibility of oblique kinetic Alfven waves and show that, compared with linear kinetic theory, the isotropic two-fluid description is very compressible, with the largest discrepancy occurring at scales larger than the proton gyroscale. In contrast, introducing anisotropic pressure fluctuations with the usual double-adiabatic (or CGL) equations of state yields compressibility values which are unrealistically low. We also show that both of these classes of fluid models incorrectly describe the electric field polarization. To incorporate linear kinetic effects, we use two versions of the Landau fluid model that include linear Landau damping and finite Larmor radius (FLR) corrections. We show that Landau damping is crucial for correct modeling of magnetic compressibility, and that the anisotropy of pressure fluctuations should not be introduced without taking into account the Landau damping through appropriate heat flux equations. We also show that FLR corrections to all the retained fluid moments appear to be necessary to yield the correct polarization. We conclude that kinetic effects cannot be ignored even for kr{sub L} << 1.

  10. Polarization and Compressibility of Oblique Kinetic Alfvén Waves

    NASA Astrophysics Data System (ADS)

    Hunana, P.; Goldstein, M. L.; Passot, T.; Sulem, P. L.; Laveder, D.; Zank, G. P.

    2013-04-01

    It is well known that a complete description of the solar wind requires a kinetic description and that, particularly at sub-proton scales, kinetic effects cannot be ignored. It is nevertheless usually assumed that at scales significantly larger than the proton gyroscale rL , magnetohydrodynamics or its extensions, such as Hall-MHD and two-fluid models with isotropic pressures, provide a satisfactory description of the solar wind. Here we calculate the polarization and magnetic compressibility of oblique kinetic Alfvén waves and show that, compared with linear kinetic theory, the isotropic two-fluid description is very compressible, with the largest discrepancy occurring at scales larger than the proton gyroscale. In contrast, introducing anisotropic pressure fluctuations with the usual double-adiabatic (or CGL) equations of state yields compressibility values which are unrealistically low. We also show that both of these classes of fluid models incorrectly describe the electric field polarization. To incorporate linear kinetic effects, we use two versions of the Landau fluid model that include linear Landau damping and finite Larmor radius (FLR) corrections. We show that Landau damping is crucial for correct modeling of magnetic compressibility, and that the anisotropy of pressure fluctuations should not be introduced without taking into account the Landau damping through appropriate heat flux equations. We also show that FLR corrections to all the retained fluid moments appear to be necessary to yield the correct polarization. We conclude that kinetic effects cannot be ignored even for krL Lt 1.

  11. Kinetics of uncatalyzed thermochemical sulfate reduction by sulfur-free paraffin

    USGS Publications Warehouse

    Zhang, Tongwei; Ellis, Geoffrey S.; Ma, Qisheng; Amrani, Alon; Tang, Yongchun

    2012-01-01

    To determine kinetic parameters of sulfate reduction by hydrocarbons (HC) without the initial presence of low valence sulfur, we carried out a series of isothermal gold-tube hydrous-pyrolysis experiments at 320, 340, and 360 °C under a constant confined pressure of 24.1 MPa. The reactants used consisted of saturated HC (sulfur-free) and CaSO4 in an aqueous solution buffered to three different pH conditions without the addition of elemental sulfur (S8) or H2S as initiators. H2S produced in the course of reaction was proportional to the extent of the reduction of CaSO4 that was initially the only sulfur-containing reactant. Our results show that the in situ pH of the aqueous solution (herein, in situ pH refers to the calculated pH value of the aqueous solution at certain experimental conditions) can significantly affect the rate of the thermochemical sulfate reduction (TSR) reaction. A substantial increase in the TSR reaction rate was observed with a decrease in the in situ pH. Our experimental results show that uncatalyzed TSR is a first-order reaction. The temperature dependence of experimentally measured H2S yields from sulfate reduction was fit with the Arrhenius equation. The determined activation energy for HC (sulfur-free) reacting with View the MathML sourceHSO4? in our experiments is 246.6 kJ/mol at pH values ranging from 3.0 to 3.5, which is slightly higher than the theoretical value of 227.0 kJ/mol using ab initio quantum chemical calculations on a similar reaction. Although the availability of reactive sulfate significantly affects the rate of reaction, a consistent rate constant was determined by accounting for the HSO4? ion concentration. Our experimental and theoretical approach to the determination of the kinetics of TSR is further validated by a reevaluation of several published experimental TSR datasets without the initial presence of native sulfur or H2S. When the effect of reactive sulfate concentration is appropriately accounted for, the published experimental TSR data yield kinetic parameters that are consistent with our values. Assuming MgSO4 contact-ion-pair ([MgSO4]CIP) as the reactive form of sulfate in petroleum reservoir formation waters, a simple extrapolation of our experimentally derived HSO4? reduction kinetics as a proxy for [MgSO4]CIP to geologically reasonable conditions predicts onset temperatures (130–140 °C) that are comparable to those observed in nature.

  12. KINETIC MODEL OF FLUORIDE METABOLISM IN THE RABBIT

    EPA Science Inventory

    Sodium fluoride, in small doses, was given to rabbits intravenously or by stomach tube, and the appearance of fluoride in the blood and urine was then monitored frequently over the next 10 hours. Compartmental analysis of the data yielded a kinetic model of fluoride metabolism co...

  13. FY2014 Parameters for Gold Ions in Booster, AGS, and RHIC

    SciTech Connect

    Gardner, C. J.

    2014-07-30

    The nominal parameters for gold ions in Booster, AGS, and RHIC are given for the FY2014 running period. The parameters are worked out using various formulas to derive mass, kinetic parameters, RF parameters, ring parameters, etc.. The ''standard setup'', ''medium-energy'', and ''low-energy'' parameters are summarized in separate sections.

  14. Maximizing the Exoearth Candidate Yield from a Future Direct Imaging Mission

    NASA Technical Reports Server (NTRS)

    Stark, Christopher C.; Roberge, Aki; Mandell, Avi; Robinson, Tyler D.

    2014-01-01

    ExoEarth yield is a critical science metric for future exoplanet imaging missions. Here we estimate exoEarth candidate yield using single visit completeness for a variety of mission design and astrophysical parameters. We review the methods used in previous yield calculations and show that the method choice can significantly impact yield estimates as well as how the yield responds to mission parameters. We introduce a method, called Altruistic Yield Optimization, that optimizes the target list and exposure times to maximize mission yield, adapts maximally to changes in mission parameters, and increases exoEarth candidate yield by up to 100% compared to previous methods. We use Altruistic Yield Optimization to estimate exoEarth candidate yield for a large suite of mission and astrophysical parameters using single visit completeness. We find that exoEarth candidate yield is most sensitive to telescope diameter, followed by coronagraph inner working angle, followed by coronagraph contrast, and finally coronagraph contrast noise floor. We find a surprisingly weak dependence of exoEarth candidate yield on exozodi level. Additionally, we provide a quantitative approach to defining a yield goal for future exoEarth-imaging missions.

  15. Maximizing the ExoEarth candidate yield from a future direct imaging mission

    SciTech Connect

    Stark, Christopher C.; Roberge, Aki; Mandell, Avi; Robinson, Tyler D.

    2014-11-10

    ExoEarth yield is a critical science metric for future exoplanet imaging missions. Here we estimate exoEarth candidate yield using single visit completeness for a variety of mission design and astrophysical parameters. We review the methods used in previous yield calculations and show that the method choice can significantly impact yield estimates as well as how the yield responds to mission parameters. We introduce a method, called Altruistic Yield Optimization, that optimizes the target list and exposure times to maximize mission yield, adapts maximally to changes in mission parameters, and increases exoEarth candidate yield by up to 100% compared to previous methods. We use Altruistic Yield Optimization to estimate exoEarth candidate yield for a large suite of mission and astrophysical parameters using single visit completeness. We find that exoEarth candidate yield is most sensitive to telescope diameter, followed by coronagraph inner working angle, followed by coronagraph contrast, and finally coronagraph contrast noise floor. We find a surprisingly weak dependence of exoEarth candidate yield on exozodi level. Additionally, we provide a quantitative approach to defining a yield goal for future exoEarth-imaging missions.

  16. Purification and kinetic characterization of polyphenol oxidase from Barbados cherry (Malpighia glabra L.).

    PubMed

    Kumar, V B Anil; Mohan, T C Kishor; Murugan, K

    2008-09-15

    Polyphenol oxidase (PPO) of Barbados cherry was extracted and purified through ammonium sulfate precipitation, gel filtration, and affinity chromatography. The purification factor for PPO was 60% with 8.3% yield. The enzyme was characterized for thermal stability, pH and kinetic parameters. The molecular mass of PPO was approximately the sum of 52 and 38kDa estimated by SDS-PAGE. The purity was checked by native PAGE, showing a single prominent band. The optimum pH was 7.2. The enzyme had a temperature optimum at 40°C and was relatively stable at 60°C, with 55% loss of activity. Sodium diethyl dithiocarbamate (SDDC), l-cysteine and ascorbate significantly inhibited PPO activity. 4-Methyl catechol and catechol were found to be efficient diphenolic substrates for cherry PPO, considering the Vmax/Km ratio. The data obtained in this study may help to understand cherry fruit browning. PMID:26049223

  17. Herschel-Bulkley rheology from lattice kinetic theory of soft-glassy materials

    E-print Network

    R. Benzi; M. Bernaschi; M. Sbragaglia; S. Succi

    2010-04-28

    We provide a clear evidence that a two species mesoscopic Lattice Boltzmann (LB) model with competing short-range attractive and mid-range repulsive interactions supports emergent Herschel-Bulkley (HB) rheology, i.e. a power-law dependence of the shear-stress as a function of the strain rate, beyond a given yield-stress threshold. This kinetic formulation supports a seamless transition from flowing to non-flowing behaviour, through a smooth tuning of the parameters governing the mesoscopic interactions between the two species. The present model may become a valuable computational tool for the investigation of the rheology of soft-glassy materials on scales of experimental interest.

  18. Isotopic Yields and Isoscaling in Fission

    E-print Network

    W. A. Friedman

    2003-11-21

    A simple model is proposed to examine the isotopic yields of the fragments from binary fission. For a given charge partition the peaks and widths in the isotope distributions are studied both with the liquid-drop model and with shell modifications. The basis for isoscaling is also explored. The symmetry energy plays a dominant role in both the distributions and the isoscaling behavior. A systematic increase in the isoscaling parameter, $\\alpha$, with the proton number of the fragment element is predicted in the context of the liquid-drop model. Deviations arising from shell corrections are explored.

  19. Competing solutions of Landau’s kinetic equation for zero sound and first sound in thin arbitrarily polarized Fermi-liquid films

    NASA Astrophysics Data System (ADS)

    Li, David Z.; Anderson, R. H.; Miller, M. D.; Crowell, Ethan

    2014-07-01

    We examine in detail the method introduced by Sanchez-Castro, Bedell, and Wiegers (SBW) to solve Landau’s linearized kinetic equation, and compare it with the well-known standard method introduced by Abrikosov and Khalatnikov (AK). The SBW approach, hardly known, differs from AK in the way that moments are taken with respect to the angular functions of the Fourier transformed kinetic equation. We compare the SBW and AK solutions for zero-sound and first-sound propagation speeds and attenuation both analytically in the zero and full polarization limits, and numerically at arbitrary polarization using Landau parameters appropriate for thin 3He films. We find that the lesser known method not only yields results in close agreement with the standard method, but in most cases does so with far less analytic and computational effort.

  20. Multiple alternative substrate kinetics.

    PubMed

    Anderson, Vernon E

    2015-11-01

    The specificity of enzymes for their respective substrates has been a focal point of enzyme kinetics since the initial characterization of metabolic chemistry. Various processes to quantify an enzyme's specificity using kinetics have been utilized over the decades. Fersht's definition of the ratio kcat/Km for two different substrates as the "specificity constant" (ref [7]), based on the premise that the important specificity existed when the substrates were competing in the same reaction, has become a consensus standard for enzymes obeying Michaelis-Menten kinetics. The expansion of the theory for the determination of the relative specificity constants for a very large number of competing substrates, e.g. those present in a combinatorial library, in a single reaction mixture has been developed in this contribution. The ratio of kcat/Km for isotopologs has also become a standard in mechanistic enzymology where kinetic isotope effects have been measured by the development of internal competition experiments with extreme precision. This contribution extends the theory of kinetic isotope effects to internal competition between three isotopologs present at non-tracer concentrations in the same reaction mix. This article is part of a special issue titled: Enzyme Transition States from Theory and Experiment. PMID:26051088

  1. A data-oriented semi-process model for evaluating the yields of major crops at global scale (PRYSBI-2)

    NASA Astrophysics Data System (ADS)

    Sakurai, G.; Iizumi, T.; Yokozawa, M.

    2013-12-01

    Demand for major cereal crops will double by 2050 compared to the amount in 2005 due to the population growth, dietary change, and increase in biofuel use. This requires substantial efforts to increase crop yields under changing climate, water resources, and land use. In order to explore possible paths to meet the supply target, global crop modeling is a useful approach. To that end, we developed a process-based large-area crop model (called PRYSBIE-2) for major crops, including soybean. This model consisted of the enzyme kinetics model for photosynthetic carbon assimilation and soil water balance model from SWAT. The parameter values on water stress, nitrogen stress were calibrated over global croplands from one grid cell to another (1.125° in latitude and longitude) using Markov Chain Monte Carlo (MCMC) methods. The historical yield data collected from major crop-producing countries on a state, county, or prefecture scale were used as the calibration data. Then we obtained the model parameter sets that can give high correlation coefficients between the historical and estimated yield time series for the period 1980-2006. We analyzed the impacts on soybean yields in the three top soybean-producing countries (the USA, China, and Brazil) associated with the changes in climate and CO2 during the period 1980-2006, using the model. We found that, given the simulated yields and reported harvested areas, the estimated average net benefit from the CO2 fertilization effect (with one standard deviation) in the USA, Brazil, and China in the years was 42.70×32.52 Mt, 35.30×28.55 Mt, and 12.52×15.11 Mt, respectively. Results suggest that the CO2-induced increases in soybean yields in the USA and China likely offset a part of the negative impacts on yields due to the historical temperature rise. In contrast, the net effect of the past change in climate and CO2 in Brazil appeared to be positive. This study demonstrates a quantitative estimation of the impacts of the changes in climate and CO2 during the past few decades using a new global crop model.

  2. Kinetic energy budgets in areas of intense convection

    NASA Technical Reports Server (NTRS)

    Fuelberg, H. E.; Berecek, E. M.; Ebel, D. M.; Jedlovec, G. J.

    1980-01-01

    A kinetic energy budget analysis of the AVE-SESAME 1 period which coincided with the deadly Red River Valley tornado outbreak is presented. Horizontal flux convergence was found to be the major kinetic energy source to the region, while cross contour destruction was the major sink. Kinetic energy transformations were dominated by processes related to strong jet intrusion into the severe storm area. A kinetic energy budget of the AVE 6 period also is presented. The effects of inherent rawinsonde data errors on widely used basic kinematic parameters, including velocity divergence, vorticity advection, and kinematic vertical motion are described. In addition, an error analysis was performed in terms of the kinetic energy budget equation. Results obtained from downward integration of the continuity equation to obtain kinematic values of vertical motion are described. This alternate procedure shows promising results in severe storm situations.

  3. Gravitationally Induced Particle Production: Thermodynamics and Kinetic Theory

    E-print Network

    J. A. S. Lima; I. P. Baranov

    2014-11-24

    A relativistic kinetic description for the irreversible thermodynamic process of gravitationally induced particle production is proposed in the context of an expanding Friedmann-Robertson-Walker (FRW) geometry. We show that the covariant thermodynamic treatment referred to as "adiabatic" particle production provoked by the cosmic time-varying gravitational field has a consistent kinetic counterpart. The variation of the distribution function is associated to a non-collisional kinetic term of quantum-gravitational origin which is proportional to the ratio $\\Gamma/H$, where $\\Gamma$ is the gravitational particle production rate and H is the Hubble parameter. For $\\Gamma kinetically derived for massive and massless particles. The present approach points to the possibility of an exact (semi-classical) quantum-gravitational kinetic treatment by incorporating back-reaction effects in the cosmic background.

  4. Comparison of petroleum generation kinetics by isothermal hydrous and nonisothermal open-system pyrolysis

    USGS Publications Warehouse

    Lewan, M.D.; Ruble, T.E.

    2002-01-01

    This study compares kinetic parameters determined by open-system pyrolysis and hydrous pyrolysis using aliquots of source rocks containing different kerogen types. Kinetic parameters derived from these two pyrolysis methods not only differ in the conditions employed and products generated, but also in the derivation of the kinetic parameters (i.e., isothermal linear regression and non-isothermal nonlinear regression). Results of this comparative study show that there is no correlation between kinetic parameters derived from hydrous pyrolysis and open-system pyrolysis. Hydrous-pyrolysis kinetic parameters determine narrow oil windows that occur over a wide range of temperatures and depths depending in part on the organic-sulfur content of the original kerogen. Conversely, open-system kinetic parameters determine broad oil windows that show no significant differences with kerogen types or their organic-sulfur contents. Comparisons of the kinetic parameters in a hypothetical thermal-burial history (2.5 ??C/my) show open-system kinetic parameters significantly underestimate the extent and timing of oil generation for Type-US kerogen and significantly overestimate the extent and timing of petroleum formation for Type-I kerogen compared to hydrous pyrolysis kinetic parameters. These hypothetical differences determined by the kinetic parameters are supported by natural thermal-burial histories for the Naokelekan source rock (Type-IIS kerogen) in the Zagros basin of Iraq and for the Green River Formation (Type-I kerogen) in the Uinta basin of Utah. Differences in extent and timing of oil generation determined by open-system pyrolysis and hydrous pyrolysis can be attributed to the former not adequately simulating natural oil generation conditions, products, and mechanisms.

  5. A LQ-based kinetic model formulation for exploring dynamics of treatment response of tumours in patients.

    PubMed

    Scheidegger, Stephan; Lutters, Gerd; Bodis, Stephan

    2011-09-01

    A kinetic bio-mathematical, linear-quadratic (LQ) based model description for clonogenic survival is presented. In contrast to widely used formulations of models, a dynamic approach based on ordinary differential equations for coupling a repair model with a tumour growth model is used to allow analysis of intercellular process dynamics and submodel interference. The purpose of the model formulation is to find a quantitative framework for investigation of tumour response to radiotherapy in vivo. It is not the intention of the proposed model formulation to give a mechanistic explanation for cellular repair processes. This article addresses bio-mathematical aspects of the simplistic kinetic approach used for description of repair. The model formulation includes processes for cellular death, repopulation and cellular repair. The explicit use of the population size in the model facilitates the coupling of the sub-models including aspects of tissue dynamics (competition, oxygenation). The cellular repair is summarized by using a kinetic model for a dose equivalent ? describing production and elimination of sublethal lesions. This dose equivalent replaces the absorbed dose used in the common LQ- model. Therefore, this approach is called the ?- LQ- formulation. A comparison with two kinetic radiobiological models (the LPL model of Curtis and the compartmental model of Carlone) is carried out. The resulting differential equations are solved by numerical integration using a Runge-Kutta algorithm. The comparison reveals a good agreement between the ?- LQ- formulation and the models of Curtis and Carlone under certain, defined conditions: The proposed formulation leads to results which are identical to the model of Carlone over a wide range of investigated biological parameters and different fractionation schemes when using first order repair kinetics. The comparison with experimental data and the LPL- model of Curtis shows a good agreement of the ?- LQ- formulation using second order repair kinetics over a wide range of dose rate. Over a limited range, the use of second order repair in the ?- LQ- formulation approximates the same dose rate dependency of clonogenic survival using only one additional parameter to those of the common LQ model. Within the investigated range of parameters, the presented ?-LQ- formulation may be used to describe the in-vivo tumour response to radiation. The influence of repopulation, oxygenation and other aspects of tissue dynamics may override the differences between the intrinsic radiosensitivity yielded by each of the models. The proposed model formulation can be extended with additional static and dynamic tissue behaviours. This may be useful for the understanding of the reaction of tissues to heat (hyperthermia) or combined anti-cancer treatments (chemo-radiotherapy). PMID:21237624

  6. Grapevine canopy reflectance and yield

    NASA Technical Reports Server (NTRS)

    Minden, K. A.; Philipson, W. R.

    1982-01-01

    Field spectroradiometric and airborne multispectral scanner data were applied in a study of Concord grapevines. Spectroradiometric measurements of 18 experimental vines were collected on three dates during one growing season. Spectral reflectance, determined at 30 intervals from 0.4 to 1.1 microns, was correlated with vine yield, pruning weight, clusters/vine, and nitrogen input. One date of airborne multispectral scanner data (11 channels) was collected over commercial vineyards, and the average radiance values for eight vineyard sections were correlated with the corresponding average yields. Although some correlations were significant, they were inadequate for developing a reliable yield prediction model.

  7. Kinetic compensation effect in thermal desorption

    NASA Astrophysics Data System (ADS)

    Zuniga-Hansen, Nayeli; Silbert, Leonardo E.; Calbi, Mercedes

    The parameters which characterize the rates of many thermally activated processes are often extracted using the Arrhenius equation. A series of closely related thermally activated processes exhibit systematic variations in the energies of activation, Ea, and preexponential factor, ?, in response to a perturbation, which leads to the concept of `kinetic compensation', such that the different parameters in the Arrhenius equation balance each other out thereby leading to an implicitly assumed constant rate. However, the compensation effect has not been generally demonstrated and its origins are not completely understood. Using kinetic Monte Carlo simulations on a model interface, we explore how site-adsorbate and adsorbate-adsorbate interactions, and surface structural changes influence surface coverage and the kinetic parameters during a typical temperature programmed desorption process. We find that the concept of the compensation effect for interacting species breaks down and the time characterizing desorption increases with increasing interaction strength due to an increase in the effective activation energy. At the `molecular' level the changes are the result of enhanced site correlations with increasing adsorbate interaction strength suppressing the onset of desorption.

  8. Supplementary Materials for Reckoning wheat yield trends

    E-print Network

    Huybers, Peter

    Supplementary Materials for Reckoning wheat yield trends Marena Lin and Peter Huybers Department decomposition of wheat yields 5 4.1 U.S. county-level wheat yields . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6 4.2 French departmental wheat yields . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6 5

  9. Kinetic theory viscosity

    E-print Network

    C. J. Clarke; J. E. Pringle

    2004-03-17

    We show how the viscous evolution of Keplerian accretion discs can be understood in terms of simple kinetic theory. Although standard physics texts give a simple derivation of momentum transfer in a linear shear flow using kinetic theory, many authors, as detailed by Hayashi & Matsuda 2001, have had difficulties applying the same considerations to a circular shear flow. We show here how this may be done, and note that the essential ingredients are to take proper account of, first, isotropy locally in the frame of the fluid and, second, the geometry of the mean flow.

  10. Charged colloidal heteroaggregation kinetics

    NASA Astrophysics Data System (ADS)

    Puertas, A. M.; Fernández-Barbero, A.; De Las Nieves, F. J.

    2001-01-01

    A model for describing heteroaggregation kinetics has been developed and tested with experiments in a colloidal system composed of positively and negatively charged particles. At first order, the model reduces to the classical Hogg, Healy, and Fuerstenau approximation. Static light scattering was used to monitor the aggregations. The dependence of the initial aggregation rate on the relative particle fraction and on the surface charges was studied and compared with the theoretical predictions. The experimental results indicated that first-order approximation cannot be used to describe the kinetics. However, good agreement was found when second order was introduced in the theoretical model.

  11. Kinetics of nanobubble generation around overheated nanoparticles.

    PubMed

    Lombard, Julien; Biben, Thierry; Merabia, Samy

    2014-03-14

    We report on the formation and growth of nanobubbles around laser-heated gold nanoparticles in water. Using a hydrodynamic free-energy model, we show that the temporal evolution of the nanobubble radius is asymmetrical: the expansion is found to be adiabatic, while the collapse is best described by an isothermal evolution. We unveil the critical role of the thermal boundary resistance in the kinetics of formation of the nanobubbles: close to the vapor production threshold, nanobubble generation is very long, yielding optimal conditions for laser-energy conversion. Furthermore, the long appearance times allow nanoparticle melting before the onset of vaporization. PMID:24679307

  12. Rhealogical studies of tautomerization kinetics in supercooled glibenclamide drug

    SciTech Connect

    Wojnarowska, S; Wang, Yangyang; Sokolov, Alexei P; Paluch, Marian W

    2012-01-01

    Rheological measurements have been applied to study the tautomerization of the pharmaceutically active compound glibenclamide. The rate constant and activation energy of the imidic-acid-amide transformation have been successfully determined by monitoring the evolution of shear viscosity. The kinetic parameters from rheological measurements agree reasonably well with the data previously obtained from dielectric spectroscopy. The present Brief Report demonstrates that rheology can provide a fast and precise way to characterize the reaction kinetics of tautomerization.

  13. HCCI in a CFR engine: experiments and detailed kinetic modeling

    SciTech Connect

    Flowers, D; Aceves, S; Smith, R; Torres, J; Girard, J; Dibble, R

    1999-11-05

    Single cylinder engine experiments and chemical kinetic modeling have been performed to study the effect of variations in fuel, equivalence ratio, and intake charge temperature on the start of combustion and the heat release rate. Neat propane and a fuel blend of 15% dimethyl-ether in methane have been studied. The results demonstrate the role of these parameters on the start of combustion, efficiency, imep, and emissions. Single zone kinetic modeling results show the trends consistent with the experimental results.

  14. Covariance Matrix Evaluations for Independent Mass Fission Yields

    NASA Astrophysics Data System (ADS)

    Terranova, N.; Serot, O.; Archier, P.; De Saint Jean, C.; Sumini, M.

    2015-01-01

    Recent needs for more accurate fission product yields include covariance information to allow improved uncertainty estimations of the parameters used by design codes. The aim of this work is to investigate the possibility to generate more reliable and complete uncertainty information on independent mass fission yields. Mass yields covariances are estimated through a convolution between the multi-Gaussian empirical model based on Brosa's fission modes, which describe the pre-neutron mass yields, and the average prompt neutron multiplicity curve. The covariance generation task has been approached using the Bayesian generalized least squared method through the CONRAD code. Preliminary results on mass yields variance-covariance matrix will be presented and discussed from physical grounds in the case of 235U(nth, f) and 239Pu(nth, f) reactions.

  15. Brazil wheat yield covariance model

    NASA Technical Reports Server (NTRS)

    Callis, S. L.; Sakamoto, C.

    1984-01-01

    A model based on multiple regression was developed to estimate wheat yields for the wheat growing states of Rio Grande do Sul, Parana, and Santa Catarina in Brazil. The meteorological data of these three states were pooled and the years 1972 to 1979 were used to develop the model since there was no technological trend in the yields during these years. Predictor variables were derived from monthly total precipitation, average monthly mean temperature, and average monthly maximum temperature.

  16. End-growth/evaporation living polymerization kinetics revisited

    NASA Astrophysics Data System (ADS)

    Semenov, A. N.; Nyrkova, I. A.

    2011-03-01

    End-growth/evaporation kinetics in living polymer systems with "association-ready" free unimers (no initiator) is considered theoretically. The study is focused on the systems with long chains (typical aggregation number N ? 1) at long times. A closed system of continuous equations is derived and is applied to study the kinetics of the chain length distribution (CLD) following a jump of a parameter (T-jump) inducing a change of the equilibrium mean chain length from N0 to N. The continuous approach is asymptotically exact for t ? t1, where t1 is the dimer dissociation time. It yields a number of essentially new analytical results concerning the CLD kinetics in some representative regimes. In particular, we obtained the asymptotically exact CLD response (for N ? 1) to a weak T-jump (? = N0/N - 1 ? 1). For arbitrary T-jumps we found that the longest relaxation time tmax = 1/? is always quadratic in N (? is the relaxation rate of the slowest normal mode). More precisely tmax ?4N2 for N0 < 2N and tmax ?NN0/(1 - N/N0) for N0 > 2N. The mean chain length Nn is shown to change significantly during the intermediate slow relaxation stage t1 ? t ? tmax . We predict that N_n(t)-N_n(0)? ?{t} in the intermediate regime for weak (or moderate) T-jumps. For a deep T-quench inducing strong increase of the equilibrium Nn (N ? N0 ? 1), the mean chain length follows a similar law, N_n(t)? ?{t}, while an opposite T-jump (inducing chain shortening, N0 ? N ? 1) leads to a power-law decrease of Nn: Nn(t)?t-1/3. It is also shown that a living polymer system gets strongly polydisperse in the latter regime, the maximum polydispersity index r = Nw/Nn being r* ? 0.77N0/N ? 1. The concentration of free unimers relaxes mainly during the fast process with the characteristic time tf ˜ t1N0/N2. A nonexponential CLD dominated by short chains develops as a result of the fast stage in the case of N0 = 1 and N ? 1. The obtained analytical results are supported, in part, by comparison with numerical results found both previously and in the present paper.

  17. Secondary scintillation yield in pure argon

    NASA Astrophysics Data System (ADS)

    Monteiro, C. M. B.; Lopes, J. A. M.; Veloso, J. F. C. A.; dos Santos, J. M. F.

    2008-10-01

    The secondary scintillation yield is of great importance for simulating double phase detectors, which are used in several of the ongoing Dark Matter search experiments, as well as in the future large-scale particle detectors proposed in Europe as the next generation underground observatories. The argon secondary scintillation yield is studied, at room temperature, as a function of electric field in the gas scintillation gap. A Large Area Avalanche Photodiode (LAAPD) collects the VUV secondary scintillation produced in the gas, as well as the 5.9 keV x-rays directly absorbed in the photodiode. The direct x-rays were used as a reference for the determination of the number of charge carriers produced by the scintillation pulse and, so, the number of photons impinging the LAAPD. A value of 81 photons/kV was obtained for the scintillation amplification parameter, defined as the number of photons produced per drifting electron and per kilovolt. The scintillation yields obtained in this work are in agreement with those obtained by Monte Carlo calculations and a factor of ?10 higher than those determined by the WARP experiment.

  18. Acid soil infertility effects on peanut yields and yield components

    SciTech Connect

    Blamey, F.P.C.

    1983-01-01

    The interpretation of soil amelioration experiments with peanuts is made difficult by the unpredictibility of the crop and by the many factors altered when ameliorating acid soils. The present study was conducted to investigate the effects of lime and gypsum applications on peanut kernel yield via the three first order yield components, pods per ha, kernels per pod, and kernel mass. On an acid medium sandy loam soil (typic Plinthustult), liming resulted in a highly significant kernel yield increase of 117% whereas gypsum applications were of no significant benefit. As indicated by path coefficient analysis, an increase in the number of pods per ha was markedly more important in increasing yield than an increase in either the number of kernels per pod or kernel mass. Furthermore, exch. Al was found to be particularly detrimental to pod number. It was postulated that poor peanut yields resulting from acid soil infertility were mainly due to the depressive effect of exch. Al on pod number. Exch. Ca appeared to play a secondary role by ameliorating the adverse effects of exch. Al.

  19. Kinetic tetrazolium microtiter assay

    NASA Technical Reports Server (NTRS)

    Pierson, Duane L. (inventor); Stowe, Raymond P. (inventor); Koeing, David W. (inventor)

    1992-01-01

    A method for conducting an in vitro cell assay using a tetrazolium indicator is disclosed. The indicator includes a nonionic detergent which solubilizes a tetrazolium reduction product in vitro and has low toxicity for the cells. The incubation of test cells in the presence of zolium bromide and octoxynol (TRITON X-100) permits kinetics of the cell metabolism to be determined.

  20. Kinetics and Catalysis Demonstrations.

    ERIC Educational Resources Information Center

    Falconer, John L.; Britten, Jerald A.

    1984-01-01

    Eleven videotaped kinetics and catalysis demonstrations are described. Demonstrations include the clock reaction, oscillating reaction, hydrogen oxidation in air, hydrogen-oxygen explosion, acid-base properties of solids, high- and low-temperature zeolite reactivity, copper catalysis of ammonia oxidation and sodium peroxide decomposition, ammonia…

  1. Kinetics of Hydrogen Abstraction Reactions from Polycyclic Aromatic Hydrocarbons by H Angela Violi,*, Thanh N. Truong, and Adel F. Sarofim

    E-print Network

    Truong, Thanh N.

    Kinetics of Hydrogen Abstraction Reactions from Polycyclic Aromatic Hydrocarbons by H Atoms Angela of being a major intermediate leading to soot formation, and existing kinetic models give poor predictions is the availability of accurate kinetic parameters. Hence, an accurate analysis of the reaction rates is required

  2. Tracer kinetic modelling for DCE-MRI quantification of subtle blood-brain barrier permeability.

    PubMed

    Heye, Anna K; Thrippleton, Michael J; Armitage, Paul A; Valdés Hernández, Maria Del C; Makin, Stephen D; Glatz, Andreas; Sakka, Eleni; Wardlaw, Joanna M

    2016-01-15

    There is evidence that subtle breakdown of the blood-brain barrier (BBB) is a pathophysiological component of several diseases, including cerebral small vessel disease and some dementias. Dynamic contrast-enhanced MRI (DCE-MRI) combined with tracer kinetic modelling is widely used for assessing permeability and perfusion in brain tumours and body tissues where contrast agents readily accumulate in the extracellular space. However, in diseases where leakage is subtle, the optimal approach for measuring BBB integrity is likely to differ since the magnitude and rate of enhancement caused by leakage are extremely low; several methods have been reported in the literature, yielding a wide range of parameters even in healthy subjects. We hypothesised that the Patlak model is a suitable approach for measuring low-level BBB permeability with low temporal resolution and high spatial resolution and brain coverage, and that normal levels of scanner instability would influence permeability measurements. DCE-MRI was performed in a cohort of mild stroke patients (n=201) with a range of cerebral small vessel disease severity. We fitted these data to a set of nested tracer kinetic models, ranking their performance according to the Akaike information criterion. To assess the influence of scanner drift, we scanned 15 healthy volunteers that underwent a "sham" DCE-MRI procedure without administration of contrast agent. Numerical simulations were performed to investigate model validity and the effect of scanner drift. The Patlak model was found to be most appropriate for fitting low-permeability data, and the simulations showed vp and K(Trans) estimates to be reasonably robust to the model assumptions. However, signal drift (measured at approximately 0.1% per minute and comparable to literature reports in other settings) led to systematic errors in calculated tracer kinetic parameters, particularly at low permeabilities. Our findings justify the growing use of the Patlak model in low-permeability states, which has the potential to provide valuable information regarding BBB integrity in a range of diseases. However, absolute values of the resulting tracer kinetic parameters should be interpreted with extreme caution, and the size and influence of signal drift should be measured where possible. PMID:26477653

  3. Kinetics of coal pyrolysis and devolatilization

    SciTech Connect

    Not Available

    1987-01-01

    An experimentally based, conceptual model of the devolatilization of a HV bituminous coal is outlined in this report. This model contends that the relative dominance of a process type-chemical kinetic, heat transport, mass transport -- varies with the extent of reaction for a given set of heating conditions and coal type and with experimental conditions for a given coal type and extent of reaction. The rate of devolatilization mass loss process is dominated initially by heat transfer processes, then coupled mass transfer and chemical kinetics, and finally by chemical processes alone. However, the chemical composition of the initial tars are determined primarily by the chemical characteristics of the parent coal. Chemically controlled gas phase reactions of the initial tars and coupled mass transfer and chemically controlled reactions of heavy tars determine the bulk of the light gas yields. For a HV bituminous coal this conceptual model serves to quantify the Two-Component Hypothesis'' of volatiles evolution. The model postulates that the overall rates of coal devolatilization should vary with coal type insofar as the characteristics of the parent coal determine the potential tar yield and the chemical characteristics of the initial tars. Experimental evidence indicates chemical characteristics and yields of primary'' tars vary significantly with coal type. Consequently, the conceptual model would indicate a shift from transport to chemical dominance of rate processes with variation in coal type. Using the conceptual model, United Technologies Research Center has been able to correlate initial mass loss with a heat transfer index for a wide range of conditions for high tar yielding coals. 33 refs., 30 figs., 6 tabs.

  4. LLNL Chemical Kinetics Modeling Group

    SciTech Connect

    Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J

    2008-09-24

    The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

  5. Corn yield prediction using climatology

    SciTech Connect

    Duchon, C.E.

    1986-05-01

    A method is developed to predict corn yield during the growing season using a plant process model (CERES-Maize), current weather data and climatological data. The procedure is to place the current year's daily weather (temperature and precipitation) into the model up to the time the yield prediction is to be made and sequences of historical data (one sequence per year) after that time until the end of the growing season to produce yield estimates. The mean of the distribution of yield estimates is taken as the prediction. The variance associated with a prediction is relatively constant until the time of tassel initiation and then decreases toward zero as the season progresses. As a consequence, perfect weather forecasts reach their peak value between the beginning of ear growth and the beginning of grain fill. The change in the predicted yield in response to weather as the growing season progresses is discussed for 1983 and 1976 at Peoria, Illinois. Results are given of an attempt to incorporate 30-day Climate Analytic Center outlooks into the predictive scheme. 21 references, 14 figures, 1 table.

  6. Kinetic equilibrium and relativistic thermodynamics

    E-print Network

    P. Ván

    2011-02-01

    Relativistic thermodynamics is treated from the point of view of kinetic theory. It is shown that the generalized J\\"uttner distribution suggested in [1] is compatible with kinetic equilibrium. The requirement of compatibility of kinetic and thermodynamic equilibrium reveals several generalizations of the Gibbs relation where the velocity field is an independent thermodynamic variable.

  7. An Introductory Level Kinetics Investigation.

    ERIC Educational Resources Information Center

    McGarvey, J. E. B.; Knipe, A. C.

    1980-01-01

    Provides a list of the reactions commonly used for introductory kinetics studies. These reactions illustrate the kinetics concepts of rate law, rate constant, and reaction order. Describes a kinetic study of the hydrolysis of 3-bromo-3-phenylpropanoic acid which offers many educational advantages. (CS)

  8. Yielding Mechanisms in Associating Telechelic Protein Hydrogels

    NASA Astrophysics Data System (ADS)

    Olsen, B. D.; Tirrell, D. A.; Kornfield, J. A.; Wang, Z.-G.

    2010-03-01

    Understanding the flow of associating polymer hydrogels is important for the development of injectable biomaterials. We have investigated gels formed by telechelic proteins composed of associating coiled-coil endblocks linked by a polyelectrolyte midblock domain under both large amplitude oscillatory shear (LAOS) and capillary flow. These materials show dramatic yielding behavior that allows them to flow under low shear stress. Upon cessation of shear they almost instantaneously heal to full elastic strength, making them promising as injectable hydrogels. LAOS experiments and flow visualization suggest that these properties occur due to the formation of shear bands at high strain rates. A theoretical treatment of molecular configuration during flow has been developed to understand the molecular origins of the rheological response in telechelic polymer gels. Polymer chains are modeled as dumbbells with a FENE chain potential, and force-activated kinetics of endgroup attachment and detachment that satisfy detailed balance are used to model the transition of chains between looped, bridged, and detached chain configurations.

  9. DEVELOPMENT OF A KINETIC MODEL OF BOEHMITE DISSOLUTION IN CAUSTIC SOLUTIONS APPLIED TO OPTIMIZE HANFORD WASTE PROCESSING

    SciTech Connect

    DISSELKAMP RS

    2011-01-06

    Boehmite (e.g., aluminum oxyhydroxide) is a major non-radioactive component in Hanford and Savannah River nuclear tank waste sludge. Boehmite dissolution from sludge using caustic at elevated temperatures is being planned at Hanford to minimize the mass of material disposed of as high-level waste (HLW) during operation of the Waste Treatment Plant (WTP). To more thoroughly understand the chemistry of this dissolution process, we have developed an empirical kinetic model for aluminate production due to boehmite dissolution. Application of this model to Hanford tank wastes would allow predictability and optimization of the caustic leaching of aluminum solids, potentially yielding significant improvements to overall processing time, disposal cost, and schedule. This report presents an empirical kinetic model that can be used to estimate the aluminate production from the leaching of boehmite in Hanford waste as a function of the following parameters: (1) hydroxide concentration; (2) temperature; (3) specific surface area of boehmite; (4) initial soluble aluminate plus gibbsite present in waste; (5) concentration of boehmite in the waste; and (6) (pre-fit) Arrhenius kinetic parameters. The model was fit to laboratory, non-radioactive (e.g. 'simulant boehmite') leaching results, providing best-fit values of the Arrhenius A-factor, A, and apparent activation energy, E{sub A}, of A = 5.0 x 10{sup 12} hour{sup -1} and E{sub A} = 90 kJ/mole. These parameters were then used to predict boehmite leaching behavior observed in previously reported actual waste leaching studies. Acceptable aluminate versus leaching time profiles were predicted for waste leaching data from both Hanford and Savannah River site studies.

  10. Kinetic wave turbulence

    NASA Astrophysics Data System (ADS)

    Eyink, Gregory L.; Shi, Yi-Kang

    2012-09-01

    We consider a general model of Hamiltonian wave systems with triple resonances, in the standard kinetic limit of a continuum of weakly interacting dispersive waves with random phases. We show in this limit that the leading-order, asymptotically valid dynamical equation for multimode amplitude distributions is not the well-known equation of Peierls (also, Brout & Prigogine and Zaslavskii & Sagdeev), but is instead a reduced equation containing only a subset of the terms in that equation. Our equations are consistent with the Peierls equation in that the additional terms in the latter vanish as inverse powers of volume in the large-box limit. The equations that we derive are the direct analogue of the Boltzmann hierarchy obtained from the BBGKY hierarchy in the low-density limit for gases. We show that the asymptotic multimode equations possess factorized solutions for factorized initial data, which correspond to preservation in time of the property of “random phases & amplitudes”. The factors satisfy the equations for the 1-mode probability density functions (PDFs) previously derived by Choi et al. and Jakobsen & Newell. Analogous to the Klimontovich density in the kinetic theory of gases, we introduce the concepts of the “empirical spectrum” and the “empirical 1-mode PDF”. We show that the factorization of the hierarchy equations implies that these quantities are self-averaging: they satisfy the wave-kinetic closure equations of the spectrum and 1-mode PDF for almost any selection of phases and amplitudes from the initial ensemble. We show that both of these closure equations satisfy an H-theorem for an entropy defined by Boltzmann’s prescription S=kBlogW. We also characterize the general solutions of our multimode distribution equations, for initial conditions with random phases but with no statistical assumptions on the amplitudes. Analogous to a result of Spohn for the Boltzmann hierarchy, these are “super-statistical solutions” that correspond to ensembles of solutions of the wave-kinetic closure equations with random initial conditions or random forces. On the basis of our results, we discuss possible kinetic explanations of intermittency and non-Gaussian statistics in wave turbulence. In particular, we advance the explanation of a “super-turbulence” produced by stochastic or turbulent solutions of the wave kinetic equations themselves.

  11. Kinetic modeling of [{sup 99m}Tc]TRODAT-1: A novel compound for imaging the dopamine transporter

    SciTech Connect

    Kushner, S.A.; McElgin, W.T.; Kung, M.P.

    1997-05-01

    The purpose of this study was to characterize the in vivo binding potential and kinetic rate constants in baboons. A series of three SPECT scans were performed in each of two baboons with a mean bolus injection of 717 {+-} 78 Mbq (19.38 {+-} 2.12 mCi). Dynamic images of the brain were acquired over four hours using a triple-headed camera equipped with fan-beam collimators. Arterial and venous blood compartments were frequently sampled using a peristaltic pump throughout the duration of the study. SPECT images were reconstructed and corrected for attenuation. Regions of interest (ROIs) were placed on the corresponding MRI reference scan to which each functional image was coregistered. Arterial and venous blood samples were corrected for metabolism and converted to units of concentration in the reconstruction domain using experimentally measured calibration factors for the camera. Using analytical solutions to the three-compartment model with the Levenberg-Marquardt minimization technique, each study was individually fit to a kinetic parameter vector. Additionally within each subject the three corresponding studies were fit to a single parameter vector by constraining the binding potential, distribution volume, and dissociation rate constant to improve the identifiability of the convergent solutions. A Monte Carlo simulator provided covariance matrix estimates for parameter vectors. The results showed that [{sup 99m}Tc]TRODAT-1 localized in the basal ganglia. SPECT image analysis of the caudate yielded binding potential values of 2.16 and 2.91 in the first baboon and 3.30, 2.70, and 2.89 in the second baboon. The respective binding potential values for these subjects using the simultaneous fitting technique yielded values of 2.30 and 1.95. Similar values were obtained for the putamen.

  12. Large Area Crop Inventory Experiment (LACIE). Feasibility of assessing crop condition and yield from LANDSAT data

    NASA Technical Reports Server (NTRS)

    1978-01-01

    The author has identified the following significant results. Yield modelling for crop production estimation derived a means of predicting the within-a-year yield and the year-to-year variability of yield over some fixed or randomly located unit of area. Preliminary studies indicated that the requirements for interpreting LANDSAT data for yield may be sufficiently similar to those of signature extension that it is feasible to investigate the automated estimation of production. The concept of an advanced yield model consisting of both spectral and meteorological components was endorsed. Rationale for using meteorological parameters originated from known between season and near harvest dynamics in crop environmental-condition-yield relationships.

  13. An evolutionary yield function based on Barlat 2000 yield function for the superconducting niobium sheet

    SciTech Connect

    Darbandi, Payam; Pourboghrat, Farhang

    2011-08-22

    Superconducting radio frequency (SRF) niobium cavities are widely used in high-energy physics to accelerate particle beams in particle accelerators. The performance of SRF cavities is affected by the microstructure and purity of the niobium sheet, surface quality, geometry, etc. Following optimum strain paths in the forming of these cavities can significantly control these parameters. To select these strain paths, however, information about the mechanical behavior, microstructure, and formability of the niobium sheet is required. In this study the Barlat 2000 yield function has been used as a yield function for high purity niobium. Results from this study showed that, due to intrinsic behavior, it is necessary to evolve the anisotropic coefficients of Barlat's yield function in order to properly model the plastic behavior of the niobium sheet. The accuracy of the newly developed evolutionary yield function was verified by applying it to the modeling of the hydrostatic bulging of the niobium sheet. Also, in a separate attempt crystal plasticity finite element method was use to model the behavior of the polycrystalline niobium sheet with a particular initial texture.

  14. The Air-Fluorescence Yield

    E-print Network

    F. Arqueros; F. Blanco; D. Garcia-Pinto; M. Ortiz; J. Rosado

    2008-07-30

    Detection of the air-fluorescence radiation induced by the charged particles of extensive air showers is a well-established technique for the study of ultra-high energy cosmic rays. Fluorescence telescopes provide a nearly calorimetric measure of the primary energy. Presently the main source of systematic uncertainties comes from our limited accuracy in the fluorescence yield, that is, the number of fluorescence photons emitted per unit of energy deposited in the atmosphere by the shower particles. In this paper the current status of our knowledge on the fluorescence yield both experimental an theoretical will be discussed.

  15. FY2014 Parameters for Helions and Gold Ions in Booster, AGS, and RHIC

    SciTech Connect

    Gardner, C. J.

    2014-08-15

    The nominal parameters for helions (helion is the bound state of two protons and one neutron, the nucleus of a helium-3 atom) and gold ions in Booster, AGS, and RHIC are given for the FY2014 running period. The parameters are found using various formulas to derive mass, helion anomalous g-factor, kinetic parameters, RF parameters, ring parameters, etc..

  16. A mechanistic description of radiation-induced damage to normal tissue and its healing kinetics

    NASA Astrophysics Data System (ADS)

    Hanin, Leonid; Zaider, Marco

    2013-02-01

    We introduce a novel mechanistic model of the yield of tissue damage at the end of radiation treatment and of the subsequent healing kinetics. We find explicit expressions for the total number of functional proliferating cells as well as doomed (functional but non-proliferating) cells as a function of time post treatment. This leads to the possibility of estimating—for any given cohort of patients undergoing radiation therapy—the probability distribution of those kinetic parameters (e.g. proliferation rates) that determine times to injury onset and ensuing resolution. The model is suitable for tissues with simple duplication organization, meaning that functionally competent cells are also responsible for tissue renewal or regeneration following injury. An extension of the model to arbitrary temporal patterns of dose rate is presented. To illustrate the practical utility of the model, as well as its limitations, we apply it to data on the time course of urethral toxicity following fractionated radiation treatment and brachytherapy for prostate cancer.

  17. Pentachlorophenol aerobic removal in a sequential reactor: start-up procedure and kinetic study.

    PubMed

    Angelucci, Domenica Mosca; Tomei, M Concetta

    2015-01-01

    This study has demonstrated the applicability of a simple technology such as the sequencing batch reactor (SBR), operated with suspended biomass, to the aerobic biodegradation of a highly toxic compound, the pentachlorophenol (PCP). An enrichment of a microbial consortium, originated from the biomass of an urban wastewater treatment plant, was performed and 70 days were sufficient to achieve removal efficiencies of ?90% with the compound fed as only carbon and energy source Once completed the start-up period, the SBR was operated with the acclimatized biomass for 60 days at a feed concentration of PCP in the range of 10-20?mg?L(-1). Improved performance was observed at increased influent concentration and the reached removal efficiency for the highest concentrations was stable at values?90%. Kinetic and stoichiometric characterization of the acclimated biomass was performed with biodegradation tests carried out in the bioreactor during the reaction phase. The classical and a modified four-parameter forms of the Haldane equation were applied to model the substrate inhibited kinetics. Both models provided reliable predictions with high correlation coefficients (>0.99). The biomass characterization was completed with the evaluation of the growth yield coefficient, Y (0.075 on chemical oxygen demand base) and endogenous respiration rate, b (0.054?d(-1)). The aerobic SBR, operated in the metabolic mode with a mixed culture, showed superior performance in comparison to continuous systems applied in the same range of PCP influent loads and achieved removal rates are suitable for application. PMID:25514134

  18. Kinetic Tetrazolium Microtiter Assay

    NASA Technical Reports Server (NTRS)

    Pierson, Duane L.; Stowe, Raymond; Koenig, David

    1993-01-01

    Kinetic tetrazolium microtiter assay (KTMA) involves use of tetrazolium salts and Triton X-100 (or equivalent), nontoxic, in vitro color developer solubilizing colored metabolite formazan without injuring or killing metabolizing cells. Provides for continuous measurement of metabolism and makes possible to determine rate of action of antimicrobial agent in real time as well as determines effective inhibitory concentrations. Used to monitor growth after addition of stimulatory compounds. Provides for kinetic determination of efficacy of biocide, greatly increasing reliability and precision of results. Also used to determine relative effectiveness of antimicrobial agent as function of time. Capability of generating results on day of test extremely important in treatment of water and waste, disinfection of hospital rooms, and in pharmaceutical, agricultural, and food-processing industries. Assay also used in many aspects of cell biology.

  19. Kinetic Actviation Relaxation Technique

    E-print Network

    Béland, Laurent Karim; El-Mellouhi, Fedwa; Joly, Jean-François; Mousseau, Normand

    2011-01-01

    We present a detailed description of the kinetic Activation-Relaxation Technique (k-ART), an off-lattice, self-learning kinetic Monte Carlo algorithm with on-the-fly event search. Combining a topological classification for local environments and event generation with ART nouveau, an efficient unbiased sampling method for finding transition states, k-ART can be applied to complex materials with atoms in off-lattice positions or with elastic deformations that cannot be handled with standard KMC approaches. In addition to presenting the various elements of the algorithm, we demonstrate the general character of k-ART by applying the algorithm to three challenging systems: self-defect annihilation in c-Si, self-interstitial diffusion in Fe and structural relaxation in amorphous silicon.

  20. Running kinetic inflation

    SciTech Connect

    Nakayama, Kazunori; Takahashi, Fuminobu E-mail: fuminobu.takahashi@ipmu.jp

    2010-11-01

    We study a recently proposed running kinetic inflation model in which the inflaton potential becomes flat due to rapid growth of the kinetic term at large inflaton field values. As concrete examples, we build a variety of chaotic inflation models in supergravity with e.g. quadratic, linear, and fractional-power potentials. The power of the potential generically increases after inflation, and the inflaton is often massless at the potential minimum in the supersymmetric limit, which leads to many interesting phenomena. First, the light inflaton mass greatly relaxes severe thermal and non-thermal gravitino problems. Secondly, the kination epoch is naturally present after inflation, which may enhance the gravity waves. Thirdly, since the inflaton is light, it is likely coupled to the Higgs sector for successful reheating. The inflaton and its superpartner, inflatino, may be produced at the LHC. Interestingly, the inflatino can be dark matter, if it is the lightest supersymmetric particle.

  1. Kinetic Inductance Magnetometer

    E-print Network

    Luomahaara, Juho; Grönberg, Leif; Hassel, Juha

    2014-01-01

    Ultrasensitive magnetic field detection is utilized in the fields of science, medicine and industry. We report on a novel magnetometer relying on the kinetic inductance of superconducting material. The kinetic inductance exhibits a non-linear response with respect to DC current, a fact that is exploited by applying magnetic flux through a superconducting loop to generate a shielding current and a change in the inductance of the loop. The magnetometer is arranged into a resonator, allowing readout through a transmission measurement that makes the device compatible with radio frequency multiplexing techniques. The device is fabricated using a single thin-film layer of NbN, simplifying the fabrication process compared to existing magnetometer technologies considerably. Our experimental data, supported by theory, demonstrates a magnetometer having potential to replace established technology in applications requiring ultra-high sensitivity.

  2. Cosmological Kinetic Mixing

    E-print Network

    Ashok Das; Jorge Gamboa; Miguel Pino

    2015-06-22

    In this paper we generalize the kinetic mixing idea to time reparametrization invariant theories, namely, relativistic point particles and cosmology in order to obtain new insights for dark matter and energy. In the first example, two relativistic particles interact through an appropriately chosen coupling term. It is shown that the system can be diagonalized by means of a non-local field redefinition, and, as a result of this procedure, the mass of one the particles gets rescaled. In the second case, inspired by the previous example, two cosmological models (each with its own scale factor) are made to interact in a similar fashion. The equations of motion are solved numerically in different scenarios (dust, radiation or a cosmological constant coupled to each sector of the system). When a cosmological constant term is present, kinetic mixing rescales it to a lower value which may be more amenable to observations.

  3. Kinetic Theory of Gases

    NASA Astrophysics Data System (ADS)

    Murdin, P.

    2000-11-01

    The theory, developed in the nineteenth century, notably by Rudolf Clausius (1822-88) and James Clerk Maxwell (1831-79), that the properties of a gas (temperature, pressure, etc) could be described in terms of the motions (and kinetic energy) of the molecules comprising the gases. The theory has wide implications in astrophysics. In particular, the perfect gas law, which relates the pressure, vol...

  4. Berkery Kinetic StabilizationNSTX Jack Berkery

    E-print Network

    Princeton Plasma Physics Laboratory

    Berkery ­ Kinetic StabilizationNSTX Jack Berkery Kinetic Effects on RWM Stabilization in NSTX University, New York, NY, USA #12;Berkery ­ Kinetic StabilizationNSTX RWM Energy Principle ­ Kinetic Effects (Haney and Freidberg, PoFB, 1989) #12;Berkery ­ Kinetic StabilizationNSTX RWM Energy Principle ­ Kinetic

  5. Interfacial Reaction Kinetics

    E-print Network

    Ben O'Shaughnessy; Dimitrios Vavylonis

    1999-09-10

    We study irreversible A-B reaction kinetics at a fixed interface separating two immiscible bulk phases, A and B. We consider general dynamical exponent $z$, where $x_t\\sim t^{1/z}$ is the rms diffusion distance after time $t$. At short times the number of reactions per unit area, $R_t$, is {\\em 2nd order} in the far-field reactant densities $n_A^{\\infty},n_B^{\\infty}$. For spatial dimensions $d$ above a critical value $d_c=z-1$, simple mean field (MF) kinetics pertain, $R_t\\sim Q_b t n_A^{\\infty} n_B^{\\infty}$ where $Q_b$ is the local reactivity. For low dimensions $d Q_b^* \\sim (n_B^{\\infty})^{[z-(d+1)]/d}$. Logarithmic corrections arise in marginal cases. At long times, a cross-over to {\\em 1st order} DC kinetics occurs: $R_t \\approx x_t n_A^{\\infty}$. A density depletion hole grows on the more dilute A side. In the symmetric case ($n_A^{\\infty}=n_B^{\\infty}$), when $dd_c$ fluctuations are unimportant: local mean field theory applies at the interface (joint density distribution approximating the product of A and B densities) and $n_A^s \\sim t^{(1-z)/(2z)}$. We apply our results to simple molecules (Fickian diffusion, $z=2$) and to several models of short-time polymer diffusion ($z>2$).

  6. Structural factors controlling ligand binding to myoglobin: A kinetic hole-burning study

    PubMed Central

    Ormos, Pál; Száraz, Sándor; Cupane, Antonio; Nienhaus, G. Ulrich

    1998-01-01

    Using temperature-derivative spectroscopy in the temperature range below 100 K, we have studied the dependence of the Soret band on the recombination barrier in sperm whale carbonmonoxy myoglobin (MbCO) after photodissociation at 12 K. The spectra were separated into contributions from the photodissociated species, Mb*CO, and CO-bound myoglobin. The line shapes of the Soret bands of both photolyzed and liganded myoglobin were analyzed with a model that takes into account the homogeneous bandwidth, coupling of the electronic transition to vibrational modes, and static conformational heterogeneity. The analysis yields correlations between the activation enthalpy for rebinding and the model parameters that characterize the homogeneous subensembles within the conformationally heterogeneous ensemble. Such couplings between spectral and functional parameters arise when they both originate from a common structural coordinate. This effect is frequently denoted as “kinetic hole burning.” The study of these correlations gives direct insights into the structure–function relationship in proteins. On the basis of earlier work that assigned spectral parameters to geometric properties of the heme, the connections with the heme geometry are discussed. We show that two separate structural coordinates influence the Soret line shape, but only one of the two is coupled to the enthalpy barrier for rebinding. We give evidence that this coordinate, contrary to widespread belief, is not the iron displacement from the mean heme plane. PMID:9618486

  7. Nickel absorption and kinetics in human volunteers

    SciTech Connect

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

    1989-01-01

    Mathematical modeling was performed of the kinetics of nickel absorption, distribution and elimination in healthy human volunteers, who ingested NiSO4 in drinking water or added food. 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 ug Ni/kg, N=4; 18 ug Ni/kg, N=4; or 50 ug Ni/kg, N=1). The 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 to only one percent of nickel ingested in food. The compartmental model and kinetic parameters provided by the study will reduce the uncertainty of toxicological risk assessments of human exposures to nickel in drinking water and food.

  8. Relativistic Kinetics of Phonon Gas in Superfluids

    E-print Network

    Vladimir Popov

    2006-07-06

    The relativistic kinetic theory of the phonon gas in superfluids is developed. The technique of the derivation of macroscopic balance equations from microscopic equations of motion for individual particles is applied to an ensemble of quasi-particles. The necessary expressions are constructed in terms of a Hamilton function of a (quasi-)particle. A phonon contribution into superfluid dynamic parameters is obtained from energy-momentum balance equations for the phonon gas together with the conservation law for superfluids as a whole. Relations between dynamic flows being in agreement with results of relativistic hydrodynamic consideration are found. Based on the kinetic approach a problem of relativistic variation of the speed of sound under phonon influence at low temperature is solved.

  9. Kinetic modeling in PET imaging of hypoxia

    PubMed Central

    Li, Fan; Joergensen, Jesper T; Hansen, Anders E; Kjaer, Andreas

    2014-01-01

    Tumor hypoxia is associated with increased therapeutic resistance leading to poor treatment outcome. Therefore the ability to detect and quantify intratumoral oxygenation could play an important role in future individual personalized treatment strategies. Positron Emission Tomography (PET) can be used for non-invasive mapping of tissue oxygenation in vivo and several hypoxia specific PET tracers have been developed. Evaluation of PET data in the clinic is commonly based on visual assessment together with semiquantitative measurements e.g. standard uptake value (SUV). However, dynamic PET contains additional valuable information on the temporal changes in tracer distribution. Kinetic modeling can be used to extract relevant pharmacokinetic parameters of tracer behavior in vivo that reflects relevant physiological processes. In this paper, we review the potential contribution of kinetic analysis for PET imaging of hypoxia. PMID:25250200

  10. Jeans' gravitational instability and nonextensive kinetic theory

    E-print Network

    J. A. S. Lima; R. Silva; J. Santos

    2002-11-19

    The concept of Jeans gravitational instability is rediscussed in the framework of nonextensive statistics and its associated kinetic theory. A simple analytical formula generalizing the Jeans criterion is derived by assuming that the unperturbed self- gravitating collisionless gas is kinetically described by the $q$-parameterized class of power law velocity distributions. It is found that the critical values of wavelength and mass depend explicitly on the nonextensive $q$-parameter. The standard Jeans wavelength derived for a Maxwellian distribution is recovered in the limiting case $q$=1. For power-law distributions with cutoff, the instability condition is weakened with the system becoming unstable even for wavelengths of the disturbance smaller than the standard Jeans length $\\lambda_J$.

  11. Chemical Kinetic Modeling of Hydrogen Combustion Limits

    SciTech Connect

    Pitz, W J; Westbrook, C K

    2008-04-02

    A detailed chemical kinetic model is used to explore the flammability and detonability of hydrogen mixtures. In the case of flammability, a detailed chemical kinetic mechanism for hydrogen is coupled to the CHEMKIN Premix code to compute premixed, laminar flame speeds. The detailed chemical kinetic model reproduces flame speeds in the literature over a range of equivalence ratios, pressures and reactant temperatures. A series of calculation were performed to assess the key parameters determining the flammability of hydrogen mixtures. Increased reactant temperature was found to greatly increase the flame speed and the flammability of the mixture. The effect of added diluents was assessed. Addition of water and carbon dioxide were found to reduce the flame speed and thus the flammability of a hydrogen mixture approximately equally well and much more than the addition of nitrogen. The detailed chemical kinetic model was used to explore the detonability of hydrogen mixtures. A Zeldovich-von Neumann-Doring (ZND) detonation model coupled with detailed chemical kinetics was used to model the detonation. The effectiveness on different diluents was assessed in reducing the detonability of a hydrogen mixture. Carbon dioxide was found to be most effective in reducing the detonability followed by water and nitrogen. The chemical action of chemical inhibitors on reducing the flammability of hydrogen mixtures is discussed. Bromine and organophosphorus inhibitors act through catalytic cycles that recombine H and OH radicals in the flame. The reduction in H and OH radicals reduces chain branching in the flame through the H + O{sub 2} = OH + O chain branching reaction. The reduction in chain branching and radical production reduces the flame speed and thus the flammability of the hydrogen mixture.

  12. Critical study of the B{yields}K{pi} puzzle

    SciTech Connect

    Kim, C.S.; Oh, Sechul; Yu, Chaehyun

    2005-10-01

    In the light of new experimental results on B{yields}K{pi} decays, we critically study the decay processes B{yields}K{pi} in a phenomenological way. Using the quark diagram approach and the currently available data, we determine the allowed values of the relevant theoretical parameters, corresponding to the electroweak (EW) penguin, the color-suppressed tree contribution, etc. In order to find the most likely values of the parameters in a statistically reliable way, we use the {chi}{sup 2} minimization technique. Our result shows that the current data for B{yields}K{pi} decays strongly indicate (large) enhancements of both the EW penguin and the color-suppressed tree contributions. In particular, the color-suppressed tree effect needs to be enhanced by about an order of magnitude to fit the present data.

  13. Metastable Solution Thermodynamic Properties and Crystal Growth Kinetics

    NASA Technical Reports Server (NTRS)

    Kim, Soojin; Myerson, Allan S.

    1996-01-01

    The crystal growth rates of NH4H2PO4, KH2PO4, (NH4)2SO4, KAl(SO4)2 central dot 12H2O, NaCl, and glycine and the nucleation rates of KBr, KCl, NaBr central dot 2H2O, (NH4)2Cl, and (NH4)2SO4 were expressed in terms of the fundamental driving force of crystallization calculated from the activity of supersaturated solutions. The kinetic parameters were compared with those from the commonly used kinetic expression based on the concentration difference. From the viewpoint of thermodynamics, rate expressions based on the chemical potential difference provide accurate kinetic representation over a broad range of supersaturation. The rates estimated using the expression based on the concentration difference coincide with the true rates of crystallization only in the concentration range of low supersaturation and deviate from the true kinetics as the supersaturation increases.

  14. Kinetic Modelling of Macroscopic Properties Changes during Crosslinked Polybutadiene Oxidation

    NASA Astrophysics Data System (ADS)

    Audouin, Ludmila; Coquillat, Marie; Colin, Xavier; Verdu, Jacques; Nevière, Robert

    2008-08-01

    The thermal oxidation of additive free hydroxyl-terminated polybutadiene (HTPB) isocyanate crosslinked rubber bulk samples has been studied at 80, 100 and 120 °C in air. The oxidation kinetics has been monitored by gravimetry and thickness distribution of oxidation products was determined by FTIR mapping. Changes of elastic shear modulus G' during oxidation were followed during oxidation at the same temperatures. The kinetic model established previously for HTPB has been adapted for bulk sample oxidation using previously determined set of kinetic parameters. Oxygen diffusion control of oxidation has been introduced into the model. The mass changes kinetic curves and oxidation products profiles were simulated and adequate fit was obtained. Using the rubber elasticity theory the elastic modulus changes were simulated taking into account the elastically active chains concentration changes due to chain scission and crosslinking reactions. The reasonable fit of G' as a function of oxidation time experimental curves was obtained.

  15. Amylolysis of maize mutant starches described with a fractal-like kinetics model.

    PubMed

    Kansou, Kamal; Buléon, Alain; Gérard, Catherine; Rolland-Sabaté, Agnès

    2015-06-01

    Two empirical models, a conventional first-order kinetics and a fractal-like first-order kinetic model were tested for analysing the hydrolysis of 13 wild type, single and double mutants of maize starch by porcine pancreatic ?-amylase (PPA). The major difference between the two models is an additional parameter, the fractal kinetics exponent h, which enables to characterise a decrease of the reaction rate coefficient over time. The fractal-like kinetic model should be preferred to characterise the amylolysis for 10 mutants out of 13 as sugary-2 and amylose-extender curves exhibit clear reaction rate retardation, unlike normal maize and waxy maize. Analysis of the model parameter values reveals two groups of kinetics for the maize mutants: amylose-extender, normal and waxy on one hand, sugary-2 on the other hand. Possible relations between the parameters of the model and granule composition and structure are discussed. PMID:25843858

  16. Secondary scintillation yield in pure xenon

    NASA Astrophysics Data System (ADS)

    Monteiro, C. M. B.; Fernandes, L. M. P.; Lopes, J. A. M.; Coelho, L. C. C.; Veloso, J. F. C. A.; dos Santos, J. M. F.; Giboni, K.; Aprile, E.

    2007-05-01

    The xenon secondary scintillation yield was studied as a function of the electric field in the scintillation region, in a gas proportional scintillation counter operated at room temperature. A large area avalanche photodiode was used for the readout of the VUV secondary scintillation produced in the gas, together with the 5.9 keV x-rays directly absorbed in the photodiode. The latter was used as a reference for the determination of the number of charge carriers produced by the scintillation pulse and, thus, the number of VUV photons impinging the photodiode. A value of 140 photons/kV was obtained for the scintillation amplification parameter. The attained results are in good agreement with those predicted, for room temperature, by Monte Carlo simulation and Boltzmann calculations, as well as with those obtained for saturated xenon vapour, at cryogenic temperatures, and are about a factor of two higher than former results measured at room temperature.

  17. Kinetic fractionation of Fe isotopes during transport through a porous quartz-sand column

    NASA Astrophysics Data System (ADS)

    Matthews, Alan; Emmanuel, Simon; Levi, Lena; Gvirtzman, Haim; Erel, Yigal

    2008-12-01

    Sorption and desorption processes are an important part of biological and geochemical metallic isotope cycles. Here, we address the dynamic aspects of metallic isotopic fractionation in a theoretical and experimental study of Fe sorption and desorption during the transport of aqueous Fe(III) through a quartz-sand matrix. Transport equations describing the behavior of sorbing isotopic species in a water saturated homogeneous porous medium are presented; isotopic fractionation of the system (? sorbedmetal-soln) being defined in terms of two parameters: (i) an equilibrium fractionation factor, ?e; and (ii) a kinetic sorption factor, ?1. These equations are applied in a numerical model that simulates the sorption-desorption of Fe isotopes during injection of a Fe(III) solution pulse into a quartz matrix at pH 0-2 and explores the effects of the kinetic and equilibrium parameters on the Fe-isotope evolution of porewater. The kinetic transport theory is applied to a series of experiments in which pulses of Na and Fe(III) chloride solutions were injected into a porous sand grain column. Fractionation factors of ?e = 1.0003 ± 0.0001 and ?1 = 0.9997 ± 0.0004 yielded the best fit between the transport model and the Fe concentration and ?56Fe data. The equilibrium fractionation (? 56Fe sorbedFe-soln) of 0.3‰ is comparable with values deduced for adsorption of metallic cations on iron and manganese oxide surfaces and suggests that sandstone aquifers will fractionate metallic isotopes during sorption-desorption reactions. The ability of the equilibrium fractionation factor to describe a natural system, however, depends on the proximity to equilibrium, which is determined by the relative time scales of mass transfer and chemical reaction; low fluid transport rates should produce a system that is less dependent on kinetic effects. The results of this study are applicable to Fe-isotope fractionation in clastic sediments formed in highly acidic conditions; such conditions may have existed on Mars where acidic oxidizing ground and surface waters may have been responsible for clastic sedimentation and metallic element transport.

  18. Intrinsic autotrophic biomass yield and productivity in algae: modeling spectral and mixing-rate dependence.

    PubMed

    Holland, Alexandra D; Wheeler, Dean R

    2011-05-01

    For non-inhibitory irradiances, the rate of algal biomass synthesis was modeled as the product of the algal autotrophic yield ?(DW) and the flux of photons absorbed by the culture, as described using Beer-Lambert law. As a contrast to earlier attempts, the use of scatter-corrected extinction coefficients enabled the validation of such approach, which bypasses determination of photosynthesis-irradiance (PI) kinetic parameters. The broad misconception that PI curves, or the equivalent use of specific growth rate expressions independent of the biomass concentration, can be extended to adequately model biomass production under light-limitation is addressed. For inhibitory irradiances, a proposed mechanistic model, based on the photosynthetic units (PSU) concept, allows one to estimate a target speed ?T across the photic zone in order to limit the flux of photons per cell to levels averting significant reductions in ?(DW) . These modeled target speeds, on the order of 5-20 m s(-1) for high outdoor irradiances, call for fundamental changes in reactor design to optimize biomass productivity. The presented analysis enables a straightforward bioreactor parameterization, which, in-turn, guides the establishment of conditions ensuring maximum productivity and complete nutrients consumption. Additionally, solar and fluorescent lighting spectra were used to calculate energy to photon-counts conversion factors. PMID:21381201

  19. Efficiency, error and yield in light-directed maskless synthesis of DNA microarrays

    PubMed Central

    2011-01-01

    Background Light-directed in situ synthesis of DNA microarrays using computer-controlled projection from a digital micromirror device--maskless array synthesis (MAS)--has proved to be successful at both commercial and laboratory scales. The chemical synthetic cycle in MAS is quite similar to that of conventional solid-phase synthesis of oligonucleotides, but the complexity of microarrays and unique synthesis kinetics on the glass substrate require a careful tuning of parameters and unique modifications to the synthesis cycle to obtain optimal deprotection and phosphoramidite coupling. In addition, unintended deprotection due to scattering and diffraction introduce insertion errors that contribute significantly to the overall error rate. Results Stepwise phosphoramidite coupling yields have been greatly improved and are now comparable to those obtained in solid phase synthesis of oligonucleotides. Extended chemical exposure in the synthesis of complex, long oligonucleotide arrays result in lower--but still high--final average yields which approach 99%. The new synthesis chemistry includes elimination of the standard oxidation until the final step, and improved coupling and light deprotection. Coupling Insertions due to stray light are the limiting factor in sequence quality for oligonucleotide synthesis for gene assembly. Diffraction and local flare are by far the largest contributors to loss of optical contrast. Conclusions Maskless array synthesis is an efficient and versatile method for synthesizing high density arrays of long oligonucleotides for hybridization- and other molecular binding-based experiments. For applications requiring high sequence purity, such as gene assembly, diffraction and flare remain significant obstacles, but can be significantly reduced with straightforward experimental strategies. PMID:22152062

  20. Evaluating effective reaction rates of kinetically driven solutes in large-scale, statistically anisotropic media: Human health risk implications

    NASA Astrophysics Data System (ADS)

    Siirila, Erica R.; Maxwell, Reed M.

    2012-04-01

    The interplay between regions of high and low hydraulic conductivity, degree of aquifer stratification, and rate-dependent geochemical reactions in heterogeneous flow fields is investigated, focusing on impacts of kinetic sorption and local dispersion on plume retardation and channeling. Human health risk is used as an endpoint for comparison via a nested Monte Carlo scheme, explicitly considering joint uncertainty and variability. Kinetic sorption is simulated with finely resolved, large-scale domains to identify hydrogeologic conditions where reactions are either rate limited (nonreactive), in equilibrium (linear equilibrium assumption is appropriate), or are sensitive to time-dependent kinetic reactions. By utilizing stochastic ensembles, effective equilibrium conditions are examined, in addition to parameter interplay. In particular, the effects of preferential flow pathways and solute mixing at the field-scale (marcrodispersion) and subgrid (local dispersion, LD) are examined for varying degrees of stratification and regional groundwater velocities (v). Results show effective reaction rates of kinetic ensembles with the inclusion of LD yield disequilibrium transport, even for averaged (or global) Damköholer numbers associated with equilibrium transport. Solute behavior includes an additive tailing effect, a retarded peak time, and results in an increased cancer risk. The inclusion of LD for nonreactive solutes in highly anisotropic media results in either induced solute retardation or acceleration, a new finding given that LD has previously been shown to affect only the concentration variance. The distribution, magnitude, and associated uncertainty of cancer risk are controlled by the up scaling of these small-scale processes, but are strongly dependent on v and the source term.

  1. Stellar yields - models and observations

    NASA Astrophysics Data System (ADS)

    Karakas, Amanda

    2015-08-01

    The chemical evolution of the Universe is governed by the chemical yields from stars, which in turn is determined primarily by the initial stellar mass. Even stars as low as 0.9 solar mass can, at low metallicity, contribute to the chemical evolution of elements. Stars less massive than about 10 solar mass experience recurrent mixing events on the giant branches that can significantly change the surface composition of the envelope, with observed enrichments in carbon, nitrogen, fluorine, and heavy elements synthesised by the slow neutron capture process (the s-process). Low and intermediate mass stars release their nucleosynthesis products through stellar outflows or winds, in contrast to massive stars that explode as core-collapse supernovae.Here I review the stellar yields available for single stars up to about 10 solar mass, which includes stars that go through carbon burning before ascending the asymptotic giant branch (AGB). I discuss the main uncertainties affecting the theoretical calculations and recent observations that can be used to constrain models. I also mention efforts by various groups to address these issues and provide homogeneous yields for low and intermediate-mass stars covering a broad range of metallicities. Finally, I discuss the role that AGB stars play in the broader picture of the chemical evolution of galaxies and stellar systems, noting that observations of low-metallicity stars can provide important insights into nucleosynthesis in the early Universe.

  2. Estimates of Sputter Yields of Solar-Wind Heavy Ions of Lunar Regolith Materials

    NASA Technical Reports Server (NTRS)

    Barghouty, Abdulmasser F.; Adams, James H., Jr.

    2008-01-01

    At energies of approximately 1 keV/amu, solar-wind protons and heavy ions interact with the lunar surface materials via a number of microscopic interactions that include sputtering. Solar-wind induced sputtering is a main mechanism by which the composition of the topmost layers of the lunar surface can change, dynamically and preferentially. This work concentrates on sputtering induced by solar-wind heavy ions. Sputtering associated with slow (speeds the electrons speed in its first Bohr orbit) and highly charged ions are known to include both kinetic and potential sputtering. Potential sputtering enjoys some unique characteristics that makes it of special interest to lunar science and exploration. Unlike the yield from kinetic sputtering where simulation and approximation schemes exist, the yield from potential sputtering is not as easy to estimate. This work will present a preliminary numerical scheme designed to estimate potential sputtering yields from reactions relevant to this aspect of solar-wind lunar-surface coupling.

  3. Analysis of Crystallization Kinetics

    NASA Technical Reports Server (NTRS)

    Kelton, Kenneth F.

    1997-01-01

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

  4. Kinetics of protein aggregation

    NASA Astrophysics Data System (ADS)

    Knowles, Tuomas

    2015-03-01

    Aggregation into linear nanostructures, notably amyloid and amyloid-like fibrils, is a common form of behaviour exhibited by a range of peptides and proteins. This process was initially discovered in the context of the aetiology of a range of neurodegenerative diseases, but has recently been recognised to of general significance and has been found at the origin of a number of beneficial functional roles in nature, including as catalytic scaffolds and functional components in biofilms. This talk discusses our ongoing efforts to study the kinetics of linear protein self-assembly by using master equation approaches combined with global analysis of experimental data.

  5. Influenza A Virus Infection Kinetics: Quantitative Data and Models

    PubMed Central

    Smith, Amber M.; Perelson, Alan S.

    2011-01-01

    Influenza A virus is an important respiratory pathogen that poses a considerable threat to public health each year during seasonal epidemics and even more so when a pandemic strain emerges. Understanding the mechanisms involved in controlling an influenza infection within a host is important and could result in new and effective treatment strategies. Kinetic models of influenza viral growth and decay can summarize data and evaluate the biological parameters governing interactions between the virus and the host. Here we discuss recent viral kinetic models for influenza. We show how these models have been used to provide insight into influenza pathogenesis and treatment, and we highlight the challenges of viral kinetic analysis, including accurate model formulation, estimation of important parameters, and the collection of detailed data sets that measure multiple variables simultaneously. PMID:21197654

  6. Transition of electron kinetics in weakly magnetized inductively coupled plasmas

    SciTech Connect

    Kim, Jin-Yong; Lee, Hyo-Chang; Kim, Young-Do; Chung, Chin-Wook; Kim, Young-Cheol

    2013-10-15

    Transition of the electron kinetics from nonlocal to local regime was studied in weakly magnetized solenoidal inductively coupled plasma from the measurement of the electron energy probability function (EEPF). Without DC magnetic field, the discharge property was governed by nonlocal electron kinetics at low gas pressure. The electron temperatures were almost same in radial position, and the EEPFs in total electron energy scale were radially coincided. However, when the DC magnetic field was applied, radial non-coincidence of the EEPFs in total electron energy scale was observed. The electrons were cooled at the discharge center where the electron heating is absent, while the electron temperature was rarely changed at the discharge boundary with the magnetic field. These changes show the transition from nonlocal to local electron kinetics and the transition is occurred when the electron gyration diameter was smaller than the skin depth. The nonlocal to local transition point almost coincided with the calculation results by using nonlocal parameter and collision parameter.

  7. Using hyperheuristics to improve the determination of the kinetic constants of a chemical reaction in

    E-print Network

    Giménez, Domingo

    Using hyperheuristics to improve the determination of the kinetic constants of a chemical reaction constants of a chemical reaction Kinetic parameters of a chemical reaction are determined with metaheuristic of a chemical reaction that occurs in heterogeneous phase involves the simulation of the processes occurring

  8. Measurement of Enzyme Kinetics by Use of a Blood Glucometer: Hydrolysis of Sucrose and Lactose

    ERIC Educational Resources Information Center

    Heinzerling, Peter; Schrader, Frank; Schanze, Sascha

    2012-01-01

    An alternative analytical method for measuring the kinetic parameters of the enzymes invertase and lactase is described. Invertase hydrolyzes sucrose to glucose and fructose and lactase hydrolyzes lactose to glucose and galactose. In most enzyme kinetics studies, photometric methods or test strips are used to quantify the derivates of the…

  9. Kinetics of Microbial Bromate Reduction in a Hydrogen-Oxidizing, Denitrifying Biofilm Reactor

    E-print Network

    Nerenberg, Robert

    Reactor Leon S. Downing, Robert Nerenberg Department of Civil Engineering and Geological Sciences kinetics for a hydrogen-based bromate reduction process. A mixed-culture MBfR reduced up to 1,500 mg rates in the MBfR. Kinetic parameters for the process were estimated based on the short-term bromate

  10. Kinetics and Equilibrium Sorption Models: Fitting Plutonium, Strontium, Uranium and Neptunium Loading on Monosodium Titanate (MST)

    SciTech Connect

    Fondeur, F

    2006-03-08

    The Dubinin-Astashov (DA) isotherm parameters for U, Pu, Sr and Np have been updated to include additional data obtained since the original derivation. The DA isotherms were modified to include a kinetic function derived by Rahn to describe sorbate loading from the beginning of sorption up to steady state. The final functions describe both kinetic and thermodynamic sorption.

  11. Role of conformational dynamics in kinetics of an enzymatic cycle in a nonequilibrium steady state

    E-print Network

    Xie, Xiaoliang Sunney

    a nonequilibrium steady state. Under certain conditions, the classic MM equation holds but with generalizedRole of conformational dynamics in kinetics of an enzymatic cycle in a nonequilibrium steady state microscopic interpretations of kinetic parameters. However, under other conditions, our rate theory predicts

  12. Characterization and Thermal Dehydration Kinetics of Highly Crystalline Mcallisterite, Synthesized at Low Temperatures

    PubMed Central

    Senberber, Fatma Tugce

    2014-01-01

    The hydrothermal synthesis of a mcallisterite (Mg2(B6O7(OH)6)2·9(H2O)) mineral at low temperatures was characterized. For this purpose, several reaction temperatures (0–70°C) and reaction times (30–240?min) were studied. Synthesized minerals were subjected to X-ray diffraction (XRD), fourier transform infrared (FT-IR), and Raman spectroscopies and scanning electron microscopy (SEM). Additionally, experimental analyses of boron trioxide (B2O3) content and reaction yields were performed. Furthermore, thermal gravimetry and differential thermal analysis (TG/DTA) were used for the determination of thermal dehydration kinetics. According to the XRD results, mcallisterite, which has a powder diffraction file (pdf) number of “01-070-1902,” was formed under certain reaction parameters. Pure crystalline mcallisterite had diagnostic FT-IR and Raman vibration peaks and according to the SEM analysis, for the minerals which were synthesized at 60°C and 30?min of reaction time, particle size was between 398.30 and 700.06?nm. Its B2O3 content and reaction yield were 50.80 ± 1.12% and 85.80 ± 0.61%, respectively. Finally, average activation energies (conversion values (?) that were selected between 0.1 and 0.6) were calculated as 100.40?kJ/mol and 98.31?kJ/mol according to Ozawa and Kissinger-Akahira-Sunose (KAS) methods, respectively. PMID:24719585

  13. Thermogravimetric studies on the kinetics of rice hull pyrolysis and the influence of water treatment

    SciTech Connect

    Teng, H.; Wei, Y.C.

    1998-10-01

    Rice hulls were pyrolyzed in a thermogravimetric analyzer in a helium atmosphere to determine the kinetic parameters of devolatilization reactions. The pyrolysis experiments were conducted by heating rice hulls from room temperature to 1173 K at constant heating rates of 3, 10, 30, 60, and 100 K/min. The global mass loss during rice hull pyrolysis was successfully simulated by a combination of four independent parallel reactions, the decompositions of four major components in rice hulls: moisture, hemicellulose, cellulose, and lignin. The activation energy for the decomposition of the nonmoisture components was in the order cellulose > hemicellulose > lignin. It was also found in the present study that the pyrolytic behaviors were significantly influenced by water wash prior to pyrolysis. The water wash elevates the peak temperature and the activation energy for the decomposition of each component of rice hulls. The volatile yields resulting from cellulose and hemicellulose decompositions during rice hull pyrolysis increase due to the water treatment, whereas those from lignin decomposition and the char yield decrease.

  14. Chemical kinetic considerations for postflame synthesis of carbon nanotubes in premixed flames using a support catalyst

    SciTech Connect

    Gopinath, Prarthana; Gore, Jay

    2007-11-15

    Multiwalled carbon nanotubes (MWCNTs) on a grid supported cobalt nanocatalyst were grown, by exposing it to combustion gases from ethylene/air rich premixed flames. Ten equivalence ratios ({phi}) were investigated, as follows: 1.37, 1.44, 1.47, 1.50, 1.55, 1.57, 1.62, 1.75, 1.82, and 1.91. MWCNT growth could be observed for the range of equivalence ratios between 1.45 and 1.75, with the best yield restricted to the range 1.5-1.6. A one-dimensional premixed flame code with a postflame heat loss model, including detailed chemistry, was used to estimate the gas phase chemical composition that favors MWCNT growth. The results of the calculations show that the mixture, including the water gas shift reaction, is not even in partial chemical equilibrium. Therefore, past discussions of compositional parameters that relate to optimum carbon nanotube (CNT) growth are revised to include chemical kinetic effects. Specifically, rapid departures of the water gas shift reaction from partial equilibrium and changes in mole fraction ratios of unburned C{sub 2} hydrocarbons to hydrogen correlate well with experimentally observed CNT yields. (author)

  15. Kinetics of the BrO + NO2 Association Reaction. Temperature and Pressure Dependence in the Falloff Regime

    NASA Technical Reports Server (NTRS)

    Thron, R. P.; Daykin, E. P.; Wine, P.H.

    1997-01-01

    A laser flash photolysis-long path absorption technique has been employed to study the kinetics of the reaction BrO + NO2 + M yields (k1) products as a function of temperature (248-346 K), pressure (16-800 torr), and buffer gas identity (N2,CF4) The reaction is found to be in the falloff regime between third and second-order over the entire range of conditions investigated This is the first study where temperature-dependent measurements of k1(P,T) have been reported at pressures greater than 12 torr; hence, our results help constrain choices of k1(P,T) for use in models of lower stratospheric BrO(x) chemistry. Approximate falloff parameters in a convenient form for atmospheric modeling are derived.

  16. Heavy-quark binding and kinetic energies in heavy-light mesons and the constituent quark model

    E-print Network

    Silvano Simula

    1997-10-07

    The spin-averaged binding energy and the hyperfine mass splitting of heavy-light mesons are investigated within the constituent quark model as a function of the inverse heavy-quark mass. It is shown that the so-called heavy-quark kinetic energy, -lambda1 / 2mQ, may differ remarkably from the non-relativistic expectation / 2mQ, thanks to relativistic effects in the effective interquark potential for heavy-light mesons, which may yield substantial 1 / mQ corrections to the heavy-quark static limit. The determination of the difference of the hadronic parameter lambda1 in the B(u(d)) and B(c) mesons can provide information about the strength of relativistic effects in the interquark interaction.

  17. EFFECT OF SELECTED PARAMETERS ON PREDICTIONS OF A PHOTOCHEMICAL MODEL

    EPA Science Inventory

    A sensitivity study was undertaken to assess the effect of selected parameters on the predictions of a photochemical kinetics model. The model was previously developed for use in designing control requirements for ozone reduction in urban areas. The parameters varied in the prese...

  18. Generalized slow roll for noncanonical kinetic terms

    NASA Astrophysics Data System (ADS)

    Hu, Wayne

    2011-07-01

    We show that the generalized slow roll approach for calculating the power spectrum where the inflationary slow roll parameters are neither small nor slowly varying can be readily extended to models with noncanonical kinetic terms in the inflaton action. For example, rapid sound speed variations can arise in Dirac-Born-Infeld models with features in the warp factor leading to features in the power spectrum. Nonetheless there remains a single source function for deviations that is simply related to the power spectrum. Empirical constraints on this source function can be readily interpreted in the context of features in the inflaton potential or sound speed.

  19. A Kinetic Theory of Coupled Oscillators

    E-print Network

    Eric J. Hildebrand; Michael A. Buice; Carson C. Chow

    2006-12-12

    We present an approach for the description of fluctuations that are due to finite system size induced correlations in the Kuramoto model of coupled oscillators. We construct a hierarchy for the moments of the density of oscillators that is analogous to the BBGKY hierarchy in the kinetic theory of plasmas and gases. To calculate the lowest order system size effect, we truncate this hierarchy at second order and solve the resulting closed equations for the two-oscillator correlation function around the incoherent state. We use this correlation function to compute the fluctuations of the order parameter, including the effect of transients, and compare this computation with numerical simulations.

  20. Amyloplast Sedimentation Kinetics in Corn Roots

    NASA Technical Reports Server (NTRS)

    Leopold, A. C.; Sack, F.

    1985-01-01

    Knowledge of the parameters of amyloplast sedimentation is crucial for an evaluation of proposed mechanisms of root graviperception. Early estimates of the rate of root amyloplast sedimentation were as low as 1.2 micron/min which may be too slow for many amyloplasts to reach the vicinity of the new lower wall within the presentation time. On this basis, Haberlandt's classical statolith hypothesis involving amyloplast stimulation of a sensitive surface near the new lower wall was questioned. The aim was to determine the kinetics of amyloplast sedimentation with reference to the presentation time in living and fixed corn rootcap cells as compared with coleoptiles of the same variety.

  1. Kinetics of coal pyrolysis and devolatilization

    SciTech Connect

    Not Available

    1987-01-01

    Research continued an coal pyrolysis and devolatilization. An experimentally based, conceptual model of the devolatilization of a HV bituminous coal is outlined in this repair. This model contends that the relative dominance of a process type-chemical kinetic, heat transport, mass transport -- varies with the extent of reaction for a given set of heating conditions and coal type and with experimental and with experimental conditions for a given coal types and extent of reaction. The relevant reference'' conditions of interest for direct utilization are rapid transient heating of small (< 100 micron) particles to temperatures of 1000{degrees}C or greater. The model postulatew that the overall rates of coal devolatilization should vary with coal type insofar as the characteristics of the parent coal determine the potential tar yield and the chemical characteristics of the initial tars. Experimental evidence indicates chemical characteristics and yields of primary'' tars vary significant with coal type. Consequently, the conceptual model would indicate a shift from transport to chemical dominance of rate processes with variation in coal types. Using the conceptual model, UTRC has been able to correlate initial mass loss with a heat transfer index for a wide range of conditions for high tar yielding coals. 33 refs., 30 figs., 6 tabs.

  2. Chemical kinetics on extrasolar planets.

    PubMed

    Moses, Julianne I

    2014-04-28

    Chemical kinetics plays an important role in controlling the atmospheric composition of all planetary atmospheres, including those of extrasolar planets. For the hottest exoplanets, the composition can closely follow thermochemical-equilibrium predictions, at least in the visible and infrared photosphere at dayside (eclipse) conditions. However, for atmospheric temperatures approximately <2000K, and in the uppermost atmosphere at any temperature, chemical kinetics matters. The two key mechanisms by which kinetic processes drive an exoplanet atmosphere out of equilibrium are photochemistry and transport-induced quenching. I review these disequilibrium processes in detail, discuss observational consequences and examine some of the current evidence for kinetic processes on extrasolar planets. PMID:24664912

  3. Diffusion Influenced Adsorption Kinetics.

    PubMed

    Miura, Toshiaki; Seki, Kazuhiko

    2015-08-27

    When the kinetics of adsorption is influenced by the diffusive flow of solutes, the solute concentration at the surface is influenced by the surface coverage of solutes, which is given by the Langmuir-Hinshelwood adsorption equation. The diffusion equation with the boundary condition given by the Langmuir-Hinshelwood adsorption equation leads to the nonlinear integro-differential equation for the surface coverage. In this paper, we solved the nonlinear integro-differential equation using the Grünwald-Letnikov formula developed to solve fractional kinetics. Guided by the numerical results, analytical expressions for the upper and lower bounds of the exact numerical results were obtained. The upper and lower bounds were close to the exact numerical results in the diffusion- and reaction-controlled limits, respectively. We examined the validity of the two simple analytical expressions obtained in the diffusion-controlled limit. The results were generalized to include the effect of dispersive diffusion. We also investigated the effect of molecular rearrangement of anisotropic molecules on surface coverage. PMID:25969862

  4. Mineral hydrolysis kinetics

    SciTech Connect

    Westrich, H.R.; Cygan, R.T.; Arnold, G.W.; Casey, W.H.

    1993-07-01

    Dissolution rate laws for silicate mineral weathering can be related to kinetics of ligand-exchange reactions. This relation is being tested with an experimental/analytical/theoretical program for measuring the dissolution kinetics of orthosilicate minerals for use in ionic modeling and molecular dynamics computer simulations of solid, aqueous solution, and solid/liquid interface. To date, dissolution rate have been measured for a suite of endmember and mixed-cation orthosilicate minerals (both olivine and willemite structures) as well as a few inosilicate minerals (pyroxenes). Dissolution rates appear to correlate well with solvent exchange rates around the hydrated divalent cations. Siloxane (Si-O-Si) bonds are relatively unreactive at low pH`s close to zero point of neutral charge for quartz. The correlation suggests that silicic acid would be released from the reacting surfaces after protonation and hydration of bonds between divalent metals and structural oxygens; congruent dissolution is confirmed by Rutherford backscattered analysis of the near-surface of an acid-reacted forsterite. In the ionic modeling, except for liebenbergite, there is a general trend of increasing lattice energy with decreasing dissolution rate for endmember and mixed-cation orthosilicate minerals at pH 2. 3 figs, 4 refs.

  5. Kinetics of coal pyrolysis

    SciTech Connect

    Seery, D.J.; Freihaut, J.D.; Proscia, W.M. ); Howard, J.B.; Peters, W.; Hsu, J.; Hajaligol, M.; Sarofim, A. ); Jenkins, R.; Mallin, J.; Espindola-Merin, B. ); Essenhigh, R.; Misra, M.K. )

    1989-07-01

    This report contains results of a coordinated, multi-laboratory investigation of coal devolatilization. Data is reported pertaining to the devolatilization for bituminous coals over three orders of magnitude in apparent heating rate (100 to 100,000 + {degree}C/sec), over two orders of magnitude in particle size (20 to 700 microns), final particle temperatures from 400 to 1600{degree}C, heat transfer modes ranging from convection to radiative, ambient pressure ranging from near vacuum to one atmosphere pressure. The heat transfer characteristics of the reactors are reported in detail. It is assumed the experimental results are to form the basis of a devolatilization data base. Empirical rate expressions are developed for each phase of devolatilization which, when coupled to an awareness of the heat transfer rate potential of a particular devolatilization reactor, indicate the kinetics emphasized by a particular system reactor plus coal sample. The analysis indicates the particular phase of devolatilization that will be emphasized by a particular reactor type and, thereby, the kinetic expressions appropriate to that devolatilization system. Engineering rate expressions are developed from the empirical rate expressions in the context of a fundamental understanding of coal devolatilization developed in the course of the investigation. 164 refs., 223 figs., 44 tabs.

  6. Extraction kinetics and properties of proanthocyanidins from pomegranate peel

    Technology Transfer Automated Retrieval System (TEKTRAN)

    With an objective of developing a safe and efficient method to extract proanthocyanidins products from pomegranate peel for use in nutraceuticals or as food additives, the effects of extraction parameters on the production efficiency, product properties, and extraction kinetics were systematically s...

  7. A Computer Simulated Experiment in Complex Order Kinetics

    ERIC Educational Resources Information Center

    Merrill, J. C.; And Others

    1975-01-01

    Describes a computer simulation experiment in which physical chemistry students can determine all of the kinetic parameters of a reaction, such as order of the reaction with respect to each reagent, forward and reverse rate constants for the overall reaction, and forward and reverse activation energies. (MLH)

  8. Kinetic Studies of the Solvolysis of Two Organic Halides

    ERIC Educational Resources Information Center

    Duncan, J. A.; Pasto, D. J.

    1975-01-01

    Describes an undergraduate organic chemistry laboratory experiment which utilizes the solvolysis of organic halides to demonstrate first and second order reaction kinetics. The experiment also investigates the effect of a change of solvent polarity on reaction rate, common-ion and noncommon-ion salt effects, and the activation parameters of a…

  9. Time-Dependent CP Asymmetries in b {yields} s Penguins

    SciTech Connect

    Miyake, H.

    2006-07-11

    We present measurements of time-dependent CP asymmetry parameters in B{sup 0} {yields} {phi}(1020)K{sup 0}, {eta}'K{sup 0}, K{sub S}{sup 0}K{sub S}{sup 0}K{sub S}{sup 0} K{sub S}{sup 0}, K{sub S}{sup 0}{pi}{sup 0}, f{sub 0}(980)K{sub S}{sup 0}, {omega}(782)K{sub S}{sup 0} and K{sup +}K{sup -}K{sub S}{sup 0} decays based on a sample of 386 x 106BB(bar sign) pairs collected at the {upsilon}(4S) resonance with the Belle detector at the KEKB energy asymmetric e+e- collider. These decays are dominated by the b {yields} s gluonic penguin transition and are sensitive to new CP-violating phases from physics beyond the standard model. One neutral meson is fully reconstructed in one of the specified decay channels, and the flavor of the accompanying B meson is identified from its decay products. CP-violation parameters are obtained from the asymmetries in the distributions of the proper-time intervals between the two B decays. We also perform measurement of time-dependent CP asymmetry parameters in B{sup 0} {yields} K{sub S}{sup 0}{gamma} decay that is dominated by the b {yields} s radiative penguin.

  10. Assessment of a Novel Algal Strain Chlamydomonas debaryana NIREMACC03 for Mass Cultivation, Biofuels Production and Kinetic Studies.

    PubMed

    Mishra, Sanjeev; Singh, Neetu; Sarma, Anil Kumar

    2015-08-01

    A novel microalgae strain Chlamydomonas debaryana (KJ210856) was isolated from a freshwater lake of Punjab, India, and cultivated considering climatic sustainability and inherent adaptability concern. C. debaryana was grown in a 30-L indoor photobioreactor to study the mass cultivation prospect and biofuel potential. Physicochemical characterization of biomass and the lipid was performed with effect to nitrogen stress. It showed a higher biomass yield (1.58 ± 0.02 g L(-1), dry weight) and twofold increase in lipid yield (552.78 ± 9 mg L(-1)) with 34.2 ± 0.19 % lipid content under nitrogen deficient condition. Strikingly, increase in triglycerides achieved with nitrogen depletion containing over 96 % of total fatty acids (C 14, C 16, and C 18). Proximate and ultimate analysis suggested the presence of relatively higher volatile matter and carbon-hydrogen ratio. Furthermore, lower moisture and ash content signified C. debaryana biomass has promising features towards biofuel applications. The pyrolytic behavior of the whole biomass was also studied using thermogravimetric analyzer (TGA) and kinetic parameters were estimated using different methods. Promising growth rate and lipid yield leading to feasible biofuel feed stock production in indoor photobioreactor along with autosediment potential of cells validates C. debaryana NIREMACC03, a potential strain for mass cultivation. PMID:26093613

  11. Kinetic Modeling and Assessment of Lime Pretreatment of Poplar Wood 

    E-print Network

    Sierra Ramirez, Rocio

    2012-02-14

    , and last several minutes to hours. Pretreatment was assessed on the basis of 3-day enzymatic digestibility using enzyme loadings of 15 FPU/g glucan in raw biomass. The results were used to recommend pretreatment conditions based on highest overall yield... of glucan (after combined pretreatment and enzymatic hydrolysis) for each pretreatment mode. For each pretreatment mode, kinetic models for delignification and carbohydrates degradation were obtained and used to determine the conditions (temperature...

  12. Kinetic study and oxygen transfer efficiency evaluation using respirometric methods in a submerged membrane bioreactor using pure oxygen to supply the aerobic conditions.

    PubMed

    Rodríguez, Francisco A; Poyatos, José M; Reboleiro-Rivas, Patricia; Osorio, Francisco; González-López, Jesús; Hontoria, Ernesto

    2011-05-01

    The performance of a wastewater bench-scale ultrafiltration membrane bioreactor (MBR) treatment plant using pure oxygen to supply the aerobic conditions for 95 days was studied. The results showed the capacity of the MBR systems to remove organic material under a hydraulic retention time of 12h and a sludge retention time of 39.91 days. Aeration represents its major power input; this is why the alpha-factor of the aeration and kinetic parameters (design parameters) were determined when the mixed liquid suspended solids (MLSS) was increased from 3420 to 12,600 mg/l in order to understand the system. An alpha-factor in the range 0.462-0.022 and the kinetic parameters measured with the respirometric method (K(M) of 73.954-3.647 mg/l, k(d) of 0.0142-0.104 day(-1), k(H) of 0.1266-0.655 day(-1), and the yield mean coefficient of 0.941) were obtained. Our study suggested significant changes in the behaviour of the biological system when the concentration of MLSS was increased. PMID:21398118

  13. Influence of microwave irradiation on enzyme kinetics

    NASA Astrophysics Data System (ADS)

    Pavelki?, V. M.; Stanisavljev, D. R.; Gop?evi?, K. R.; Beljanski, M. V.

    2009-09-01

    The in vitro effect of 2.45 GHz microwave irradiation on porcine pepsin activity under controlled temperature and absorbed microwave power via kinetic parameters was evaluated. Kinetic study with respect of time of irradiation demonstrated the existence of an inactivation effect of microwaves at pH 2 on pepsin molecule. Bovine serum albumin (BSA)-bromphenol blue (BPB) complex was used as substrate for the assay of pepsin by kinetic method. Depending on absorbed microwave dose, the degree of caused inactivation varies from 39.11 to 45.91% for 5 and 20 min of pepsin MW irradiation, respectively. The V maxapp and K mapp were calculated for low (5 min of MW irradiation) and higher specific absorbed dose (20 min of MW irradiation), as well as for untreated enzyme, from double reciprocal Lineweaver-Burk plot. The effect of microwaves on substrate (BSA-BPB complex) was also investigated. For reaction performed with MW irradiated substrate for 5 min the reaction rate was decreased for 15.15%, while for 20 min of substrate irradiation reaction rate was decreased for 25.52% compared to the control reaction.

  14. Imperfect dark energy from kinetic gravity braiding

    SciTech Connect

    Deffayet, Cédric; Pujolàs, Oriol; Sawicki, Ignacy; Vikman, Alexander E-mail: oriol.pujolas@cern.ch E-mail: alexander.vikman@nyu.edu

    2010-10-01

    We introduce a large class of scalar-tensor models with interactions containing the second derivatives of the scalar field but not leading to additional degrees of freedom. These models exhibit peculiar features, such as an essential mixing of scalar and tensor kinetic terms, which we have named kinetic braiding. This braiding causes the scalar stress tensor to deviate from the perfect-fluid form. Cosmology in these models possesses a rich phenomenology, even in the limit where the scalar is an exact Goldstone boson. Generically, there are attractor solutions where the scalar monitors the behaviour of external matter. Because of the kinetic braiding, the position of the attractor depends both on the form of the Lagrangian and on the external energy density. The late-time asymptotic of these cosmologies is a de Sitter state. The scalar can exhibit phantom behaviour and is able to cross the phantom divide with neither ghosts nor gradient instabilities. These features provide a new class of models for Dark Energy. As an example, we study in detail a simple one-parameter model. The possible observational signatures of this model include a sizeable Early Dark Energy and a specific equation of state evolving into the final de-Sitter state from a healthy phantom regime.

  15. Kinetic characterization of the photosynthetic reaction centres in microalgae by means of fluorescence methodology.

    PubMed

    Gargano, Immacolata; Olivieri, Giuseppe; Spasiano, Danilo; Andreozzi, Roberto; Pollio, Antonino; Marotta, Raffaele; D'Ambrosio, Nicola; Marzocchella, Antonio

    2015-10-20

    The kinetic characterization of the photosynthetic activity in autotrophic microalgae plays a key role in the design of optimized photobioreactors. This paper presents a procedure to assess kinetic parameters of a three-state photosynthetic reaction centres model. Four kinetic parameters of the model were assessed by processing the time-series measurements of pulse-amplitude modulation fluorimetry. The kinetic parameters were assessed for several microalgal strains (Stichococcus bacillaris, Scenedesmus vacuolatus, Chlamydomonas reinhardtii, Chlorella vulgaris) growth in vertical and inclined bubble columns and irradiated by white-light or red/blue light. The procedure was successfully applied to the investigated strains. The assessed parameters allow identifying the irradiance range under which: the photochemical process is controlled by the photons capture; the photoinhibition competes with the photochemical quenching. The analysis of the time-scale of the photosynthetic reaction centres as a function of the irradiance allows interpreting the performances of photobioreactors characterized by non-homogeneous irradiance. PMID:26216180

  16. Electron yields from spacecraft materials

    NASA Technical Reports Server (NTRS)

    Yang, K.; Gordon, W. L.; Hoffman, R. W.

    1985-01-01

    Photoyields and secondary electron emission (SEE) characteristics were determined under UHV conditions for a group of insulating materials used in spacecraft applications. The SEE studies were carried out with a pulsed primary beam while photoyields were obtained with a chopped photon beam from a Kr resonance source with major emission at 123.6 nm. This provides a photon flux close to that of the Lyman alpha in the space environment. Yields per incident photon are obtained relative to those from a freshly evaporated and air oxidized Al surface. Results are presented for Kapton, FEP Teflon, the borosilicate glass covering of a shuttle tile, and spacesuit outer fabric.

  17. Unparticle effects in rare t{yields}cgg decay

    SciTech Connect

    Aliev, T. M.; Savci, M.; Bekmezci, A.

    2008-09-01

    In this work the flavor-changing, rare t{yields}cgg decay induced by mediation of scalar and tensor unparticles is studied. Using the standard model result for the branching ratio of the t{yields}cgg decay, the parameter space of d{sub U} and {lambda}{sub U}, where the branching ratio of this decay exceeds the one predicted by the standard model, is obtained. Measurement of the branching ratio larger than 10{sup -9} can give valuable information for establishing unparticle physics.

  18. Centrality dependence of freeze-out parameters from Au+Au collisions at $\\sqrt{s_{NN}}=$7.7, 11.5 and 39 GeV

    E-print Network

    Lokesh Kumar

    2012-01-20

    The RHIC beam energy scan program in its first phase collected data for Au+Au collisions at beam energies of 7.7, 11.5 and 39 GeV. The event statistics collected at these lower energies allow us to study the centrality dependence of various observables in detail, and compare to fixed-target experiments at SPS for similar beam energies. The chemical and kinetic freeze-out parameters can be extracted from the experimentally measured yields of identified hadrons within the framework of thermodynamical models. These then provide information about the system at the stages of the expansion where inelastic and elastic collisions of the constituents cease. We present the centrality dependence of freeze-out parameters for Au+Au collisions at midrapidity for $\\sqrt{s_{NN}} = 7.7$, 11.5, and 39 GeV from the STAR experiment. The chemical freeze-out conditions are obtained by comparing the measured particle ratios (involving $\\pi$, $K$, $p$, and $\\bar{p}$) to those from the statistical thermal model calculations. The kinetic freeze-out conditions are extracted at these energies by simultaneously fitting the invariant yields of identified hadrons ($\\pi$, $K$, and $p$) using Blast Wave model calculations.

  19. Imaging quality full chip verification for yield improvement

    NASA Astrophysics Data System (ADS)

    Yang, Qing; Zhou, CongShu; Quek, ShyueFong; Lu, Mark; Foong, YeeMei; Qiu, JianHong; Pandey, Taksh; Dover, Russell

    2013-04-01

    Basic image intensity parameters, like maximum and minimum intensity values (Imin and Imax), image logarithm slope (ILS), normalized image logarithm slope (NILS) and mask error enhancement factor (MEEF) , are well known as indexes of photolithography imaging quality. For full chip verification, hotspot detection is typically based on threshold values for line pinching or bridging. For image intensity parameters it is generally harder to quantify an absolute value to define where the process limit will occur, and at which process stage; lithography, etch or post- CMP. However it is easy to conclude that hot spots captured by image intensity parameters are more susceptible to process variation and very likely to impact yield. In addition these image intensity hot spots can be missed by using resist model verification because the resist model normally is calibrated by the wafer data on a single resist plane and is an empirical model which is trying to fit the resist critical dimension by some mathematic algorithm with combining optical calculation. Also at resolution enhancement technology (RET) development stage, full chip imaging quality check is also a method to qualify RET solution, like Optical Proximity Correct (OPC) performance. To add full chip verification using image intensity parameters is also not as costly as adding one more resist model simulation. From a foundry yield improvement and cost saving perspective, it is valuable to quantify the imaging quality to find design hot spots to correctly define the inline process control margin. This paper studies the correlation between image intensity parameters and process weakness or catastrophic hard failures at different process stages. It also demonstrated how OPC solution can improve full chip image intensity parameters. Rigorous 3D resist profile simulation across the full height of the resist stack was also performed to identify a correlation to the image intensity parameter. A methodology of post-OPC full chip verification is proposed for improving OPC quality at RET development stage and for inline process control and yield improvement at production stage.

  20. 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.

  1. Extraction of kinetic freeze-out properties and effect of resonance decays

    E-print Network

    Levente Molnar

    2005-07-21

    We present STAR results from identified particle spectra measured in $\\sqrt{s_{NN}}$ = 62.4 GeV Au-Au collisions. Particle production and system dynamics are compared to results at $\\sqrt{s_{NN}}$ = 200 GeV. We extract kinetic and chemical freeze-out parameters using blast wave model parameterization and statistical model. We discuss the effect of resonance decays on the extracted kinetic freeze-out parameters.

  2. Crop diversity for yield increase.

    PubMed

    Li, Chengyun; He, Xiahong; Zhu, Shusheng; Zhou, Huiping; Wang, Yunyue; Li, Yan; Yang, Jing; Fan, Jinxiang; Yang, Jincheng; Wang, Guibin; Long, Yunfu; Xu, Jiayou; Tang, Yongsheng; Zhao, Gaohui; Yang, Jianrong; Liu, Lin; Sun, Yan; Xie, Yong; Wang, Haining; Zhu, Youyong

    2009-01-01

    Traditional farming practices suggest that cultivation of a mixture of crop species in the same field through temporal and spatial management may be advantageous in boosting yields and preventing disease, but evidence from large-scale field testing is limited. Increasing crop diversity through intercropping addresses the problem of increasing land utilization and crop productivity. In collaboration with farmers and extension personnel, we tested intercropping of tobacco, maize, sugarcane, potato, wheat and broad bean--either by relay cropping or by mixing crop species based on differences in their heights, and practiced these patterns on 15,302 hectares in ten counties in Yunnan Province, China. The results of observation plots within these areas showed that some combinations increased crop yields for the same season between 33.2 and 84.7% and reached a land equivalent ratio (LER) of between 1.31 and 1.84. This approach can be easily applied in developing countries, which is crucial in face of dwindling arable land and increasing food demand. PMID:19956624

  3. Kinetics of Social Contagion

    E-print Network

    Ruan, Zhongyuan; Karsai, Marton; Kertesz, Janos

    2015-01-01

    Diffusion of information, behavioural patterns or innovations follows diverse pathways depending on a number of conditions, including the structure of the underlying social network, the sensitivity to peer pressure and the influence of media. Here we study analytically and by simulations a general model that incorporates threshold mechanism capturing sensitivity to peer pressure, the effect of `immune' nodes who never adopt, and a perpetual flow of external information. While any constant, non-zero rate of dynamically-introduced innovators leads to global spreading, the kinetics by which the asymptotic state is approached show rich behaviour. In particular we find that, as a function of the density of immune nodes, there is a transition from fast to slow spreading governed by entirely different mechanisms. This transition happens below the percolation threshold of fragmentation of the network, and has its origin in the competition between cascading behaviour induced by innovators and blocking of adoption due ...

  4. Kinetic inductance magnetometer

    NASA Astrophysics Data System (ADS)

    Luomahaara, Juho; Vesterinen, Visa; Grönberg, Leif; Hassel, Juha

    2014-09-01

    Sensing ultra-low magnetic fields has various applications in the fields of science, medicine and industry. There is a growing need for a sensor that can be operated in ambient environments where magnetic shielding is limited or magnetic field manipulation is involved. To this end, here we demonstrate a new magnetometer with high sensitivity and wide dynamic range. The device is based on the current nonlinearity of superconducting material stemming from kinetic inductance. A further benefit of our approach is of extreme simplicity: the device is fabricated from a single layer of niobium nitride. Moreover, radio frequency multiplexing techniques can be applied, enabling the simultaneous readout of multiple sensors, for example, in biomagnetic measurements requiring data from large sensor arrays.

  5. Kinetics of Social Contagion

    NASA Astrophysics Data System (ADS)

    Ruan, Zhongyuan; Iñiguez, Gerardo; Karsai, Márton; Kertész, János

    2015-11-01

    Diffusion of information, behavioral patterns or innovations follows diverse pathways depending on a number of conditions, including the structure of the underlying social network, the sensitivity to peer pressure and the influence of media. Here we study analytically and by simulations a general model that incorporates threshold mechanism capturing sensitivity to peer pressure, the effect of "immune" nodes who never adopt, and a perpetual flow of external information. While any constant, nonzero rate of dynamically introduced spontaneous adopters leads to global spreading, the kinetics by which the asymptotic state is approached shows rich behavior. In particular, we find that, as a function of the immune node density, there is a transition from fast to slow spreading governed by entirely different mechanisms. This transition happens below the percolation threshold of network fragmentation, and has its origin in the competition between cascading behavior induced by adopters and blocking due to immune nodes. This change is accompanied by a percolation transition of the induced clusters.

  6. Superconducting kinetic inductance radiometer

    SciTech Connect

    Sauvageau, J.E.; McDonald, D.G.; Grossman, E.N. )

    1991-03-01

    We are developing a bolometer based on a differential thermometer that senses temperature changes through changes in the kinetic inductance of a superconducting thin film. The temperature transducer is an inductance bridge patterned as an integrated circuit on a 1 cm{sup 2} Si substrate. Two inductors from opposite arms of the bridge are patterned on a 2 mm{sup 2} thermally isolated Si island which is supported by a 9 {mu}m thick Si:B membrane. The bridge is excited with audio frequency current and the bridge imbalance is detected with a commercial DC SQUID amplifier. The bridge is balanced by applying power to the thermally isolated island. This thermometer is the sensor for a prototype radiometer that will provide an absolute measure of IR power.

  7. Sorption kinetics and its effects on retention and leaching.

    PubMed

    de Wilde, Tineke; Mertens, Jan; Spanoghe, Pieter; Ryckeboer, Jaak; Jaeken, Peter; Springael, Dirk

    2008-06-01

    Sorption of pesticides to substrates used in biopurification systems is important as it controls the system's efficiency. Ideally, pesticide sorption should occur fast so that leaching of the pesticide in the biopurification system is minimized. Although modeling of pesticide transport commonly assumes equilibrium, this may not always be true in practice. Sorption kinetics have to be taken into account. This study investigated the batch sorption kinetics of linuron, isoproturon, metalaxyl, isoxaben and lenacil on substrates commonly used in a biopurification system, i.e. cow manure, straw, willow chopping, sandy loam soil, coconut chips, garden waste compost and peat mix. The first-order sorption kinetics model was fitted to the observed pesticide concentrations versus time resulting in an estimated kinetic rate constant alpha. Sorption appeared to be fast for the pesticides linuron and isoxaben, pesticides which were classified as immobile, while less mobile pesticides displayed an overall slower sorption. However, the substrate does not seem to be the main parameter influencing the sorption kinetics. Coconut chips, which is a substrate with a high organic matter content showed slow sorption for most of the pesticides. The effect of different estimated alpha values on the breakthrough of pesticides through a biopurification system was evaluated using the HYDRUS 1D model. Significant differences in leaching behavior were observed as a result of the obtained differences in sorption kinetics. PMID:18413279

  8. High temperature steam gasification of solid wastes: Characteristics and kinetics

    NASA Astrophysics Data System (ADS)

    Gomaa, Islam Ahmed

    Greater use of renewable energy sources is of pinnacle importance especially with the limited reserves of fossil fuels. It is expected that future energy use will have increased utilization of different energy sources, including biomass, municipal solid wastes, industrial wastes, agricultural wastes and other low grade fuels. Gasification is a good practical solution to solve the growing problem of landfills, with simultaneous energy extraction and nonleachable minimum residue. Gasification also provides good solution to the problem of plastics and rubber in to useful fuel. The characteristics and kinetics of syngas evolution from the gasification of different samples is examined here. The characteristics of syngas based on its quality, distribution of chemical species, carbon conversion efficiency, thermal efficiency and hydrogen concentration has been examined. Modeling the kinetics of syngas evolution from the process is also examined. Models are compared with the experimental results. Experimental results on the gasification and pyrolysis of several solid wastes, such as, biomass, plastics and mixture of char based and plastic fuels have been provided. Differences and similarities in the behavior of char based fuel and a plastic sample has been discussed. Global reaction mechanisms of char based fuel as well polystyrene gasification are presented based on the characteristic of syngas evolution. The mixture of polyethylene and woodchips gasification provided superior results in terms of syngas yield, hydrogen yield, total hydrocarbons yield, energy yield and apparent thermal efficiency from polyethylene-woodchips blends as compared to expected weighed average yields from gasification of the individual components. A possible interaction mechanism has been established to explain the synergetic effect of co-gasification of woodchips and polyethylene. Kinetics of char gasification is presented with special consideration of sample temperature, catalytic effect of ash, geometric changes of pores inside char and diffusion limitations inside and outside the char particle.

  9. Semi-gas kinetics model for performance modeling of flowing chemical oxygen-iodine lasers (COIL)

    NASA Astrophysics Data System (ADS)

    Gao, Zhi; Hu, Limin; Shen, Yiqing

    2004-05-01

    A semi-gas kinetics (SGK) model for performance analyses of flowing chemical oxygen-iodine laser (COIL) is presented. In this model, the oxygen-iodine reaction gas flow is treated as a continuous medium, and the effect of thermal motions of particles of different laser energy levels on the performances of the COIL is included and the velocity distribution function equations are solved by using the double-parameter perturbational method. For a premixed flow, effects of different chemical reaction systems, different gain saturation models and temperature, pressure, yield of excited oxygen, iodine concentration and frequency-shift on the performances of the COIL are computed, and the calculated output power agrees well with the experimental data. The results indicate that the power extraction of the SGK model considering 21 reactions is close to those when only the reversible pumping reaction is considered, while different gain saturation, models and adjustable parameters greatly affect the output power, the optimal threshold gain range, and the length of power extraction.

  10. Modeling metabolic networks in C. glutamicum: a comparison of rate laws in combination with various parameter optimization strategies

    PubMed Central

    Dräger, Andreas; Kronfeld, Marcel; Ziller, Michael J; Supper, Jochen; Planatscher, Hannes; Magnus, Jørgen B; Oldiges, Marco; Kohlbacher, Oliver; Zell, Andreas

    2009-01-01

    Background To understand the dynamic behavior of cellular systems, mathematical modeling is often necessary and comprises three steps: (1) experimental measurement of participating molecules, (2) assignment of rate laws to each reaction, and (3) parameter calibration with respect to the measurements. In each of these steps the modeler is confronted with a plethora of alternative approaches, e. g., the selection of approximative rate laws in step two as specific equations are often unknown, or the choice of an estimation procedure with its specific settings in step three. This overall process with its numerous choices and the mutual influence between them makes it hard to single out the best modeling approach for a given problem. Results We investigate the modeling process using multiple kinetic equations together with various parameter optimization methods for a well-characterized example network, the biosynthesis of valine and leucine in C. glutamicum. For this purpose, we derive seven dynamic models based on generalized mass action, Michaelis-Menten and convenience kinetics as well as the stochastic Langevin equation. In addition, we introduce two modeling approaches for feedback inhibition to the mass action kinetics. The parameters of each model are estimated using eight optimization strategies. To determine the most promising modeling approaches together with the best optimization algorithms, we carry out a two-step benchmark: (1) coarse-grained comparison of the algorithms on all models and (2) fine-grained tuning of the best optimization algorithms and models. To analyze the space of the best parameters found for each model, we apply clustering, variance, and correlation analysis. Conclusion A mixed model based on the convenience rate law and the Michaelis-Menten equation, in which all reactions are assumed to be reversible, is the most suitable deterministic modeling approach followed by a reversible generalized mass action kinetics model. A Langevin model is advisable to take stochastic effects into account. To estimate the model parameters, three algorithms are particularly useful: For first attempts the settings-free Tribes algorithm yields valuable results. Particle swarm optimization and differential evolution provide significantly better results with appropriate settings. PMID:19144170

  11. Group-kinetic theory of turbulence

    NASA Technical Reports Server (NTRS)

    Tchen, C. M.

    1986-01-01

    The two phases are governed by two coupled systems of Navier-Stokes equations. The couplings are nonlinear. These equations describe the microdynamical state of turbulence, and are transformed into a master equation. By scaling, a kinetic hierarchy is generated in the form of groups, representing the spectral evolution, the diffusivity and the relaxation. The loss of memory in formulating the relaxation yields the closure. The network of sub-distributions that participates in the relaxation is simulated by a self-consistent porous medium, so that the average effect on the diffusivity is to make it approach equilibrium. The kinetic equation of turbulence is derived. The method of moments reverts it to the continuum. The equation of spectral evolution is obtained and the transport properties are calculated. In inertia turbulence, the Kolmogoroff law for weak coupling and the spectrum for the strong coupling are found. As the fluid analog, the nonlinear Schrodinger equation has a driving force in the form of emission of solitons by velocity fluctuations, and is used to describe the microdynamical state of turbulence. In order for the emission together with the modulation to participate in the transport processes, the non-homogeneous Schrodinger equation is transformed into a homogeneous master equation. By group-scaling, the master equation is decomposed into a system of transport equations, replacing the Bogoliubov system of equations of many-particle distributions. It is in the relaxation that the memory is lost when the ensemble of higher-order distributions is simulated by an effective porous medium. The closure is thus found. The kinetic equation is derived and transformed into the equation of spectral flow.

  12. Fully kinetic simulations of dense plasma focus Z-pinch devices.

    PubMed

    Schmidt, A; Tang, V; Welch, D

    2012-11-16

    Dense plasma focus Z-pinch devices are sources of copious high energy electrons and ions, x rays, and neutrons. The mechanisms through which these physically simple devices generate such high-energy beams in a relatively short distance are not fully understood. We now have, for the first time, demonstrated a capability to model these plasmas fully kinetically, allowing us to simulate the pinch process at the particle scale. We present here the results of the initial kinetic simulations, which reproduce experimental neutron yields (~10(7)) and high-energy (MeV) beams for the first time. We compare our fluid, hybrid (kinetic ions and fluid electrons), and fully kinetic simulations. Fluid simulations predict no neutrons and do not allow for nonthermal ions, while hybrid simulations underpredict neutron yield by ~100x and exhibit an ion tail that does not exceed 200 keV. Only fully kinetic simulations predict MeV-energy ions and experimental neutron yields. A frequency analysis in a fully kinetic simulation shows plasma fluctuations near the lower hybrid frequency, possibly implicating lower hybrid drift instability as a contributor to anomalous resistivity in the plasma. PMID:23215497

  13. 7682 Biochemistry 1988, 27, 7682-7688 Kinetic Properties of the Binding of a-Lytic Protease to Peptide Boronic Acids

    E-print Network

    Agard, David

    7682 Biochemistry 1988, 27, 7682-7688 Kinetic Properties of the Binding of a-Lytic Protease Manuscript Received July 7, 1988 ABSTRACT: The kinetic parameters for peptide boronic acids, than the tetrapeptide analogue. The kinetic properties of the tri- and tetrapeptide analogues

  14. The Stratospheric Kinetic Inductance Polarimeter (SKIP)

    NASA Astrophysics Data System (ADS)

    Flanigan, Daniel; Ade, P.; Araujo, D.; Bradford, K. J.; Chapman, D.; Che, G.; Day, P.; Didier, J.; Doyle, S.; Eriksen, H.; Groppi, C. E.; Hillbrand, S. N.; Johnson, B.; Jones, G.; Limon, M.; Mauskopf, P.; McCarrick, H.; Miller, A. D.; Mroczkowski, T.; Reichborn-Kjennerud, B.; Smiley, B.; Sobrin, J.; Wehus, I. K.; Zmuidzinas, J.

    2014-01-01

    We discuss the Stratospheric Kinetic Inductance Polarimeter (SKIP). SKIP is a proposed balloon-borne experiment designed to study the cosmic microwave background, the cosmic infrared background, and Galactic dust emission by observing 1100 square degrees of sky in the Northern Hemisphere with launches from Kiruna, Sweden. The instrument contains 2317 single-polarization, horn-coupled, aluminum lumped-element kinetic inductance detectors (LEKIDs), which will be maintained at 100 mK by an adiabatic demagnetization refrigerator. The polarimeter will operate in two configurations, one sensitive to a spectral band centered on 150 GHz and the other sensitive to 260 and 350 GHz bands. The detector readout system is based on the ROACH-1 board, and the detectors will be biased below 300 MHz. The detector array is fed by an F/2.4 crossed-Dragone telescope with a 500 mm aperture yielding a 15 arcminute full-width half-maximum beam at 150 GHz. To minimize detector loading and maximize sensitivity, the entire optical system will be cooled to 1 K. Linearly polarized sky signals will be modulated with a metal-mesh half-wave plate that is mounted at the telescope aperture and is rotated on a superconducting magnetic bearing. The observation program consists of two or more five-day flights, and 150 GHz observations are planned to begin in 2017.

  15. Kinetic modeling of brewery's spent grain autohydrolysis.

    PubMed

    Carvalheiro, Florbela; Garrote, Gil; Parajó, Juan Carlos; Pereira, Helena; Gírio, Francisco M

    2005-01-01

    Isothermal autohydrolysis treatments of brewery's spent grain were used as a method for hemicellulose solubilization and xylo-oligosaccharides production. The time course of the concentrations of residual hemicelluloses (made up of xylan and arabinan) and reaction products were determined in experiments carried out at temperatures in the range from 150 to 190 degrees C using liquid-to-solid ratios of 8 and 10 g/g. To model the experimental findings concerning to brewery's spent grain autohydrolysis several kinetic models based on sequential pseudo-homogeneous first-order reactions were tested. Xylan and arabinan were assumed to yield oligosaccharides, monosaccharides (xylose or arabinose), furfural, and other decomposition products in consecutive reaction steps. The models proposed provide a satisfactory interpretation of the hydrolytic conversion of xylan and arabinan. An additional model merging the two proposed models for xylan and arabinan degradation assuming that furfural was formed from both pentoses was developed and the results obtained are discussed. The dependence of the calculated kinetic coefficients on temperature was established using Arrhenius-type equations. PMID:15903262

  16. Precision measurement of the direct CP violation parameter {var_epsilon}{prime}/{var_epsilon} via the four K {yields} 2{pi} decay modes and a high sensitivity search for CP violating rare K{sub L} decays, Task J. Progress report, May 1, 1991--April 30, 1992

    SciTech Connect

    Wah, Yau W.

    1992-04-01

    This report discusses the progress on the measurement of the direct CP violation parameter {var_epsilon}{prime}/{var_epsilon} and the rare KL decay. The progress has been as follows: (A) results from the complete E731 data set which was collected in the 1987/88 fixed target run; preparations for and the taking of the data for (B) E773 (CPT symmetry test) and (C) E799 (rare decay study); and finally (D) R&D for a new detector to further study {var_epsilon}{prime}/{var_epsilon} and rate decays.

  17. Kinetics of exciplex formation/dissipation in reaction following Weller Scheme II

    SciTech Connect

    Fedorenko, S. G.; Burshtein, A. I.

    2014-09-21

    Creation of exciplexes from the charged products of photoionization is considered by means of Integral Encounter Theory. The general kinetic equations of such a reaction following the Weller scheme II are developed. The special attention is given to the particular case of irreversible remote ionization of primary excited electron donor. Kinetics of exciplex formation is considered at fast biexponential geminate transformation of exciplexes in cage that gives way to subsequent bulk reaction of equilibrated reaction products controlled by power law recombination of ions. It is shown that the initial geminate stage of exciplex kinetics is observed only in diffusion controlled regime of the reaction and disappears with increasing mobility of ions in passing to kinetic regime. The quantum yield of exciplexes is studied along with their kinetics.

  18. The relationship between the Wigner-Weyl kinetic formalism and the complex geometrical optics method

    E-print Network

    Omar Maj

    2005-11-04

    The relationship between two different asymptotic techniques developed in order to describe the propagation of waves beyond the standard geometrical optics approximation, namely, the Wigner-Weyl kinetic formalism and the complex geometrical optics method, is addressed. More specifically, a solution of the wave kinetic equation, relevant to the Wigner-Weyl formalism, is obtained which yields the same wavefield intensity as the complex geometrical optics method. Such a relationship is also discussed on the basis of the analytical solution of the wave kinetic equation specific to Gaussian beams of electromagnetic waves propagating in a ``lens-like'' medium for which the complex geometrical optics solution is already available.

  19. A study of the Sabatier-methanation reaction kinetics

    NASA Technical Reports Server (NTRS)

    Verostko, C. E.; Forsythe, R. K.

    1974-01-01

    The kinetics of the Sabatier methanation reaction, the reduction of carbon dioxide with hydrogen to methane and water, was investigated for 58 percent nickel on kieselguhr catalyst and 20 percent ruthenium on alumina catalyst. Differential rate data from an experimental program were correlated with a power function rate equation both for forward and reverse reactions. The kinetic parameters of activation energy, frequency rate constant and reaction order were determined for the rate equation. The values of these parameters were obtained from an Arrhenius plot of the experimental differential rate data. Also the carbon monoxide side reaction effect was measured and included in the correlation of parameters. The reaction was found to fit the rate equation experimentally within the temperature range 421 K, where the reaction effectively begins, the 800 K where the reaction rate drops and departs from the rate equation form.

  20. NMR analysis of base-pair opening kinetics in DNA.

    PubMed

    Szulik, Marta W; Voehler, Markus; Stone, Michael P

    2014-01-01

    Base pairing in nucleic acids plays a crucial role in their structure and function. Differences in the base-pair opening and closing kinetics of individual double-stranded DNA sequences or between chemically modified base pairs provide insight into the recognition of these base pairs by DNA processing enzymes. This unit describes how to quantify the kinetics for localized base pairs by observing changes in the imino proton signals by nuclear magnetic resonance spectroscopy. The determination of all relevant parameters using state-of-the art techniques and NMR instrumentation, including cryoprobes, is discussed. © 2014 by John Wiley & Sons, Inc. PMID:25501592

  1. Spectroscopy and kinetics of combustion gases at high temperatures

    SciTech Connect

    Hanson, R.K.; Bowman, C.T.

    1993-12-01

    This program involves two complementary activities: (1) development and application of cw ring dye laser absorption methods for sensitive detection of radical species and measurement of fundamental spectroscopic parameters at high temperatures; and (2) shock tube studies of reaction kinetics relevant to combustion. Species currently under investigation in the spectroscopic portion of the research include NO and CH{sub 3}; this has necessitated the continued operated at wavelengths in the range 210-230 nm. Shock tube studies of reaction kinetics currently are focussed on reactions involving CH{sub 3} radicals.

  2. Kinetics of exciton photoluminescence in type-II semiconductor superlattices

    NASA Astrophysics Data System (ADS)

    Braginsky, L. S.; Zaharov, M. Yu.; Gilinsky, A. M.; Preobrazhenskii, V. V.; Putyato, M. A.; Zhuravlev, K. S.

    2001-05-01

    The exciton decay rate at a rough interface in type-II semiconductor superlattices is investigated. It is shown that the possibility of recombination of the indirect excitons at a plane interface essentially affects the kinetics of the exciton photoluminescence at a rough interface. This is the result of the quantum interference of electrons scattered from the plane interface and at the roughnesses. Expressions that relate the parameters of the luminescence kinetics with the statistical characteristics of the rough interface are obtained. The mean height and length of the roughnesses in GaAs/AlAs superlattices are estimated from the experimental data.

  3. The Kinetic Behavior of Benzaldehyde under Hydrothermal Conditions

    NASA Astrophysics Data System (ADS)

    Fecteau, K.; Gould, I.; Hartnett, H. E.; Williams, L. B.; Shock, E.

    2013-12-01

    Aldehydes represent an intermediate redox state between alcohols and carboxylic acids and are likely intermediates in the transformation of organic compounds in natural systems. We have conducted kinetic studies of a model aldehyde, benzaldehyde, in high-temperature water (250-350 °C, saturation pressure) in clear fused quartz (CFQ) autoclaves. Under these conditions, benzaldehyde is observed to undergo a disproportionation reaction to benzyl alcohol and benzoic acid reminiscent of the base-catalyzed Cannizzaro reaction known to occur at cooler temperatures. Benzene is also produced via decarbonylation of the aldehyde. We have obtained pseudo second-order rate constants for the decomposition of benzaldehyde at 250, 300, and 350 °C. Rates derived via repeated heating phases and subsequent quantitative 13C-NMR spectroscopy of a single NMR-compatible CFQ tube containing isotopically labeled benzaldehyde are consistent with those obtained by analysis of product suites from individual timed experiments via gas chromatography. Arrhenius parameters for these rate constants are consistent with published values for the reaction under supercritical conditions from one study (Tsao et al. 1992) yet the pre-exponential factor is approximately 7 orders of magnitude smaller than that derived from another study (Ikushima et al. 2001). Moreover, fitting our rate constants with the Eyring equation yields an entropy of activation (?S‡) of -26.6 kcal mol-1 K-1, which is consistent for a bimolecular transition state at the rate-limiting step. In contrast, the rates of Ikushima et al. yield a positive value of ?S‡, which is inconsistent with the putative mechanism for the reaction. The linear Arrhenius behavior of the decomposition of benzaldehyde from high-temperature liquid to supercritical conditions demonstrates the potential for extrapolating experimentally derived rates of reactions for organic functional group transformations to conditions where diagenesis, alteration, metamorphism, and other hydrothermal processes of interest occur in natural systems. References Ikushima, Y., K. Hatakeda, O. Sato, T. Yokoyama, and M. Arai. 2001. Structure and base catalysis of supercritical water in the noncatalytic benzaldehyde disproportionation using water at high temperatures and pressures. Angewandte Chemie, 40, 210-213. Tsao, C.C., Y. Zhou, X. Liu, and T.J. Houser. 1992. Reactions of supercritical water with benzaldehyde, benzylidenebenzylamine, benzyl alcohol, and benzoic acid. The Journal of Supercritical Fluids, 5, 107-113.

  4. Guest Molecule Exchange Kinetics for the 2012 Ignik Sikumi Gas Hydrate Field Trial

    SciTech Connect

    White, Mark D.; Lee, Won Suk

    2014-05-14

    A commercially viable technology for producing methane from natural gas hydrate reservoirs remains elusive. Short-term depressurization field tests have demonstrated the potential for producing natural gas via dissociation of the clathrate structure, but the long-term performance of the depressurization technology ultimately requires a heat source to sustain the dissociation. A decade of laboratory experiments and theoretical studies have demonstrated the exchange of pure CO2 and N2-CO2 mixtures with CH4 in sI gas hydrates, yielding critical information about molecular mechanisms, recoveries, and exchange kinetics. Findings indicated the potential for producing natural gas with little to no production of water and rapid exchange kinetics, generating sufficient interest in the guest-molecule exchange technology for a field test. In 2012 the U.S. DOE/NETL, ConocoPhillips Company, and Japan Oil, Gas and Metals National Corporation jointly sponsored the first field trial of injecting a mixture of N2-CO2 into a CH4-hydrate bearing formation beneath the permafrost on the Alaska North Slope. Known as the Ignik Sikumi #1 Gas Hydrate Field Trial, this experiment involved three stages: 1) the injection of a N2-CO2 mixture into a targeted hydrate-bearing layer, 2) a 4-day pressurized soaking period, and 3) a sustained depressurization and fluid production period. Data collected during the three stages of the field trial were made available after an extensive quality check. These data included continuous temperature and pressure logs, injected and recovered fluid compositions and volumes. The Ignik Sikumi #1 data set is extensive, but contains no direct evidence of the guest-molecule exchange process. This investigation is directed at using numerical simulation to provide an interpretation of the collected data. A numerical simulator, STOMP-HYDT-KE, was recently completed that solves conservation equations for energy, water, mobile fluid guest molecules, and hydrate guest molecules, for up to three gas hydrate guest molecules: CH4, CO2, and N2. The independent tracking of mobile fluid and hydrate guest molecules allows for the kinetic exchange of guest molecules between the mobile fluids and hydrate. The particular interest of this numerical investigation is to determine whether kinetic exchange parameters, determined from laboratory-scale experiments, are directly applicable to interpreting the Ignik Sikumi #1 data.

  5. Droplet Growth Kinetics in Various Environments

    NASA Astrophysics Data System (ADS)

    Raatikainen, T. E.; Lathem, T. L.; Moore, R.; Lin, J. J.; Cerully, K. M.; Padro, L.; Lance, S.; Cozic, J.; Anderson, B. E.; Nenes, A.

    2012-12-01

    The largest uncertainties in the effects of atmospherics aerosols on the global radiation budget are related to their indirect effects on cloud properties (IPCC, the Fourth Assessment Report of the Intergovernmental Panel on Climate Change, 2007). Cloud formation is a kinetic process where the resulting cloud properties depend on aerosol properties and meteorological parameters such as updraft velocity (e.g. McFiggans et al., Atmos. Chem. Phys., 6, 2593-2649, 2006). Droplet growth rates are limited by the water vapor diffusion, but additional kinetic limitations, e.g., due to organic surface films, slow solute dissociation or highly viscous or glassy aerosol states have been hypothesized. Significant additional kinetic limitations can lead to increased cloud droplet number concentration, thus the effect is similar to those of increased aerosol number concentration or changes in vertical velocity (e.g. Nenes et al., Geophys. Res. Lett., 29, 1848, 2002). There are a few studies where slow droplet growth has been observed (e.g. Ruehl et al., Geophys. Res. Lett., 36, L15814, 2009), however, little is currently known about their global occurrence and magnitude. Cloud micro-physics models often describe kinetic limitations by an effective water vapor uptake coefficient or similar parameter. Typically, determining aerosol water vapor uptake coefficients requires experimental observations of droplet growth which are interpreted by a numerical droplet growth model where the uptake coefficient is an adjustable parameter (e.g. Kolb et al., Atmos. Chem. Phys., 10, 10561-10605, 2010). Such methods have not been practical for high time-resolution or long term field measurements, until a model was recently developed for analyzing Droplet Measurement Technologies (DMT) cloud condensation nuclei (CCN) counter data (Raatikainen et al., Atmos. Chem. Phys., 12, 4227-4243, 2012). Model verification experiments showed that the calibration aerosol droplet size can be predicted accurately for various instrument settings and also in the case of high CCN concentrations when water vapor depletion decreases supersaturation and droplet size (Lathem and Nenes, Aerosol Sci. Tech., 45, 604-615, 2011). The model also accounts for aerosol hygroscopicity and size distribution variations, which can have significant effects on the droplet size. We have examined cloud droplet activation and growth kinetics by analyzing several DMT CCN counter data sets collected from various environments including boreal forests, arctic areas, fresh and aged biomass burning plumes, and polluted and biogenically influenced urban areas (Raatikainen et al., In preparation, 2012). Model simulations show that the variations in observed droplet size are caused by water vapor depletion effects, changes in dry particle size distributions and hygroscopicity, and changes in instrument supersaturation profiles. This means that fast droplet growth kinetics with water uptake coefficient close to 0.2 is prevalent at least for the studied environments.

  6. Top ten models constrained by b {yields} s{gamma}

    SciTech Connect

    Hewett, J.L.

    1994-05-01

    The radiative decay b {yields} s{gamma} is examined in the Standard Model and in nine classes of models which contain physics beyond the Standard Model. The constraints which may be placed on these models from the recent results of the CLEO Collaboration on both inclusive and exclusive radiative B decays is summarized. Reasonable bounds are found the parameters in some of the models.

  7. Determination of thermal neutron capture gamma yields.

    E-print Network

    Harper, Thomas Lawrence

    1969-01-01

    A method of analysing Ge(Li) thermal neutron capture gamma spectra to obtain total gamma yields has been developed. Tie method determines both the yields from the well resolved gamma peaks in a spectrum as well as the gamma ...

  8. Determination of thermal neutron capture gamma yields

    E-print Network

    Harper, Thomas Lawrence

    1969-01-01

    A method of analysing Ge(Li) thermal neutron capture gamma spectra to obtain total gamma yields has been developed. Tie method determines both the yields from the well resolved gamma peaks in a spectrum as well as the gamma ...

  9. Reservations forecasting in airline yield management

    E-print Network

    Sa, Joao

    1987-01-01

    This report shows the application of Regression Analysis in reservations forecasting in airline yield management. The first three chapters highlight the need for yield management and the automation of seat inventory control. ...

  10. Yield model development project implementation plan

    NASA Technical Reports Server (NTRS)

    Ambroziak, R. A.

    1982-01-01

    Tasks remaining to be completed are summarized for the following major project elements: (1) evaluation of crop yield models; (2) crop yield model research and development; (3) data acquisition processing, and storage; (4) related yield research: defining spectral and/or remote sensing data requirements; developing input for driving and testing crop growth/yield models; real time testing of wheat plant process models) and (5) project management and support.

  11. A greedy algorithm for yield surface approximation

    NASA Astrophysics Data System (ADS)

    Bleyer, Jérémy; de Buhan, Patrick

    This Note presents an approximation method for convex yield surfaces in the framework of yield design theory. The proposed algorithm constructs an approximation using a convex hull of ellipsoids such that the approximate criterion can be formulated in terms of second-order conic constraints. The algorithm can treat bounded as well as unbounded yield surfaces. Its efficiency is illustrated on two yield surfaces obtained using up-scaling procedures.

  12. Effect of the Initial Load Parameters on the K-shell Output of Al Planar Wire Arrays Operating in the Microsecond Implosion Regime

    NASA Astrophysics Data System (ADS)

    Shishlov, A.; Chaikovsky, S.; Fedunin, A.; Fursov, F.; Kokshenev, V.; Kurmaev, N.; Labetsky, A.; Oreshkin, V.; Rousskikh, A.; Labetskaya, N.

    2009-01-01

    A set of microsecond implosion experiments was carried on the GIT-12 generator to study the radiative performance of Al planar wire arrays. The load parameters such as a wire diameter, a gap between the wires, the number of wires, and the total planar wire mass and width were varied during the experiments, however the implosion time and the peak implosion current were almost the same for all load configurations. This ensured equal energy deposition to the plasma due to kinetic mechanisms for all load configurations. Two implosion regimes with the implosion times of 1050 ns and 850 ns were investigated. The experimental data on the K-shell radiation yield and power at varying load parameters are presented.

  13. Effect of the Initial Load Parameters on the K-shell Output of Al Planar Wire Arrays Operating in the Microsecond Implosion Regime

    SciTech Connect

    Shishlov, A.; Chaikovsky, S.; Fedunin, A.; Fursov, F.; Kokshenev, V.; Kurmaev, N.; Labetsky, A.; Oreshkin, V.; Rousskikh, A.; Labetskaya, N.

    2009-01-21

    A set of microsecond implosion experiments was carried on the GIT-12 generator to study the radiative performance of Al planar wire arrays. The load parameters such as a wire diameter, a gap between the wires, the number of wires, and the total planar wire mass and width were varied during the experiments, however the implosion time and the peak implosion current were almost the same for all load configurations. This ensured equal energy deposition to the plasma due to kinetic mechanisms for all load configurations. Two implosion regimes with the implosion times of 1050 ns and 850 ns were investigated. The experimental data on the K-shell radiation yield and power at varying load parameters are presented.

  14. Planet Diversity Yields with Space-based Direct Imaging Telescopes

    NASA Astrophysics Data System (ADS)

    Domagal-Goldman, Shawn; Kopparapu, Ravi Kumar; Hébrard, Eric; Stark, Chris; Robinson, Tyler D.; Roberge, Aki; Mandell, Avi; McElwain, Michael W.; Clampin, Mark; Meadows, Victoria; Arney, Giada; Advanced Technology Large Aperture Space Telescope Science Team, Exoplanet Climate Group

    2016-01-01

    In this presentation, we will estimate the yield for a diversity of planets from future space-based flagship telescopes. We first divvy up planets into categories that are based on current observables, and that should impact the spectra we hope to observe in the future. The two main classification parameters we use here are the size of a planet and the energy flux into the planet's atmosphere. These two parameters are measureable or inferable from present-day observations, and should have a strong influence on future spectroscopy observations from JWST, WFIRST (with a coronagraph and/or starshade), and concept flagship missions that would fly some time after WFIRST. This allows us to calculate "?planet" values for each kind of planet. These ? values then allow calculations of the expected yields from direct imaging missions, by leveraging the models and prior work by Stark and colleagues (2014, 2015). That work estimated the yields for potentially Earth-like worlds (i.e. of a size and stellar irradiation consistent with definitions of the habitable zone) for telescopes with a variety of observational parameters. We will do the same thing here, but for a wider variety of planets. This will allow us to discuss the implications of architecture and instrument properties on the diversity of worlds that future direct imaging missions would observe.

  15. Kinetics and mechanism of the substitution reactions of the pentacyanoaquoruthenate(II) ion with nitrogen heterocycles in aqueous media

    SciTech Connect

    Hoddenbagh, J.M.A.; Macartney, D.H.

    1986-01-29

    The kinetics of the substitution reactions of the Ru(CN)/sub 5/OH/sub 2//sup 3 -/ ions with a series of nitrogen heterocycle ligands were studied in aqueous media. The rate constants for the formation of Ru(CN)/sub 5/L/sup(3-n)-/ are sensitive to the charge of the incoming ligand L/sup n/sup +//. The kinetic and activation parameters are consistent with an ion-pair dissociative mechanism, with a rate constant of 10 +/- 5 s/sup -1/ (25.0 /sup 0/C, ..mu.. = 0.10 M) for water exchange on Ru(CN)/sub 5/OH/sub 2//sup 3 -/. This value is 30 times lower than that for Fe(CN)/sub 5/OH/sub 2//sup 3 -/ but larger than that for cationic complexes such as Ru(OH/sub 2/)/sub 6//sup 2 +/ or Ru(NH/sub 3/)/sub 5/OH/sub 2//sup 2 +/. The differences in substitution lability are discussed in terms of electronic effects on the M-OH/sub 2/ bond interactions. At higher acidities (pH <5) the substitution rates for Ru(CN)/sub 5/OH/sub 2//sup 3 -/ decrease substantially as the protonation of a cyanide ligand yields a more substitution-inert (HNC)Ru(CN)/sub 4/OH/sub 2//sup 2 -/ ion (pK/sub a/ = 2.24 +/- 0.10). 30 references, 2 figures, 3 tables.

  16. On the relationships between Michaelis-Menten kinetics, reverse Michaelis-Menten kinetics, Equilibrium Chemistry Approximation kinetics and quadratic kinetics

    NASA Astrophysics Data System (ADS)

    Tang, J. Y.

    2015-09-01

    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 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 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 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 k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln k1+ of v with respect to the intrinsic substrate affinity k1+, 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 k2+ and ∂ ln v / ∂ ln [ E ]T, and persistently over-predicts ∂ ln v / ∂ ln k1+ and ∂ ln v / ∂ ln [ S ]T. In contrast, the Equilibrium Chemistry Approximation kinetics always gives consistent predictions of ∂ ln v / ∂ ln k2+, ∂ ln v / ∂ ln k1+, ∂ 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.

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

    DOE PAGESBeta

    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 k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently over-predict the normalized sensitivity ? ln v / ? ln k1+ of v with respect to the intrinsic substrate affinity k1+, 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 k2+ and ? ln v / ? ln [ E ]T, and persistently over-predicts ? ln v / ? ln k1+ and ? ln v / ? ln [ S ]T. In contrast, the Equilibrium Chemistry Approximation kinetics always gives consistent predictions of ? ln v / ? ln k2+, ? ln v / ? ln k1+, ? 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

  18. Kinetics of Social Contagion.

    PubMed

    Ruan, Zhongyuan; Iñiguez, Gerardo; Karsai, Márton; Kertész, János

    2015-11-20

    Diffusion of information, behavioral patterns or innovations follows diverse pathways depending on a number of conditions, including the structure of the underlying social network, the sensitivity to peer pressure and the influence of media. Here we study analytically and by simulations a general model that incorporates threshold mechanism capturing sensitivity to peer pressure, the effect of "immune" nodes who never adopt, and a perpetual flow of external information. While any constant, nonzero rate of dynamically introduced spontaneous adopters leads to global spreading, the kinetics by which the asymptotic state is approached shows rich behavior. In particular, we find that, as a function of the immune node density, there is a transition from fast to slow spreading governed by entirely different mechanisms. This transition happens below the percolation threshold of network fragmentation, and has its origin in the competition between cascading behavior induced by adopters and blocking due to immune nodes. This change is accompanied by a percolation transition of the induced clusters. PMID:26636878

  19. Chemical Looping Combustion Kinetics

    SciTech Connect

    Edward Eyring; Gabor Konya

    2009-03-31

    One of the most promising methods of capturing CO{sub 2} emitted by coal-fired power plants for subsequent sequestration is chemical looping combustion (CLC). A powdered metal oxide such as NiO transfers oxygen directly to a fuel in a fuel reactor at high temperatures with no air present. Heat, water, and CO{sub 2} are released, and after H{sub 2}O condensation the CO{sub 2} (undiluted by N{sub 2}) is ready for sequestration, whereas the nickel metal is ready for reoxidation in the air reactor. In principle, these processes can be repeated endlessly with the original nickel metal/nickel oxide participating in a loop that admits fuel and rejects ash, heat, and water. Our project accumulated kinetic rate data at high temperatures and elevated pressures for the metal oxide reduction step and for the metal reoxidation step. These data will be used in computational modeling of CLC on the laboratory scale and presumably later on the plant scale. The oxygen carrier on which the research at Utah is focused is CuO/Cu{sub 2}O rather than nickel oxide because the copper system lends itself to use with solid fuels in an alternative to CLC called 'chemical looping with oxygen uncoupling' (CLOU).

  20. Kinetic transport in crystals

    E-print Network

    Jens Marklof

    2009-09-25

    One of the central challenges in kinetic theory is the derivation of macroscopic evolution equations--describing, for example, the dynamics of an electron gas--from the underlying fundamental microscopic laws of classical or quantum mechanics. An iconic mathematical model in this research area is the Lorentz gas, which describes an ensemble of non-interacting point particles in an infinite array of spherical scatterers. In the case of a disordered scatterer configuration, the classical results by Gallavotti, Spohn and Boldrighini-Bunimovich-Sinai show that the time evolution of a macroscopic particle cloud is governed, in the limit of small scatterer density (Boltzmann-Grad limit), by the linear Boltzmann equation. In this lecture I will discuss the recent discovery that for a periodic configuration of scatterers the linear Boltzmann equation fails, and the random flight process that emerges in the Boltzmann-Grad limit is substantially more complicated. The key ingredient in the description of the limiting stochastic process is the renormalization dynamics on the space of lattices, a powerful technique that has recently been successfully applied also to other open problems in mathematical physics, including KAM theory and quantum chaos. This lecture is based on joint work with Andreas Strombergsson, Uppsala.