Sample records for yield kinetic parameters

  1. Kinetic parameters of calcium metabolism and femur morphometry in rats

    Microsoft Academic Search

    Maja Blanuša; Mira Bogunovi?; V. Matkovi?

    1978-01-01

    The aim of this study was to establish the influence of age and sex on the kinetic and morphometric parameters of calcium metabolism. Normal values of kinetic parameters were determined in normal adult rats of different ages (4–20 months) and both sexes. Urinary hydrophyline excretion was also assessed and morphometric measurements of the femur were performed.

  2. Sensitivity of cloud condensation nuclei activation processes to kinetic parameters

    E-print Network

    Chuang, Patrick Y.

    Sensitivity of cloud condensation nuclei activation processes to kinetic parameters P. Y. Chuang1 circumstances. Here the sensitivity of particle activation to parameters that are related to kinetic processes adiabatic parcel models. We conclude that activation is not very sensitive to the thermal accommodation

  3. Kinetic parameters of sintering of chemically enriched magnesium oxide

    Microsoft Academic Search

    V. L. Noviov; V. G. Abbakumov; S. I. Vikhman

    1993-01-01

    A kinetic investigation of sinetring of chemically enriched magnesium oxide was made for the purpose of finding a mathematical model of the process and determination of its kinetic parameters, knowledge of which makes it possible to solve problems of optimization of the firing method in design of firing equipment. in the investigations two varieties of pure magnesium oxide produced by

  4. Kinetic parameters estimation in an anaerobic digestion process using successive quadratic programming.

    PubMed

    Aceves-Lara, C A; Aguilar-Garnica, E; Alcaraz-González, V; González-Reynoso, O; Steyer, J P; Dominguez-Beltran, J L; González-Alvarez, V

    2005-01-01

    In this work, an optimization method is implemented in an anaerobic digestion model to estimate its kinetic parameters and yield coefficients. This method combines the use of advanced state estimation schemes and powerful nonlinear programming techniques to yield fast and accurate estimates of the aforementioned parameters. In this method, we first implement an asymptotic observer to provide estimates of the non-measured variables (such as biomass concentration) and good guesses for the initial conditions of the parameter estimation algorithm. These results are then used by the successive quadratic programming (SQP) technique to calculate the kinetic parameters and yield coefficients of the anaerobic digestion process. The model, provided with the estimated parameters, is tested with experimental data from a pilot-scale fixed bed reactor treating raw industrial wine distillery wastewater. It is shown that SQP reaches a fast and accurate estimation of the kinetic parameters despite highly noise corrupted experimental data and time varying inputs variables. A statistical analysis is also performed to validate the combined estimation method. Finally, a comparison between the proposed method and the traditional Marquardt technique shows that both yield similar results; however, the calculation time of the traditional technique is considerable higher than that of the proposed method. PMID:16180459

  5. Characteristics of holographic scattering and its application in determining kinetic parameters in PQ-PMMA photopolymer

    NASA Astrophysics Data System (ADS)

    Liu, H.; Yu, D.; Jiang, Y.; Sun, X.

    2009-06-01

    This paper characterizes holographic scattering and demonstrates its application in determining the kinetic parameters in materials with high transmittance and strong holographic scattering like phenanthrenequinone doped poly (methyl methacrylate) (PQ-PMMA). We define a polymerization rate parameter which can be determined by the temporal evolution of the scattering losses. Two basic kinetic parameters, quantum yield and molar-absorption coefficient, are obtained by nonlinear fitting the curve of the polymerization rate parameter as a function of the thickness, which are 1.9×10-6 mol/einstein and 2.1×104 cm2/mol for a wavelength of 532 nm respectively. These results improve the understanding of photochemical behaviors and allow us to describe the grating formation in the photopolymer reasonably.

  6. Kinetic and thermodynamic parameters of alkaline phosphatase and --glutamyl transferase

    E-print Network

    Boyer, Edmond

    Kinetic and thermodynamic parameters of alkaline phosphatase and --glutamyl transferase the suitability of alkaline phosphatase (ALP) and -glutamyl transferase (GGT) as markers for the heat treatment-resistant, nonspore-forming pathogens found in milk (Wiliska et al. 2007). Alkaline phosphatase (ALP; EC 3

  7. Kinetics and Yields of Pesticide Biodegradation at Low Substrate Concentrations and under Conditions Restricting Assimilable Organic Carbon

    PubMed Central

    Hammes, Frederik; Egli, Thomas; Kohler, Hans-Peter E.

    2014-01-01

    The fundamentals of growth-linked biodegradation occurring at low substrate concentrations are poorly understood. Substrate utilization kinetics and microbial growth yields are two critically important process parameters that can be influenced by low substrate concentrations. Standard biodegradation tests aimed at measuring these parameters generally ignore the ubiquitous occurrence of assimilable organic carbon (AOC) in experimental systems which can be present at concentrations exceeding the concentration of the target substrate. The occurrence of AOC effectively makes biodegradation assays conducted at low substrate concentrations mixed-substrate assays, which can have profound effects on observed substrate utilization kinetics and microbial growth yields. In this work, we introduce a novel methodology for investigating biodegradation at low concentrations by restricting AOC in our experiments. We modified an existing method designed to measure trace concentrations of AOC in water samples and applied it to systems in which pure bacterial strains were growing on pesticide substrates between 0.01 and 50 mg liter?1. We simultaneously measured substrate concentrations by means of high-performance liquid chromatography with UV detection (HPLC-UV) or mass spectrometry (MS) and cell densities by means of flow cytometry. Our data demonstrate that substrate utilization kinetic parameters estimated from high-concentration experiments can be used to predict substrate utilization at low concentrations under AOC-restricted conditions. Further, restricting AOC in our experiments enabled accurate and direct measurement of microbial growth yields at environmentally relevant concentrations for the first time. These are critical measurements for evaluating the degradation potential of natural or engineered remediation systems. Our work provides novel insights into the kinetics of biodegradation processes and growth yields at low substrate concentrations. PMID:24317077

  8. Mechanistic analysis of multi-omics datasets to generate kinetic parameters for constraint-based metabolic models

    PubMed Central

    2013-01-01

    Background Constraint-based modeling uses mass balances, flux capacity, and reaction directionality constraints to predict fluxes through metabolism. Although transcriptional regulation and thermodynamic constraints have been integrated into constraint-based modeling, kinetic rate laws have not been extensively used. Results In this study, an in vivo kinetic parameter estimation problem was formulated and solved using multi-omic data sets for Escherichia coli. To narrow the confidence intervals for kinetic parameters, a series of kinetic model simplifications were made, resulting in fewer kinetic parameters than the full kinetic model. These new parameter values are able to account for flux and concentration data from 20 different experimental conditions used in our training dataset. Concentration estimates from the simplified kinetic model were within one standard deviation for 92.7% of the 790 experimental measurements in the training set. Gibbs free energy changes of reaction were calculated to identify reactions that were often operating close to or far from equilibrium. In addition, enzymes whose activities were positively or negatively influenced by metabolite concentrations were also identified. The kinetic model was then used to calculate the maximum and minimum possible flux values for individual reactions from independent metabolite and enzyme concentration data that were not used to estimate parameter values. Incorporating these kinetically-derived flux limits into the constraint-based metabolic model improved predictions for uptake and secretion rates and intracellular fluxes in constraint-based models of central metabolism. Conclusions This study has produced a method for in vivo kinetic parameter estimation and identified strategies and outcomes of kinetic model simplification. We also have illustrated how kinetic constraints can be used to improve constraint-based model predictions for intracellular fluxes and biomass yield and identify potential metabolic limitations through the integrated analysis of multi-omics datasets. PMID:23360254

  9. 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.

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

    SciTech Connect

    Bohlen, S.R.; Kirby, S.H. (Geological Survey, Menlo Park, CA (United States)); 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.

  11. Influence of temperature rise on kinetic parameters during batch propagation of Kluyveromyces fragilis in cheese whey under ambient conditions

    Microsoft Academic Search

    A. E. Ghaly; M. Kamal; A. Avery

    2003-01-01

    Three 5 l working volume fermenters were used to investigate the growth of the yeast Kluyveromyces fragilis in acid cheese whey under ambient temperature in order to assess the specific growth rate and yield, the lactose and oxygen uptake rates during the various phases of batch culture, the effect of increasing temperature on the various kinetic parameters, and the need

  12. Enzyme kinetic parameters are not altered by microgravity.

    PubMed

    Giachetti, E; Ranaldi, F; Fiusco, A; Tacconi, M; Veratti, R; Falciani, P; Vanni, P

    1999-01-01

    This paper deals with a microgravity experiment concerning the EMEC project (Effect of Microgravity on Enzymatic Catalysis), performed during the parabolic flight of the sounding rocket MASER 7, launched from the base of Esrange (Kiruna, Sweden) on May 3, 1996. The experiment consisted of performing, in a microgravity environment, a number of velocity measurements of an enzyme (isocitrate lyase) catalyzed reaction at different substrate concentrations, to calculate the kinetic parameters (Km and Vmax), which were compared with those obtained at standard gravity, with identical instrumentation. The experimental hardware, the EMEC module, expressly set up by Officine Galileo (Firenze, Italy) with the financial support of the European Space Agency, was a multichannel fibre-optics radiometer, equipped with an automatic injection system, that allowed to measure simultaneously the transmittance changes in 16 reaction cells. The results indicated that under the experimental conditions applied, microgravity has no appreciable effect on the enzyme kinetic constants. PMID:11543358

  13. The secondary electron emission yield of muscovite mica: Charging kinetics and current density effects

    E-print Network

    Paris-Sud 11, Université de

    1 The secondary electron emission yield of muscovite mica: Charging kinetics and current density is obtained at high current density in the energy range (EI ,EII ) where the material is normally positively charged at low current density. (iii) Electron exo emission (bursts of electrons) is produced at low

  14. Use of fermentative metabolites for heterotrophic microalgae growth: Yields and kinetics.

    PubMed

    Turon, V; Baroukh, C; Trably, E; Latrille, E; Fouilland, E; Steyer, J-P

    2014-10-29

    The growth of two lipid-producing Chlorella species on fermentative end-products acetate, butyrate and lactate, was investigated using a kinetic modeling approach. Chlorella sorokiniana and Auxenochlorella protothecoides were grown on synthetic media with various (acetate:butyrate:lactate) ratios. Both species assimilated efficiently acetate and butyrate with yields between 0.4 and 0.5g carbon of biomass/g carbon of substrate, but did not use lactate. The highest growth rate on acetate, 2.23d(-1), was observed for C. sorokiniana, and on butyrate, 0.22d(-1), for A. protothecoides. Butyrate removal started after complete acetate exhaustion (diauxic effect). However, butyrate consumption may be favored by the increase of biomass concentration induced by the initial use of acetate. A model combining Monod and Haldane functions was then built and fitted the experimental data well for both species. Butyrate concentration and (acetate:butyrate) ratios were identified as key parameters for heterotrophic growth of microalgae on fermentative metabolites. PMID:25459841

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

    SciTech Connect

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

    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.

  16. Fluidized-bed pyrolysis of oil shale: oil yield, composition, and kinetics

    SciTech Connect

    Richardson, J H; Huss, E B; Ott, L L; Clarkson, J E; Bishop, M O; Taylor, J R; Gregory, L J; Morris, C J

    1982-09-01

    A quartz isothermal fluidized-bed reactor has been used to measure kinetics and oil properties relevant to surface processing of oil shale. The rate of oil formation has been described with two sequential first-order rate equations characterized by two rate constants, k/sub 1/ = 2.18 x 10/sup 10/ exp(-41.6 kcal/RT) s/sup -1/ and k/sub 2/ = 4.4 x 10/sup 6/ exp(-29.7 kcal/RT) s/sup -1/. These rate constants together with an expression for the appropriate weighting coefficients describe approximately 97/sup +/% of the total oil produced. A description is given of the results of different attempts to mathematically describe the data in a manner suitable for modeling applications. Preliminary results are also presented for species-selective kinetics of methane, ethene, ethane and hydrogen, where the latter is clearly distinguished as the product of a distinct intermediate. Oil yields from Western oil shale are approximately 100% Fischer assay. Oil composition is as expected based on previous work and the higher heating rates (temperatures) inherent in fluidized-bed pyrolysis. Neither the oil yield, composition nor the kinetics varied with particle size between 0.2 and 2.0 mm within experimental error. The qualitatively expected change in oil composition due to cracking was observed over the temperature range studied (460 to 540/sup 0/C). Eastern shale exhibited significantly faster kinetics and higher oil yields than did Western shale.

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

    PubMed Central

    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

  18. Plasma parameters and chemical kinetics of an HCl DC glow discharge

    Microsoft Academic Search

    A. M. Efremov; G. H. Kim; D. I. Balashov; C. I. Kim

    2006-01-01

    The investigations of plasma parameters and active particles kinetics in an HCl DC glow discharge system were carried out. The investigation combines plasma diagnostics by electric probes and plasma modeling based on the self-consistent solution of Boltzmann kinetic equation and the balance equation of chemical kinetic for neutral and charged particles. It was shown that the direct electron impact dissociation

  19. Optimum Designs for the Equality of Parameters in Enzyme Inhibition Kinetic

    E-print Network

    Optimum Designs for the Equality of Parameters in Enzyme Inhibition Kinetic Models Anthony C Abstract A general model for enzyme kinetics with inhibition, the "mixed" inhibi- tion model, simplifies Establishing the equality of parameters is important in the building of the non- linear models used for enzyme

  20. Montelukast photodegradation: elucidation of ?-order kinetics, determination of quantum yields and application to actinometry.

    PubMed

    Maafi, Mounir; Maafi, Wassila

    2014-08-25

    A recently developed ?-order semi-emperical integrated rate-law for photoreversible AB(2?) reactions has been successfully applied to investigate Montelukast sodium (Monte) photodegradation kinetics in ethanol. The model equations also served to propose a new stepwise kinetic elucidation method valid for any AB(2?) system and its application to the determination of Monte's forward (?(?(irr))(A-->B)) and reverse (?(?(irr))(B-->A)) quantum yields at various irradiation wavelengths. It has been found that ?(?(irr))(A-->B) undergoes a 15-fold increase with wavelength between 220 and 360 nm, with the spectral section 250-360 nm representing Monte effective photodegradation causative range. The reverse quantum yield values were generally between 12 and 54% lower than those recorded for ?(?(irr))(A-->B), with the trans-isomer (Monte) converting almost completely to its cis-counterpart at high irradiation wavelengths. Furthermore, the potential use of Monte as an actinometer has been investigated, and an actinometric method was proposed. This study demonstrated the usefulness of Monte for monochromatic light actinometry for the dynamic range 258-380 nm. PMID:24835854

  1. Changes in chemical and physical quality parameters of maize grain during three decades of yield improvement

    Microsoft Academic Search

    T. J Vyn; M Tollenaar

    1998-01-01

    Concern exists that the grain quality of maize (Zea mays L.) may decline due to breeding for increased yield. This study quantified chemical- and physical-quality parameters of maize grain for hybrids representing three decades of grain yield improvement in Ontario, Canada. Six hybrids that were commercially important in Ontario from 1959 to 1988 were grown at two locations in southern

  2. Influence of Graded Levels of Potassium Fertilizer on Growth, Yield, and Economic Parameters of Potato

    Microsoft Academic Search

    Moinuddin; Komal Singh; S. K. Bansal; N. S. Pasricha

    2005-01-01

    In a field experiment, four genotypes of potato were grown with graded levels of potassium (K) (0, 75, 150, and 225 kg K2O ha) with a uniform dose of nitrogen (N) (200 kg ha) and phosphorus (P) (100 kg P2O5 ha) to study their performance with regard to growth, yield, and economic parameters. Growth parameters (above ground plant biomass and tuber bulking rate), tuber yield, and

  3. Statistical analysis of nonlinear parameter estimation for Monod biodegradation kinetics using bivariate data.

    PubMed

    Knightes, C D; Peters, C A

    2000-07-20

    A nonlinear regression technique for estimating the Monod parameters describing biodegradation kinetics is presented and analyzed. Two model data sets were taken from a study of aerobic biodegradation of the polycyclic aromatic hydrocarbons (PAHs), naphthalene and 2-methylnaphthalene, as the growth-limiting substrates, where substrate and biomass concentrations were measured with time. For each PAH, the parameters estimated were: q(max), the maximum substrate utilization rate per unit biomass; K(S), the half-saturation coefficient; and Y, the stoichiometric yield coefficient. Estimating parameters when measurements have been made for two variables with different error structures requires a technique more rigorous than least squares regression. An optimization function is derived from the maximumlikelihood equation assuming an unknown, nondiagonal covariance matrix for the measured variables. Because the derivation is based on an assumption of normally distributed errors in the observations, the error structures of the regression variables were examined. Through residual analysis, the errors in the substrate concentration data were found to be distributed log-normally, demonstrating a need for log transformation of this variable. The covariance between ln C and X was found to be small but significantly nonzero at the 67% confidence level for NPH and at the 94% confidence level for 2MN. The nonlinear parameter estimation yielded unique values for q(max), K(S), and Y for naphthalene. Thus, despite the low concentrations of this sparingly soluble compound, the data contained sufficient information for parameter estimation. For 2-methylnaphthalene, the values of q(max) and K(S) could not be estimated uniquely; however, q(max)/K(S) was estimated. To assess the value of including the relatively imprecise biomass concentration data, the results from the bivariate method were compared with a univariate method using only the substrate concentration data. The results demonstrated that the bivariate data yielded a better confidence in the estimates and provided additional information about the model fit and model adequacy. The combination of the value of the bivariate data set and their nonzero covariance justifies the need for maximum likelihood estimation over the simpler nonlinear least squares regression. PMID:10861395

  4. Determination of thermoluminescence kinetic parameters of thulium doped lithium calcium borate

    Microsoft Academic Search

    M. T. Jose; S. R. Anishia; O. Annalakshmi; V. Ramasamy

    2011-01-01

    For the first time kinetic parameters of thulium doped Lithium calcium borate (LCB) Thermoluminescence (TL) material are reported here. Irradiated LCB:Tm3+ powder has revealed two intense TL glow peaks one at 510 (peak 1) and the other at 660K (peak 2). Activation energy (E), frequency factor (s) and order of kinetics (b) of these peaks were determined by various heating

  5. Kinetics of the reaction O + ClO yields Cl + O2

    NASA Technical Reports Server (NTRS)

    Margitan, J. J.

    1984-01-01

    The kinetics of the reaction O + ClO yields Cl + O2 (k1) were studied by using resonance fluorescence to monitor the decay of O atoms which had been generated from the laser photolysis of ClO. A discharge flow system was used to generate the ClO and its concentration was measured directly by multipass absorption spectrometry. The results are k1(298) = (4.2 + or -0.8) x 10 to the -11th cu cm/s (including systematic errors) with E/R determined to lie in the range + or - 200 K. The literature data are reviewed and a composite value of k1(T) = 6.0 x 10 to the -11th exp-(100/T) is recommended for stratospheric modeling calculations. The atmospheric implications of the revised rate constant are discussed briefly.

  6. Engineering topology and kinetics of sucrose metabolism in Saccharomyces cerevisiae for improved ethanol yield.

    PubMed

    Basso, Thiago O; de Kok, Stefan; Dario, Marcelo; do Espirito-Santo, Júlio Cézar A; Müller, Gabriela; Schlölg, Paulo S; Silva, Carlos P; Tonso, Aldo; Daran, Jean-Marc; Gombert, Andreas K; van Maris, Antonius J A; Pronk, Jack T; Stambuk, Boris U

    2011-11-01

    Sucrose is a major carbon source for industrial bioethanol production by Saccharomyces cerevisiae. In yeasts, two modes of sucrose metabolism occur: (i) extracellular hydrolysis by invertase, followed by uptake and metabolism of glucose and fructose, and (ii) uptake via sucrose-proton symport followed by intracellular hydrolysis and metabolism. Although alternative start codons in the SUC2 gene enable synthesis of extracellular and intracellular invertase isoforms, sucrose hydrolysis in S. cerevisiae predominantly occurs extracellularly. In anaerobic cultures, intracellular hydrolysis theoretically enables a 9% higher ethanol yield than extracellular hydrolysis, due to energy costs of sucrose-proton symport. This prediction was tested by engineering the promoter and 5' coding sequences of SUC2, resulting in predominant (94%) cytosolic localization of invertase. In anaerobic sucrose-limited chemostats, this iSUC2-strain showed an only 4% increased ethanol yield and high residual sucrose concentrations indicated suboptimal sucrose-transport kinetics. To improve sucrose-uptake affinity, it was subjected to 90 generations of laboratory evolution in anaerobic, sucrose-limited chemostat cultivation, resulting in a 20-fold decrease of residual sucrose concentrations and a 10-fold increase of the sucrose-transport capacity. A single-cell isolate showed an 11% higher ethanol yield on sucrose in chemostat cultures than an isogenic SUC2 reference strain, while transcriptome analysis revealed elevated expression of AGT1, encoding a disaccharide-proton symporter, and other maltose-related genes. After deletion of both copies of the duplicated AGT1, growth characteristics reverted to that of the unevolved SUC2 and iSUC2 strains. This study demonstrates that engineering the topology of sucrose metabolism is an attractive strategy to improve ethanol yields in industrial processes. PMID:21963484

  7. Kinetics and Product Yields of the Gas-Phase Reactions of Isoprene Hydroxynitrates and Isoprene Carbonynitrates

    NASA Astrophysics Data System (ADS)

    Abdelhamid, A.; Addala, R.; Vizenor, N.; Scruggs, A.; Tyndall, G. S.; Orlando, J. J.; Le, T.; Cardenas, E.; Maitra, S.; Hasson, A. S.

    2013-12-01

    Isoprene nitrates are formed in the troposphere from the reactions of isoprene with OH in the presence of NOx during the day and with NO3 during the night. Depending on their subsequent reactions, these compounds may be reservoirs or sinks for NOx, and may contribute to secondary organic aerosol formation. In this work, two isoprene hydroxynitrates (CH2=CHC(ONO2)(CH3)CH2OH, 1,2-IHN and CH2OHCH(ONO2)C(CH3)=CH2, 4,3-IHN ) and one isoprene carbonyl nitrate (CH2=CHC(ONO2)(CH3)CHO, ICN)) were synthesized. The kinetics and product yields from their reaction with O3, OH, NO3 and Cl were then investigated in a photochemical reactor using a combination of long-path Fourier transform infra-red spectroscopy, proton transfer reaction mass spectrometry and gas chromatography with flame ionization detection. Measured rate coefficients are consistent with reaction with OH and NO3 as the major chemical sinks for these compounds. Measured product yields imply that NOx is not released from these compounds in their reactions with atmospheric oxidants.

  8. Predicting peak kinematic and kinetic parameters from gait speed

    Microsoft Academic Search

    Jennifer L Lelas; Gregory J Merriman; Patrick O Riley; D. Casey Kerrigan

    2003-01-01

    Objective: The aim of this study is to assess the predictability of the relationships between gait speed and common peak sagittal plane parameters in order to provide a set of reference parameter values. Design: Lower extremity biomechanical data were collected in 64 healthy adults while walking barefoot at his\\/her comfortable walking speed, then at self-selected fast, slow and very slow

  9. Kinetic parameter estimation using nonisothermal trickle-bed reactor data 

    E-print Network

    Mensik, Michael Allen

    1985-01-01

    to ethyl benzene, using decalin as the solvent. BT + 3H2 ~ EB + H2S (69) where r = kCBTCH e 2 (70) with E = 20000 cal/gmole A = 5, 0E10 cm /(gmole gcat min) The arbitarly chosen values for E and A yielded a ko of 4820 cm /(gmole gest min) based...

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

    PubMed Central

    Brito, Paula M.; Antunes, Fernando

    2014-01-01

    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 toward 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 underlie the interplay between oxidative stress and redox signaling responses. PMID:25325054

  11. Kinematic and kinetic parameters associated with running in different shoes.

    PubMed Central

    McNair, P J; Marshall, R N

    1994-01-01

    The characteristics of the midsole were examined in four pairs of running shoes by a materials test. The variables of interest were the peak acceleration, time to peak acceleration and the kinetic energy absorbed. Ten subjects then ran at a recreational jogging pace (3.5 ms-1) barefoot and in the shoes. An accelerometer secured to the lower tibia was used to measure the peak acceleration and time to peak acceleration associated with footstrike. Subjects were also videoed and a kinematic analysis was undertaken at the knee and ankle joints. The results from the materials test showed that the shoes differed in their midsole characteristics, however, no significant differences (P > 0.05) were observed in the peak acceleration and time to peak acceleration during running in shoes. These variables were significantly greater in the barefoot running condition (P < 0.05), as compared with running in shoes. Small and subtle kinematic differences were observed between the barefoot and shoe conditions. It appears that the differences observed between the shoes in the materials test were not sufficient to elicit the kinematic changes observed between the barefoot and shoe conditions. It is suggested that runners operate within a 'kinetic bandwidth' when responding to impact stresses. PMID:7894957

  12. Incremental parameter estimation of kinetic metabolic network models

    E-print Network

    Jia, Gengjie

    Abstract Background An efficient and reliable parameter estimation method is essential for the creation of biological models using ordinary differential equation (ODE). Most of the existing estimation methods involve finding ...

  13. Cure kinetic parameter estimation of thermosetting resins with isothermal data by using particle swarm optimization

    Microsoft Academic Search

    Rogério L. Pagano; Verônica M. A. Calado; Frederico W. Tavares; Evaristo C. Biscaia

    2008-01-01

    The heuristic algorithms have shown to be a powerful tool in parameter estimation. Among these algorithms, particle swarm optimization (PSO) has become a method whose application has been increasing quickly. In the present work a new way for parameter estimation from cure kinetic model of polymeric resin using a differential-algebraic approach is shown. The PSO was applied to minimize the

  14. Experimental design for optimal parameter estimation of an enzyme kinetic process based on the analysis of the Fisher information matrix

    Microsoft Academic Search

    Patrick Felix Oliver Lindner; Bernd Hitzmann

    2006-01-01

    The investigation of enzyme kinetics is increasingly important, especially for finding active substances and understanding intracellular behaviors. Therefore, the determination of an enzyme's kinetic parameters is crucial. For this a systematic experimental design procedure is necessary to avoid wasting time and resources. The parameter estimation error of a Michaelis–Menten enzyme kinetic process is analysed analytically to reduce the search area

  15. Identification of Anisotropic Yield Criterion Parameters from a Single Biaxial Tensile Test

    E-print Network

    Boyer, Edmond

    Identification of Anisotropic Yield Criterion Parameters from a Single Biaxial Tensile Test ZHANG biaxial tensile test. It is shown, from finite element simulations, that the strain distribution biaxial tensile test. Introduction Sheet metals usually exhibit a plastic anisotropy due to previous

  16. 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.

  17. Microstructure, optical and kinetics parameters of oxysulfide tellurite glass

    NASA Astrophysics Data System (ADS)

    Yousef, El Sayed; Hegazy, H. H.; Almojadah, Samar

    2013-09-01

    A glasses with the compositions 75TeO2·10Nb2O5·10Bi2O3·5ZnO and 75TeO2·10Nb2O5·10Bi2O3·5ZnS in mol% were prepared by a melting technique. A systematic characterization of thermal, optical properties and structure of the prepared glass was carried out. The optical absorption was measured in the wavelength range from 300 to 2.500 nm). From the absorption edge studies, the value of optical band gap has been evaluated. The glass transition temperature, activation energy of relaxation structure and activation energy of crystallization were determined by non-isothermal differential scanning calorimetry (DSC). The crystal structure of the glass was investigated by using X-ray diffraction (XRD) and scanning electron microscopy (SEM). The XRD results and SEM micrograph reveal the presence of two crystalline phase: ?-TeO2 and Bi2Te4O11 phases during the crystallization process of the prepared glass. The Avrami kinetic exponent for the crystallization process was calculated.

  18. Discharge pumped iodine monofluoride laser: Operating parameters and collisional kinetics

    NASA Astrophysics Data System (ADS)

    Dlabal, M. L.

    Lasing was observed at five different wavelengths ranging from 472 to 497 nm from discharge pumped iodine monofluoride (IF). At the optimum output coupling 4 mJ was measured in a 30 ns FWHM pulse with a peak power of 140 kW. The merits and deficiencies of both HI and CF3I as iodine donors are discussed. Measurements show the small signal gain to be or = 1%/cm from 478 to 497 nm, while much of the absorption is due to excited state of He. Limited line tunability is also demonstrated by using an internally mounted Littrow prism. Quenching measurements of the upper and lowr laser level show the lower level to be removed more rapidly, thereby avoiding bottlenecking. In addition, the upper level spontaneous emission lifetime is measured to 17.2 + or - 4.0 ns. Finally studies of the formation kinetics of the upper laser level of IF show I (4P) atoms to be an immediate precursor, while the F (4P) atoms are unimportant.

  19. 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.

  20. Performance of gentamicin population kinetic parameters in Portuguese neonates

    Microsoft Academic Search

    Marília J. Rocha; Anabela M. Almeida; Amílcar C. Falcão; Margarida M. Caramona

    Aim  To evaluate the performance of eight different sets of gentamicin populational pharmacokinetic parameters, regarding potential\\u000a implementation in clinical pharmacokinetic software as prior information.\\u000a \\u000a \\u000a \\u000a Methods  The study involved 49 patients of 31.3±4.1 weeks of gestational age (GA), receiving gentamicin, and for whom peak and trough\\u000a concentrations were obtained. Accuracy and precision were assessed by mean prediction error (ME), mean squared prediction\\u000a error (MSE)

  1. Performance of gentamicin population kinetic parameters in Portuguese neonates

    Microsoft Academic Search

    Marília J. Rocha; Anabela M. Almeida; Amílcar C. Falcão; Margarida M. Caramona

    2007-01-01

    Aim  To evaluate the performance of eight different sets of gentamicin populational pharmacokinetic parameters, regarding potential\\u000a implementation in clinical pharmacokinetic software as prior information.\\u000a \\u000a \\u000a \\u000a \\u000a Methods  The study involved 49 patients of 31.3±4.1 weeks of gestational age (GA), receiving gentamicin, and for whom peak and trough\\u000a concentrations were obtained. Accuracy and precision were assessed by mean prediction error (ME), mean squared prediction\\u000a error (MSE)

  2. Tris(2,2'-bipyridine)ruthenium(II)-sensitized photooxidation of phenols. Environmental effects on electron transfer yields and kinetics

    Microsoft Academic Search

    K. Miedlar; P. K. Das

    1982-01-01

    Laser flash photolysis (337.1 nm) combined with kinetic absorption-emission spectrophotometry has been used to study the photoreduction of tris(2,2'-bipyridine)ruthenium(II) by phenols and the effects of solvent, temperature, and ionic strength on electron transfer kinetics and yields. The excited-state quenching rate constants (k\\/sub q\\/) are in the range 1 x 10⁶-5 x 10⁹ M⁻¹s⁻¹ for substituted phenolate ions (pH 12.7) and

  3. Effects of secondary yield parameter variation on predicted equilibrium potential of an object in a charging environment. [using computerized simulation

    NASA Technical Reports Server (NTRS)

    Purvis, C. K.

    1979-01-01

    The sensitivity of predicted equilibrium potential to changes in secondary electron yield parameters was investigated using MATCHG, a simple charging code which incorporates the NASCAP material property formulations. The equilibrium potential was found to be a sensitive function of one of the two parameters specifying secondary electron yield due to proton impact and of essentially all the parameters specifying yield due to electron impact. The information on the electron generated secondary yield parameters was discovered to be obtainable from monoenergetic beam charging data if charging rates as well as equilibrium potentials are accurately recorded.

  4. Effects of secondary yield parameter variation on predicted equilibrium potential of an object in a charging environment. [for spacecraft

    NASA Technical Reports Server (NTRS)

    Purvis, C. K.

    1979-01-01

    A study is presented in which the sensitivity of predicted equilibrium potential to changes in secondary electron yield parameters is investigated using MATCHG, a simple charging code which incorporates the NASCAP material property formulations. It is found that equilibrium potential is a sensitive function of one of the two parameters specifying secondary electron yield due to proton impact and of essentially all the parameters specifying yield due to electron impact. In addition, it is found that information on the electron generated secondary yield parameters can be obtained from monoenergetic beam charging data if charging rates as well as equilibrium potentials are accurately recorded.

  5. 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

  6. 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

  7. Impact of industrial air pollutants on some biochemical parameters and yield in wheat and mustard plants

    Microsoft Academic Search

    Namita Joshi; Avnish Chauhan; P. C. Joshi

    2009-01-01

    The present study was carried out to determine the impacts of SO2, NO\\u000a x\\u000a , SPM and RSPM, the most common air pollutants, generated mainly due to industries and vehicles, on some biochemical parameters\\u000a and yield in wheat and mustard plants during 2006. The concentration of SO2, NO\\u000a x\\u000a , SPM and RSPM was determined at the polluted sites across

  8. WIRE BONDING PARAMETERS OPTIMIZATION AND YIELD ENHANCEMENT FOR SILICON RECTIFICATION DIODE

    Microsoft Academic Search

    Yu-Min Chiang; Huei-Min Chiang; Yu-Wei Cheng

    The research pays attention to the wire bonding (W\\/B) manufacturing process of TO series products of silicon rectification diode because W\\/B plays a key role on product yield. The study applied the Taguchi method to determine the optimal parameters of W\\/B process. The confirmation experiment validates that the average defect rate of W\\/B has decreased from 35.75% to 10.75% and

  9. Estimation of genetic parameters for milk yield across lactations in mixed-breed dairy goats.

    PubMed

    Mucha, S; Mrode, R; Coffey, M; Conington, J

    2014-01-01

    Currently, breeding values for dairy goats in the United Kingdom are not estimated and selection is based only on phenotypes. Several studies from other countries have applied various methodologies to estimate breeding values for milk yield in dairy goats. However, most of the previous analyses were based on relatively small data sets, which might have affected the accuracy of the parameter estimates. The objective of this study was to estimate genetic parameters for milk yield in crossbred dairy goats in lactations 1 to 4. The research was based on data provided by 2 commercial goat farms in the United Kingdom comprising 390,482 milk yield records on 13,591 dairy goats kidding between 1987 and 2012. The population was created by crossing 3 breeds: Alpine, Saanen, and Toggenburg. In each generation, the best-performing animals were selected for breeding and, as a result, a synthetic breed was created. The pedigree file contained 28,184 individuals, of which 2,414 were founders. The data set contained test-day records of milk yield, lactation number, farm, age at kidding, and year and season of kidding. Data on milk composition was unavailable. Covariance components were estimated with the average information REML algorithm in the ASReml package (VSN International Ltd., Hemel Hempstead, UK). A random regression animal model for milk yield with fixed effects of herd test day, year-season, and age at kidding was used. Heritability was the highest at 200 and 250d in milk (DIM), reaching 0.45 in the first lactation and between 0.34 and 0.25 in subsequent lactations. After 300 DIM, the heritability started decreasing to 0.23 and 0.10 at 400 DIM in the first and subsequent lactations, respectively. Genetic correlation between milk yield in the first and subsequent lactations was between 0.16 and 0.88. This study found that milk yields in first and subsequent lactations are highly correlated, both at the genetic and phenotypic level. Estimates of heritability for milk yield were higher than most of the values reported in the literature, although they were in the range reported in this species. This should facilitate genetic improvement for the population studied as part of a broader multi-trait breeding program. PMID:24534512

  10. Comparative studies of the kinetic parameters of various algaenans and kerogens via open-system pyrolyses

    Microsoft Academic Search

    Daniel Dessort; Jacques Connan; Sylvie Derenne; Claude Largeau

    1997-01-01

    Kinetic parameters were determined for the first time, via open-system pyrolyses, on algaenans (highly resistant biomacromolecules that are selectively preserved during kerogen formation) isolated from extant microalgae. Parallel studies were also carried out on 10 kerogens exhibiting, with one exception, a low level of maturity. These kerogens included samples chiefly derived from the selective preservation of the above algaenans and

  11. Simultaneous determination of kinetic and diffusion parameters for the water-gas shift reaction

    Microsoft Academic Search

    T. Salmi; Abo Akademi

    1990-01-01

    The water-gas shift reaction was studied at 563–638 K over an industrial ferrochrome catalyst. The reaction rate data could be described by first order kinetics coupled to a diffusional resistance model for isothermal pellets. The model parameters were determined by simultaneous nonlinear regression.

  12. Compost mixture influence of interactive physical parameters on microbial kinetics and substrate fractionation

    E-print Network

    Paris-Sud XI, Université de

    Compost mixture influence of interactive physical parameters on microbial kinetics and substrate 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 Composting is a feasible by selecting an initial compost recipe with physical properties that enhance microbial activity. The present

  13. 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.

  14. Variability in kinetic parameter estimates: A review of possible causes and a proposed terminology

    Microsoft Academic Search

    C. P. Leslie Grady; Barth F. Smets; Daniel S. Barbeau

    1996-01-01

    The measured kinetics of a bacterial culture degrading a single organic compound as sole carbon source in a batch reactor depend on the history of the culture, the identifiability of the parameters, and the manner in which the experiment to measure them is run. The initial substrate to biomass ratio used in the experiment is particularly important because it influences

  15. An advanced model for determining charge recombination kinetic parameters in dye-sensitized solar cells

    Microsoft Academic Search

    Po-Tsung Hsiao; Hsi-Sheng Teng

    2010-01-01

    Charge recombination between dye-sensitized TiO2 electrodes and I3? in the electrolytes governs the performance of dye-sensitized solar cells. The present work features a theoretical model constructed to explore the discrepancy of the recombination kinetics in light and dark. This study yielded two modified equations describing recombination behaviors in light and dark. These two equations simulated the photocurrent–voltage characteristics of a

  16. A New Approach to Determine the Effect of Mismatches on Kinetic Parameters in DNA Hybridization Using an Optical Biosensor

    Microsoft Academic Search

    Masanori GOTOH; Yukio HASEGAWA; Yasuro SHINOHARA; Mizuho SHIMIZU; Mariko Tosu

    1995-01-01

    We have demonstrated a simple yet direct method for determining the kinetic parameters in DNA- DNA interactions using biosensor technology based on the surface plasmon resonance phenomenon; a technique that does not require complex DNA labeling. To determine the effect of mismatches on the kinetics involved in DNA-DNA interactions, DNA hybridization kinetics were monitored in real time using synthetic oligonucleotides

  17. Parameter estimation in stochastic chemical kinetic models using derivative free optimization and bootstrapping

    PubMed Central

    Srivastava, Rishi; Rawlings, James B.

    2014-01-01

    Recent years have seen increasing popularity of stochastic chemical kinetic models due to their ability to explain and model several critical biological phenomena. Several developments in high resolution fluorescence microscopy have enabled researchers to obtain protein and mRNA data on the single cell level. The availability of these data along with the knowledge that the system is governed by a stochastic chemical kinetic model leads to the problem of parameter estimation. This paper develops a new method of parameter estimation for stochastic chemical kinetic models. There are three components of the new method. First, we propose a new expression for likelihood of the experimental data. Second, we use sample path optimization along with UOBYQA-Fit, a variant of of Powell’s unconstrained optimization by quadratic approximation, for optimization. Third, we use a variant of Efron’s percentile bootstrapping method to estimate the confidence regions for the parameter estimates. We apply the parameter estimation method in an RNA dynamics model of E. coli. We test the parameter estimates obtained and the confidence regions in this model. The testing of the parameter estimation method demonstrates the efficiency, reliability, and accuracy of the new method. PMID:24920866

  18. Identification of regulatory structure and kinetic parameters of biochemical networks via mixed-integer dynamic optimization

    PubMed Central

    2013-01-01

    Background Recovering the network topology and associated kinetic parameter values from time-series data are central topics in systems biology. Nevertheless, methods that simultaneously do both are few and lack generality. Results Here, we present a rigorous approach for simultaneously estimating the parameters and regulatory topology of biochemical networks from time-series data. The parameter estimation task is formulated as a mixed-integer dynamic optimization problem with: (i) binary variables, used to model the existence of regulatory interactions and kinetic effects of metabolites in the network processes; and (ii) continuous variables, denoting metabolites concentrations and kinetic parameters values. The approach simultaneously optimizes the Akaike criterion, which captures the trade-off between complexity (measured by the number of parameters), and accuracy of the fitting. This simultaneous optimization mitigates a possible overfitting that could result from addition of spurious regulatory interactions. Conclusion The capabilities of our approach were tested in one benchmark problem. Our algorithm is able to identify a set of plausible network topologies with their associated parameters. PMID:24176044

  19. Genetic parameters for the weights and yields of carcass cuts in Chianina cattle.

    PubMed

    Sarti, F M; Pieramati, C; Lubricchio, E; Giontella, A; Lasagna, E; Panella, F

    2013-09-01

    Chianina is the tallest and heaviest beef cattle breed in the world and 1 of the most appreciated breeds on the Italian meat market. A selection program focused on improving Chianina carcass quality could provide a further economic advantage to Chianina breeders. However, the current European carcass scoring system [i.e., the SEUROP (S=superior, E=excellent, U= very good, R=good, O=fair, and P=poor) grid] is not suitable for use in selective breeding programs; methods based on carcass cuts would be much more efficient. Here, the genetic parameters of weights and yields (percentage of carcass weight) of the main commercial cuts were estimated on 842 Chianina carcasses (heifers and bullocks) using a mixed model that takes into account the fixed effects of herd, year of slaughter, and sex and the random additive effect of the animal; the carcass weight was also considered in cuts yield. The average carcass weights were 492.6 ± 86.52 kg (males) and 312.1 ± 68.74 kg (females), and the largest cut was the round, with a weight of 58.6 ± 19.35 kg and yield of 24.4 ± 1.28% in males and 40.2 ± 17.59 kg and 25.3 ± 1.41% in females. The variability in cut weight was greater than that in yield percentage. The cut weight heritabilities ranged from 0.74 (chuck) to 0.21 (short plate) whereas the yield heritabilities ranged from 0.88 (loin) to 0.40 (brisket). The genetic correlations were generally high and positive between weights; correlation values with yields were lower and could be positive or negative. These findings suggest that a selection program to improve the carcass quality of Chianina beef using cuts data could potentially achieve good results. PMID:23881686

  20. 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

  1. 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

  2. On the influence of the yield parameters identification procedure in cylindrical cups earing prediction

    NASA Astrophysics Data System (ADS)

    Barros, Pedro D.; Simões, Vasco M.; Neto, Diogo M.; Oliveira, Marta C.; Alves, José L.; Menezes, Luís F.

    2013-12-01

    This work presents a study concerning the deep drawing process of a cylindrical cup, following the process conditions defined on the BENCHMARK 1 - Earing Evolution During Drawing and Ironing Processes, of NUMISHEET 2011 [1]. The deep drawing operation is analyzed for an AA5042 aluminum alloy, which orthotropic behavior is described using the Cazacu and Barlat, 2001 yield criterion [2]. The constitutive parameters were determined based on the experimental data obtained from tensile tests, with different orientations to the rolling direction, disk compression test and the equibiaxial tension test, using DD3MAT in-house code. An analytical approach that relates the earing profile with the ones of both r -values and yield stresses [3,4] is used to understand the influence of the identification procedure on the analytically and numerically predicted earing profile. The numerical simulations of the forming process were performed using DD3IMP in-house code. The analysis shows that, although earing is generally assumed as being coupled to the r -values profile, it is also important that the yield criterion captures the relative differences of the yield stress profile.

  3. Parameters-related uncertainty in modeling sugar cane yield with an agro-Land Surface Model

    NASA Astrophysics Data System (ADS)

    Valade, A.; Ciais, P.; Vuichard, N.; Viovy, N.; Ruget, F.; Gabrielle, B.

    2012-12-01

    Agro-Land Surface Models (agro-LSM) have been developed from the coupling of specific crop models and large-scale generic vegetation models. They aim at accounting for the spatial distribution and variability of energy, water and carbon fluxes within soil-vegetation-atmosphere continuum with a particular emphasis on how crop phenology and agricultural management practice influence the turbulent fluxes exchanged with the atmosphere, and the underlying water and carbon pools. A part of the uncertainty in these models is related to the many parameters included in the models' equations. In this study, we quantify the parameter-based uncertainty in the simulation of sugar cane biomass production with the agro-LSM ORCHIDEE-STICS on a multi-regional approach with data from sites in Australia, La Reunion and Brazil. First, the main source of uncertainty for the output variables NPP, GPP, and sensible heat flux (SH) is determined through a screening of the main parameters of the model on a multi-site basis leading to the selection of a subset of most sensitive parameters causing most of the uncertainty. In a second step, a sensitivity analysis is carried out on the parameters selected from the screening analysis at a regional scale. For this, a Monte-Carlo sampling method associated with the calculation of Partial Ranked Correlation Coefficients is used. First, we quantify the sensitivity of the output variables to individual input parameters on a regional scale for two regions of intensive sugar cane cultivation in Australia and Brazil. Then, we quantify the overall uncertainty in the simulation's outputs propagated from the uncertainty in the input parameters. Seven parameters are identified by the screening procedure as driving most of the uncertainty in the agro-LSM ORCHIDEE-STICS model output at all sites. These parameters control photosynthesis (optimal temperature of photosynthesis, optimal carboxylation rate), radiation interception (extinction coefficient), root uptake of water (root profile), and transpiration and respiration (stomatal conductance, growth and maintenance respiration coefficients). We find that the optimal carboxylation rate and optimal photosynthesis temperature parameters contribute most to the uncertainty in NPP and GPP simulations whereas stomatal conductance is the most sensitive parameter controlling SH, followed by optimal photosynthesis temperature and optimal carboxylation rate. The spatial variation of the ranked correlation between input parameters and output variables is well explained by rain and temperature drivers, suggesting that climate mediated regionally different sensitivities of modeled sugarcane yield to the model parameters, for Australia and Brazil.

  4. 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.

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

    SciTech Connect

    Perez-Obiol, Axel; Parreno, Assumpta [Departament d'Estructura i Constituents de la Materia, Institut de Ciencies del Cosmos (ICC), Universitat de Barcelona, Marti i Franques 1, E-08028 (Spain); Julia-Diaz, Bruno [Departament d'Estructura i Constituents de la Materia, Institut de Ciencies del Cosmos (ICC), Universitat de Barcelona, Marti i Franques 1, E-08028 (Spain); Institut de Ciencies Fotoniques (ICFO), Parc Mediterrani de la Tecnologia, E-08860 Castelldefels (Barcelona) (Spain)

    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. Parameter estimation and order selection for an empirical model of VO2 on-kinetics.

    PubMed

    Alata, O; Bernard, O

    2007-01-01

    In humans, VO2 on-kinetics are noisy numerical signals that reflect the pulmonary oxygen exchange kinetics at the onset of exercise. They are empirically modelled as a sum of an offset and delayed exponentials. The number of delayed exponentials; i.e. the order of the model, is commonly supposed to be 1 for low-intensity exercises and 2 for high-intensity exercises. As no ground truth has ever been provided to validate these postulates, physiologists still need statistical methods to verify their hypothesis about the number of exponentials of the VO2 on-kinetics especially in the case of high-intensity exercises. Our objectives are first to develop accurate methods for estimating the parameters of the model at a fixed order, and then, to propose statistical tests for selecting the appropriate order. In this paper, we provide, on simulated Data, performances of Simulated Annealing for estimating model parameters and performances of Information Criteria for selecting the order. These simulated Data are generated with both single-exponential and double-exponential models, and noised by white and Gaussian noise. The performances are given at various Signal to Noise Ratio (SNR). Considering parameter estimation, results show that the confidences of estimated parameters are improved by increasing the SNR of the response to be fitted. Considering model selection, results show that Information Criteria are adapted statistical criteria to select the number of exponentials. PMID:17531136

  7. Effect of long-term physical aging on the kinetic parameters in a common pharmaceutical drug: Flutab ®

    NASA Astrophysics Data System (ADS)

    Abu-Sehly, A. A.; Elabbar, A. A.

    2011-02-01

    Differential scanning calorimetry (DSC) measurements were performed to investigate the effects of long-term physical aging on kinetic parameters of the pharmaceutical drug (Flutab ®). Kinetics parameters such as activation energy ( E) and fragility parameter ( m) of the glass transition for aged and rejuvenated glasses were determined using different kinetic models. Evidence of variation of E with temperature is presented. It is shown in this work that natural storage of the drug introduced significant physical aging as indicated by changes in the glass transition temperature, activation energy and fragility parameter.

  8. [Effects of water stress on red-edge parameters and yield in wheat cropping].

    PubMed

    He, Ke-Xun; Zaho, Shu-He; Lai, Jian-Bin; Luo, Yun-Xiao; Qin, Zhi-Hao

    2013-08-01

    The objective of the present paper is to study the influence of water stress on wheat spectrum red edge parameters by using field wheat spectrum data obtained from water stress experiment. Firstly, the authors analyzed the influence of water stress on wheat spectrum reflectance. Then the authors got the wheat red edge position and red edge peak through calculating wheat spectrum first-order differential and analyzed the influence of water stress on wheat red edge parameters. Finally the authors discussed the relationship between red peak and wheat yield. The results showed that the wheat red edge position shows "red shift" at the beginning of the wheat growth period and "blue shift" at the later period of the wheat growth period under the water stress experiment. Also, the red edge peak of the wheat showed that red edge peak increased with the water stress sharpening at the beginning of the wheat growth period, and then the red edge peak reduced with the water stress sharpening. The wheat red edge peak presented positive correlation with the wheat yield before the elongation period, and exhibited negative correlation after that period. PMID:24159864

  9. An investigation on the catalytic capacity of dolomite in transesterification and the calculation of kinetic parameters.

    PubMed

    Niu, Sheng-Li; Huo, Meng-Jia; Lu, Chun-Mei; Liu, Meng-Qi; Li, Hui

    2014-04-01

    The catalytic capacity of dolomite in transesterification was investigated and the kinetic parameters were calculated. The activated dolomites as transesterification catalyst were characterized by X-ray diffraction, nitrogen adsorption and desorption and Hammett indicator method, where the original dolomite was analyzed by thermogravimetric and X-ray fluorescence in advance. Its potential catalytic capacity was validated from aspects of the activated temperature and the reused property, where the reliability of the experimental system was also examined. Then, influences of the catalyst added amount, the mole ratio of methanol to oil, the transesterification temperature and the transesterification time on the catalytic capacity were investigated. Finally, kinetic parameters of the transesterification catalyzed by the activated dolomite were calculated. PMID:24583217

  10. A Study on Physiological Parameter Estimation Accuracy for Tracer Kinetic Modeling with Posttron Emission Tomography (PET)

    Microsoft Academic Search

    Xinmin Wang; Dagan Feng

    1992-01-01

    Tracer kinetic modeling with Positron Emission Tomography requires measurements of the time-activity curves in both plasma (PTAC) and tissue to estimate physiological parameters. Ideally, this PTAC should be the tracer local capillary plasma time-activity curve (CPTAC). However, due to the inaccessibility of direct measurement of CPTAC, the arterial plasma time-activity curve (APTAC) is usually used to replace CPTAC. The range

  11. The relationship between muscle kinetic parameters and kinematic variables in a complex movement

    Microsoft Academic Search

    Slobodan Jari?; Dušan Ristanovi?; Daniel M. Corcos

    1989-01-01

    Summary  Kinematic variables of the vertical jump (jumping height, jump phase durations and joint angles) were measured on 39 male\\u000a physical education students. In addition, kinetic parameters of the hip and knee extensors, and of the plantar flexors (maxima\\u000a voluntary force and its rate of development) were recorded on the same subjects, in isometric conditions. The results demonstrated\\u000a significant positive correlations

  12. Understanding system dynamics of an adaptive enzyme network from globally profiled kinetic parameters

    PubMed Central

    2014-01-01

    Background A major challenge in mathematical modeling of biological systems is to determine how model parameters contribute to systems dynamics. As biological processes are often complex in nature, it is desirable to address this issue using a systematic approach. Here, we propose a simple methodology that first performs an enrichment test to find patterns in the values of globally profiled kinetic parameters with which a model can produce the required system dynamics; this is then followed by a statistical test to elucidate the association between individual parameters and different parts of the system’s dynamics. Results We demonstrate our methodology on a prototype biological system of perfect adaptation dynamics, namely the chemotaxis model for Escherichia coli. Our results agreed well with those derived from experimental data and theoretical studies in the literature. Using this model system, we showed that there are motifs in kinetic parameters and that these motifs are governed by constraints of the specified system dynamics. Conclusions A systematic approach based on enrichment statistical tests has been developed to elucidate the relationships between model parameters and the roles they play in affecting system dynamics of a prototype biological network. The proposed approach is generally applicable and therefore can find wide use in systems biology modeling research. PMID:24428922

  13. 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

  14. 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

  15. Determination of curing kinetic parameters of lignin–phenol–formaldehyde resol resins by several dynamic differential scanning calorimetry methods

    Microsoft Academic Search

    M. V. Alonso; M. Oliet; J. M. Pérez; F. Rodr??guez; J. Echeverr??a

    2004-01-01

    The curing kinetics of lignin–phenol–formaldehyde (LPF) and phenol–formaldehyde (PF) resol resins was studied by non-isothermal differential scanning calorimetry (DSC) at different heating rates. The data were fitted by means of the Borchardt–Daniels, Ozawa and Kissinger methods, which allow determining the kinetic parameters of both resins. The kinetic study has been realized to evaluate the effect of methylolated ammonium lignin sulfonate

  16. Evaluating kinetic models for preferential CO-oxidation catalysts using optimization-based parameter estimation

    NASA Astrophysics Data System (ADS)

    Baughman, Adam C.; Huang, Xinqun; Martin, Lealon L.

    2012-07-01

    We adapt a general-purpose optimization-based parameter estimation technique previously described in the literature [1] to evaluate the suitability of a number of common kinetic models for the representation of key performance characteristics (conversion and selectivity) of catalysts used for the preferential oxidation of CO in the presence of H2. We find that, for process engineering applications, there is no clear practical advantage to using mechanistically based kinetic models (e.g. Langmuir-Hinshelwood) unless the precise chemical mechanism is known. Empirical rate models are found generally to provide equivalent or better simulations of key performance variables for a diverse group of catalyst formulations. Furthermore, we demonstrate that the water-gas-shift (WGS) reaction is relevant within PROX reaction systems under conditons containing high fractions of CO2 and H2, confirming the expectations of Choi and Stenger (2004) [2]. Finally, we attempt to identify any emergent trends in kinetic parameters among catalysts sharing similar active metal or metal oxide components. Unfortunately, apart from confirming that the activation barrier for CO oxidation is generally less than the barrier for H2 oxidation (an expected relationship for PROX catalysts), no such trends are found.

  17. 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.

  18. Effects of parameters affecting biomass yield and thermal behaviour of Chlorella vulgaris.

    PubMed

    Bhola, Virthie; Desikan, Ramesh; Santosh, Sheena Kumari; Subburamu, Karthikeyan; Sanniyasi, Elumalai; Bux, Faizal

    2011-03-01

    Conventional fossil fuels are facing a global challenge which lead scientists to explore alternative fuel production from biological sources. The algae-based fuels are gaining rapid attention as it has potential to replace petroleum-based fuels. An indigenous high lipid producing microalgae was isolated from a freshwater pond in the KwaZulu-Natal province of South Africa. The isolate was later identified as Chlorella vulgaris, based on partial 28S large subunit ribosomal RNA gene sequence. The growth kinetics, pyrolytic characteristics and photosynthetic efficiency of Chlorella was evaluated in vitro. The optimized conditions for higher biomass yield of the selected strain were at 4% CO(2), 0.5 g l(-1) NO(3) and 0.04 g l(-1) PO(4), respectively. The pulse amplitude modulation results indicated that C. vulgaris could withstand a light intensity ranging from 150 to 350 ?mol photons m(-2)s(-1). Further increase in light intensity resulted in a decline of the electron transport rate. Carbon fixation rate, lipid content and calorific value of C. vulgaris was 6.17 mg l(-1)h(-1), 21% and 17.44 kJ g(-1), respectively. The pyrolitic studies under inert atmosphere at different heating rates of 15, 30, 40 and 50°C min(-1) from ambient temperature to 800°C showed that the overall final weight loss recorded for the four different heating rates was in the range of 78.9-81%. These studies could be useful to appraise the biofuel potential of the isolated C. vulgaris strain, which can later be taken for pilot scale production. PMID:21185776

  19. 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...

  20. Identification of the crystallization kinetic parameters of a semi-crystalline polymer by using PVT? measurement

    NASA Astrophysics Data System (ADS)

    Tardif, X.; Sobotka, V.; Boyard, N.; Delaunay, D.

    2011-05-01

    Injection molding is the most widely used process in the plastic industry. In the case of semi-crystalline polymer, crystallization kinetics impacts directly the quality of the piece, both on dimensional and mechanical aspects. The characterization of these kinetics is therefore of primary importance to model the process, in particular during the cooling phase. To be representative, this characterization must be carried out under conditions as close as possible to those encountered in the process: high pressure, high cooling rate, shearing, and potential presence of fibers. However, conventional apparatus such as the differential scanning calorimeter do not allow to reach these conditions. A PVT? apparatus, initially developed in the laboratory for the characterization of thermoset composites, was adapted to identify the crystallization kinetics. The aim of the presented study is to demonstrate the feasibility of the identification. This device allows the molding of a circular sample of 40 mm diameter and 6 mm thick by controlling the applied pressure on the sample and the temperature field on its surfaces. This mold is designed such as heat transfer is 1D within the thickness of the sample. It is equipped with two heat flux sensors to determine the average crystallization rate through the thickness and a displacement sensor for the determination of the volume change. The heat transfer problem between the polymer and the molding cavity is modeled by using a 1D conduction problem with a moving boundary, in which the control volume is a uniform temperature disk with a variable volume, and coupled to a crystallization kinetic model. An inverse method is used to identify the parameters of the crystallization kinetic model by minimizing an objective function based on the difference between the evolutions of the experimental and computed volume of the sample. The first validation of this methodology was to compare the kinetic parameters identified with this apparatus with those obtained from DSC experiments, i.e. without additional pressure and at low cooling rates. A good agreement was obtained between both methods. A second validation was to compare experimental and computed temperatures at the center of the plastic part. In this case also, a very good agreement was found. The feasibility of the methodology is now demonstrated. The device is being adapted to increase the level of applied pressure as well as the cooling rate to achieve injection conditions.

  1. Effect of reconstruction and filtering on kinetic parameter estimation bias and reliability for dynamic SPECT: a simulation study

    Microsoft Academic Search

    Lingfeng Wen; Stefan Eberl; Koon-Pong Wong; Dagan Feng; Jing Bai

    2005-01-01

    Dynamic SPECT has the potential to provide absolute physiological parameter estimates. However, the low sensitivity of SPECT typically results in very noisy dynamic SPECT data. Filtering can reduce the noise, but at the expense of degrading the already poor resolution further. The effect of reconstruction parameters, post-reconstruction filtering and resolution recovery on kinetic parameter estimation bias and reliability was systematically

  2. Kinetic Parameter Extraction of Square Wave Voltammograms from DNA-Modified Gold Electrodes

    NASA Astrophysics Data System (ADS)

    McWilliams, Marc; Wohlgamuth, Chris; Slinker, Jason

    2012-10-01

    The field of surface bound electrochemistry is important in a variety of applications specifically sensing. A fundamental understanding of the processes involved could help to improve detection limits, optimize rates of detection and direct changes in device design. Accurate extraction of electrochemical kinetic parameters such as the rate constant k and charge transfer coefficient ? from cyclic voltammograms can be challenging when confronted with large background currents and relatively weak signals. The commonly used technique of Laviron analysis is both time consuming and somewhat subjective. Square wave voltammetry (SWV) is therefore an ideal alternative method given that it maximizes signal while minimizing capacitive effects. In this experiment kinetic parameters of DNA-modified gold electrodes are obtained from SWV curves through background subtraction followed by nonlinear least squares fitting using a first order quasi-reversible surface process model. The fitting is accomplished using the Nelder-Mead simplex algorithm with standard parameters and a convergence condition of less than 0.0001%. General agreement with experimental data is shown with varying levels of confidence. Difficulties specific to this experiment are discussed as well as the possible benefits of utilizing the Bayesian statistical approach of nested sampling when confronted with multiple peaks of interest and the background source is well defined.

  3. Pion Yield Studies for Proton Driver Beams of 2-8 GeV Kinetic Energy for Stopped Muon and Low-Energy Muon Decay Experiments

    Microsoft Academic Search

    S. I. Striganov

    2010-01-01

    Energy dependence of slow pion yield in proton-nucleus interactions is analyzed. Experimental data of the HARP collaboration is fitted using two-fireball model with chi2\\/nd ~ 1 from 3 to 8 GeV\\/c. It is shown that low momentum negative pion yield rises almost linearly with proton kinetic energy. Normalized low momentum positive pion yield is larger at lower proton energy.

  4. Efficient estimation of dynamic cardiac SPECT kinetic parameters using singular value decomposition reconstruction

    SciTech Connect

    Gulberg, G.T.; Huesman, R.H.; Zeng, G.L. [Lawrence Berkeley Lab., CA (United States)]|[Univ. of Utah, Salt Lake City, UT (United States)] [and others

    1994-05-01

    Error estimates of time activity curves are necessary to obtain efficient estimates of dynamic of dynamic cardiac SPECT kinetic parameters which are determined using weighted least squares fitting that incorporates these error estimates. In cardiac SPECT, iterative algorithms are used to obtain attenuation corrected reconstructions, and the use of an iterative algorithm makes it difficult to estimate the errors of the estimated reconstruction. An alternate approach is to estimate the reconstruction by solving the system of normal equations using singular value decomposition. This method was applied to dynamic data acquired from a canine study. A canine was injected with 25 mCi of Tc-99m-teboroxime and was imaged using a three-detector SPECT system (Picker PRISM 3000). Sequential 5 sec tomographic acquisitions were acquired for 15 min, allowing both the wash-in and wash-out of teboroxime to be measured. The projection data were reconstructed into 64x64 transaxial slices for each 5 sec acquisition using singular value decomposition to calculate the reconstructed estimate, the variance of the estimate, and the covariance between tissue and blood regions-of-interest. One 4096x4096 singular value decomposition was obtained in 71 hours using a 40 mHz Supper SPARC processor. Tissue and blood time-activity curves were generated from the attenuation corrected transaxial reconstructions. The blood activity curve was generated from a region drawn inside the left ventricle. A two-compartment model was fit to the blood and tissue activity curves to give weighted least squares estimates of blood volume fraction and wash-in and wash-out rate constants specifying teboroxime kinetics for regions of the left ventricular myocardium. As expected the weighted least squares estimates of the kinetic parameters had smaller variances than the unweighted estimates, thus demonstrating more efficient parameter estimation.

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

    SciTech Connect

    Kiedrowski, Brian C [Los Alamos National Laboratory; Brown, Forrest B [Los Alamos National Laboratory; Wilson, Paul [UNIV. WISCONSIN

    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. Rod outer segment structure influences the apparent kinetic parameters of cyclic GMP phosphodiesterase

    PubMed Central

    1994-01-01

    Cyclic GMP hydrolysis by the phosphodiesterase (PDE) of retinal rod outer segments (ROS) is a key amplification step in phototransduction. Definitive estimates of the turnover number, kcat, and of the Km are crucial to quantifying the amplification contributed by the PDE. Published estimates for these kinetic parameters vary widely; moreover, light-dependent changes in the Km of PDE have been reported. The experiments and analyses reported here account for most observed variations in apparent Km, and they lead to definitive estimates of the intrinsic kinetic parameters in amphibian rods. We first obtained a new and highly accurate estimate of the ratio of holo-PDE to rhodopsin in the amphibian ROS, 1:270. We then estimated the apparent kinetic parameters of light-activated PDE of suspensions of disrupted frog ROS whose structural integrity was systematically varied. In the most severely disrupted ROS preparation, we found Km = 95 microM and kcat = 4,400 cGMP.s-1. In suspensions of disc-stack fragments of greater integrity, the apparent Km increased to approximately 600 microM, though kcat remained unchanged. In contrast, the Km for cAMP was not shifted in the disc stack preparations. A theoretical analysis shows that the elevated apparent Km of suspensions of disc stacks can be explained as a consequence of diffusion with hydrolysis in the disc stack, which causes active PDEs nearer the center of the stack to be exposed to a lower concentration of cyclic GMP than PDEs at the disc stack rim. The analysis predicts our observation that the apparent Km for cGMP is elevated with no accompanying decrease in kcat. The analysis also predicts the lack of a Km shift for cAMP and the previously reported light dependence of the apparent Km for cGMP. We conclude that the intrinsic kinetic parameters of the PDE do not vary with light or structural integrity, and are those of the most severely disrupted disc stacks. PMID:7931138

  7. Decay kinetics of the excited S{sub 1} state of the cyanine dye Cy{sup +}I{sup -} (thiacarbocyanine iodide): The computation of quantum yields for different pathways

    SciTech Connect

    Odinokov, A. V.; Basilevsky, M. V.; Petrov, N. Kh. [Photochemistry Center RAS, Novatorov Str. 7a, 119421 Moscow (Russian Federation)

    2011-10-14

    This work explains the unordinary solvent effect which was observed in the photochemical decay kinetics for the cyanine dye thiacarbocyanine iodide (Cy{sup +}I{sup -}) in binary solvent mixtures toluene/dimethylsulfoxide. The interpretation is formulated in terms of the probability density F(R) describing the distribution of interionic distances R in the ion pair Cy{sup +}I{sup -} and depending on the solvent composition. The proper normalization of this distribution is expressed via the degree of association {alpha} for the ion pair in a given solvent mixture. The {alpha} values are, in turn, extracted by means of the mass action law from the ionic association constants computed in a separate publication. The detailed kinetic scheme includes the empirical parametrization of the R-dependent kinetic constants for different decay channels. The multiparameter fitting procedure represents, with the reasonable parameter values, the dependence of the observed quantum yields on the solvent composition.

  8. Role of carrier diffusion and picosecond exciton kinetics in nonproportionality of scintillator light yield

    NASA Astrophysics Data System (ADS)

    Williams, R. T.; Li, Q.; Grim, Joel Q.; Ucer, K. B.; Bizarri, G. A.; Moses, W. W.

    2010-08-01

    The effect of high excitation density in promoting nonlinear quenching that is 2nd or 3rd order in electron-hole density is generally understood to be a root cause of nonproportionality in scintillators. We report and discuss quantitative data on just how fast these nonlinear channels are in specific cases. Kinetic rate constants for the creation of excitons from electrons and holes and for their quenching by dipole-dipole transfer have been measured in CsI and NaI. We show in addition that the strong radial concentration gradient in an electron track gives rise to fast ({ picoseconds) diffusion phenomena that act both as a competitor in reducing excitation density during the relevant time of nonlinear quenching, and as a determiner of branching between independent carriers and pairs (excitons), where the branching ratio changes along the primary electron track. We use the experimentally measured nonlinear quenching rate constants and values of electron and hole carrier mobilities to carry out quantitative modeling of diffusion, drift, and nonlinear quenching evaluated spatially and temporally within an electron track which is assumed cylindrical in this version of the model. Magnitude and inequality of electron and hole mobilities has consequences for quenching and kinetic order that vary with dE/dx along the path of an electron and therefore affect nonproportionality. It will be demonstrated that in a material with high mobilities like high-purity germanium, Auger recombination is effectively turned off by diffusive carrier dilution within < 1 fs in all parts of the track. In alkali halide scintillators like CsI and CsI:Tl, electron confinement and high-order quenching are accentuated toward the end of a particle track because of hole self-trapping, while separation of geminate carriers is accentuated toward the beginning of the track, leading to 2nd order radiative recombination and opening additional opportunities for linear trapping.

  9. 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.

  10. 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...

  11. Quenching of O( 1D2) by Cl 2CO: kinetics and O( 3PJ) yield

    NASA Astrophysics Data System (ADS)

    Strekowski, R. S.; Nicovich, J. M.; Wine, P. H.

    2000-11-01

    Absolute rate coefficients ( k1) for the deactivation of electronically excited oxygen atoms, O( 1D2) , by phosgene (Cl 2CO) have been measured as a function of temperature over the range 194- 425 K. The results are well described by the Arrhenius expression k 1(T)=2.04×10 -10exp(+27/T) cm3 molecule-1 s-1. The reported values for k1( T) are considerably lower than the values currently recommended for use in modeling stratospheric chemistry. The yield of ground state oxygen atoms, O( 3PJ) , is found to be 0.20±0.04.

  12. Nutrient Uptake by Microorganisms according to Kinetic Parameters from Theory as Related to Cytoarchitecture

    PubMed Central

    Button, D. K.

    1998-01-01

    The abilities of organisms to sequester substrate are described by the two kinetic constants specific affinity, a°, and maximal velocity Vmax. Specific affinity is derived from the frequency of substrate-molecule collisions with permease sites on the cell surface at subsaturating concentrations of substrates. Vmax is derived from the number of permeases and the effective residence time, ?, of the transported molecule on the permease. The results may be analyzed with affinity plots (v/S versus v, where v is the rate of substrate uptake), which extrapolate to the specific affinity and are usually concave up. A third derived parameter, the affinity constant KA, is similar to KM but is compared to the specific affinity rather than Vmax? and is defined as the concentration of substrate necessary to reduce the specific affinity by half. It can be determined in the absence of a maximal velocity measurement and is equal to the Michaelis constant for a system with hyperbolic kinetics. Both are taken as a measure of ?, with departure of KM from KA being affected by permease/enzyme ratios. Compilation of kinetic data indicates a 108-fold range in specific affinities and a smaller (103-fold) range in Vmax values. Data suggest that both specific affinities and maximal velocities can be underestimated by protocols which interrupt nutrient flow prior to kinetic analysis. A previously reported inverse relationship between specific affinity and saturation constants was confirmed. Comparisons of affinities with ambient concentrations of substrates indicated that only the largest a°S values are compatible with growth in natural systems. PMID:9729603

  13. Thermodynamic and kinetic parameters of ofloxacin adsorption from aqueous solution onto modified coal fly ash

    NASA Astrophysics Data System (ADS)

    Zhang, C.-L.; Zhao, F.; Wang, Y.

    2012-04-01

    Batch adsorption experiments were carried out for the removal of ofloxacin from aqueous solution using modified coal fly ash as adsorbent. The effects of various parameters such as contact time, initial solution concentration and temperature on the adsorption system were investigated. The optimum contact time was found to be 150 min. The adsorption isotherm data fit well with the Langmuir model, and the kinetic data fit well with the pseudo-second order and the intra-particle diffusion model. Intra-particle diffusion analysis demonstrates that ofloxacin diffuses quickly among the particles at the beginning of the adsorption process, and then the diffusion slows down and stabilizes. Thermodynamic parameters such as ? G, ? H, and ? S were also calculated. The negative Gibbs free energy change and the positive enthalpy change indicated the spontaneous and endothermic nature of the adsorption, and the positive entropy change indicated that the adsorption process was aided by increased randomness.

  14. 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

  15. Sparsity Constrained Mixture Modeling for the Estimation of Kinetic Parameters in Dynamic PET

    PubMed Central

    Lin, Yanguang; Haldar, Justin P.; Li, Quanzheng; Conti, Peter S.; Leahy, Richard M.

    2013-01-01

    The estimation and analysis of kinetic parameters in dynamic PET is frequently confounded by tissue heterogeneity and partial volume effects. We propose a new constrained model of dynamic PET to address these limitations. The proposed formulation incorporates an explicit mixture model in which each image voxel is represented as a mixture of different pure tissue types with distinct temporal dynamics. We use Cramér-Rao lower bounds to demonstrate that the use of prior information is important to stabilize parameter estimation with this model. As a result, we propose a constrained formulation of the estimation problem that we solve using a two-stage algorithm. In the first stage, a sparse signal processing method is applied to estimate the rate parameters for the different tissue compartments from the noisy PET time series. In the second stage, tissue fractions and the linear parameters of different time activity curves are estimated using a combination of spatial-regularity and fractional mixture constraints. A block coordinate descent algorithm is combined with a manifold search to robustly estimate these parameters. The method is evaluated with both simulated and experimental dynamic PET data. PMID:24216681

  16. Lysozyme immobilized on micro-sized magnetic particles: kinetic parameters at wine pH.

    PubMed

    Liburdi, Katia; Straniero, Raffaello; Benucci, Ilaria; Vittoria Garzillo, Anna Maria; Esti, Marco

    2012-04-01

    In order to use lysozyme as an anti-microbial agent during the winemaking process, hen egg-white lysozyme (LYZ) was covalently immobilized on two different micro-size magnetic particles (tosyl-activated and carboxylated, TSA and CA, respectively). A cell suspension of Oenococcus oeni, an oenological strain involved in the winemaking process, was utilized as LYZ substrate. Both a kinetic study and a study of the stability of free and immobilized LYZ were performed in McIlvane buffer at pH 3.2, that is the average minimum pH value in wine. The activity and kinetic parameters measured for the free LYZ at pH 3.2 are lower than those reported at the optimum pH (4.5); however the residual activity at pH 3.2 is sufficient to be of interest for further immobilization and applications in winemaking. All kinetic parameters of both biocatalysts (LYZ-CA and LYZ-TSA) are altered after immobilization, probably due to the structural modifications in the active site caused by covalent attachment to the supports. The half-life calculated at 25 °C was 39 h for free LYZ, while it increased to 280 and 134 h for LYZ-TSA and LYZ-CA, respectively. This result indicates that immobilization improves the enzyme stability and that LYZ can be utilized in wine applications in its immobilized forms. In addition, LYZ-TSA seems to be the best biocatalyst for further applications in winemaking. PMID:22328255

  17. Local field potentials in primate motor cortex encode grasp kinetic parameters.

    PubMed

    Milekovic, Tomislav; Truccolo, Wilson; Grün, Sonja; Riehle, Alexa; Brochier, Thomas

    2015-07-01

    Reach and grasp kinematics are known to be encoded in the spiking activity of neuronal ensembles and in local field potentials (LFPs) recorded from primate motor cortex during movement planning and execution. However, little is known, especially in LFPs, about the encoding of kinetic parameters, such as forces exerted on the object during the same actions. We implanted two monkeys with microelectrode arrays in the motor cortical areas MI and PMd to investigate encoding of grasp-related parameters in motor cortical LFPs during planning and execution of reach-and-grasp movements. We identified three components of the LFP that modulated during grasps corresponding to low (0.3-7Hz), intermediate (~10-~40Hz) and high (~80-250Hz) frequency bands. We show that all three components can be used to classify not only grip types but also object loads during planning and execution of a grasping movement. In addition, we demonstrate that all three components recorded during planning or execution can be used to continuously decode finger pressure forces and hand position related to the grasping movement. Low and high frequency components provide similar classification and decoding accuracies, which were substantially higher than those obtained from the intermediate frequency component. Our results demonstrate that intended reach and grasp kinetic parameters are encoded in multiple LFP bands during both movement planning and execution. These findings also suggest that the LFP is a reliable signal for the control of parameters related to object load and applied pressure forces in brain-machine interfaces. PMID:25869861

  18. Kinetics of the reaction HO2 + NO2 + M yields HO2NO2 + M

    NASA Technical Reports Server (NTRS)

    Sander, S. P.; Peterson, M. E.

    1984-01-01

    The flash photolysis/ultraviolet absorption technique was used to measure the rate constants for the reaction HO2 + NO2 + M yields HO2NO2 + M over the pressure range 50-700 torr and temperature range 229-362 K using He, O2, and N2 as diluent gases. The data were fit to the expression derived by Troe (1979) and co-workers for describing the pressure and temperature dependence of reactions in the falloff region. By combining these data with recent measurements of the rate constant for HO2NO2 thermal decomposition values of 73.8 + or - 2 eu for the standard entropy and -12.6 + or - kcal/mol for the standard enthalpy of formation of HO2NO2 were obtained. A significant enhancement in the rate constant was observed when water vapor was added to the system.

  19. Kinetics of the reaction O + ClO yields Cl + O2

    NASA Technical Reports Server (NTRS)

    Leu, M.-T.

    1984-01-01

    The bimolecular rate constant for the reaction O + ClO yields Cl + O2 has been measured over the temperature range 236-422 K in a discharge flow system using atomic oxygen resonance fluorescence at 130 nm to monitor the decay of O in an excess of ClO. The results are found to be independent of the method used to produce the ClO radical. At 296 K, the rate constant is given by (3.6 + or - 0.7) x 10 to the -11th cu cm/sec and the temperature dependence expressed in Arrhenius form by k2 = (5.0 + or - 1.0) x 10 to the -11th exp-(96 + or - 20)/T cu cm/sec. The results are compared with earlier values, and the implications for stratospheric chemistry are discussed briefly.

  20. Seasonal Variation of the Canopy Structure Parameters and Its Correlation with Yield-Related Traits in Sugarcane

    PubMed Central

    Luo, Jun; Que, Youxiong; Zhang, Hua; Xu, Liping

    2013-01-01

    Population structure determines sugarcane yield, of which canopy structure is a key component. To fully understand the relations between sugarcane yield and parameters of the canopy structure, 17 sugarcane varieties were investigated at five growth stages. The results indicated that there were significant differences between characterized parameters among sugarcane populations at different growth stages. During sugarcane growth after planting, leaf area index (LAI) and leaf distribution (LD) increased, while transmission coefficient for diffuse radiation (TD), mean foliage inclination angle (MFIA), transmission coefficient for solar beam radiation penetration (TR), and extinction coefficient (K) decreased. Significant negative correlations were found between sugarcane yield and MFIA, TD, TR, and K at the early elongation stage, while a significant positive correlation between sugarcane yield and LD was found at the same stage. A regression for sugarcane yield, with relative error of yield fitting less than 10%, was successfully established: sugarcane yield = 2380.12 + 46.25 × LD ? 491.82 × LAI + 1.36 × MFIA + 614.91 × TD ? 1908.05 × TR ? 182.53 ×??K + 1281.75 × LD ? 1.35 × MFIA + 831.2 × TR ? 407.8 ×??K + 8.21 × MFIA ? 834.50 × TD ? 1695.49 ×??K??(R2 = 0.94**). PMID:24453909

  1. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-01-01

    A series of gasification experiments, using two right cylinder specimens (?12.7 × 25.4 mm and 25.4 × 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%.

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

    SciTech Connect

    El-Genk, Mohamed S [University of New Mexico, Albuquerque] [University of New Mexico, Albuquerque; Tournier, Jean-Michel [University of New Mexico, Albuquerque] [University of New Mexico, Albuquerque; Contescu, Cristian I [ORNL] [ORNL

    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%.

  4. KiPar, a tool for systematic information retrieval regarding parameters for kinetic modelling of yeast metabolic pathways

    Microsoft Academic Search

    Irena Spasic; Evangelos Simeonidis; Hanan L. Messiha; Norman W. Paton; Douglas B. Kell

    2009-01-01

    Motivation: Most experimental evidence on kinetic parameters is buried in the literature, whose manual searching is complex, time consuming and partial. These shortcomings become particularly acute in systems biology, where these parameters need to be integrated into detailed, genome-scale, metabolic models. These problems are addressed by KiPar, a dedicated information retrieval system designed to facilitate access to the literature relevant

  5. Experimental design for optimal parameter estimation of an enzyme kinetic process based on the analysis of the Fisher information matrix.

    PubMed

    Oliver Lindner, Patrick Felix; Hitzmann, Bernd

    2006-01-01

    The investigation of enzyme kinetics is increasingly important, especially for finding active substances and understanding intracellular behaviors. Therefore, the determination of an enzyme's kinetic parameters is crucial. For this a systematic experimental design procedure is necessary to avoid wasting time and resources. The parameter estimation error of a Michaelis-Menten enzyme kinetic process is analysed analytically to reduce the search area as well as numerically to specify the optimum for parameter estimation. From analytical analysis of the Fisher information matrix the fact is obtained, that an enzyme feed will not improve the estimation process, but substrate feeding is favorable with small volume flow. Unconstrained and constrained process conditions are considered. If substrate fed-batch process design is used instead of pure batch experiments the improvements of the Cramer-Rao lower bound of the variance of parameter estimation error reduces to 82% for mu(max) and to 60% for K(m) of the batch values in average. PMID:16039672

  6. Breath-by-breath pulmonary O2 uptake kinetics: effect of data processing on confidence in estimating model parameters.

    PubMed

    Keir, Daniel A; Murias, Juan M; Paterson, Donald H; Kowalchuk, John M

    2014-11-01

    To improve the signal-to-noise ratio of breath-by-breath pulmonary O2 uptake (V?O2p) data, it is common practice to perform multiple step transitions, which are subsequently processed to yield an ensemble-averaged profile. The effect of different data-processing techniques on phase II V?O2p kinetic parameter estimates (V?O2p amplitude, time delay and phase II time constant (?V?O2p)] and model confidence [95% confidence interval (CI95)] was examined. Young (n = 9) and older men (n = 9) performed four step transitions from a 20 W baseline to a work rate corresponding to 90% of their estimated lactate threshold on a cycle ergometer. Breath-by-breath V?O2p was measured using mass spectrometry and volume turbine. Mono-exponential kinetic modelling of phase II V?O2p data was performed on data processed using the following techniques: (A) raw data (trials time aligned, breaths of all trials combined and sorted in time); (B) raw data plus interpolation (trials time aligned, combined, sorted and linearly interpolated to second by second); (C) raw data plus interpolation plus 5 s bin averaged; (D) individual trial interpolation plus ensemble averaged [trials time aligned, linearly interpolated to second by second (technique 1; points joined by straight-line segments), ensemble averaged]; (E) 'D' plus 5 s bin averaged; (F) individual trial interpolation plus ensemble averaged [trials time aligned, linearly interpolated to second by second (technique 2; points copied until subsequent point appears), ensemble averaged]; and (G) 'F' plus 5 s bin averaged. All of the model parameters were unaffected by data-processing technique; however, the CI95 for ?V?O2p in condition 'D' (4 s) was lower (P < 0.05) than the CI95 reported for all other conditions (5-10 s). Data-processing technique had no effect on parameter estimates of the phase II V?O2p response. However, the narrowest interval for CI95 occurred when individual trials were linearly interpolated and ensemble averaged. PMID:25063837

  7. 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.

  8. Parameters of the protein energy landscapes of several light-harvesting complexes probed via spectral hole growth kinetics measurements.

    PubMed

    Herascu, Nicoleta; Najafi, Mehdi; Amunts, Alexey; Pieper, Jörg; Irrgang, Klaus-Dieter; Picorel, Rafael; Seibert, Michael; Zazubovich, Valter

    2011-03-31

    The parameters of barrier distributions on the protein energy landscape in the excited electronic state of the pigment/protein system have been determined by means of spectral hole burning for the lowest-energy pigments of CP43 core antenna complex and CP29 minor antenna complex of spinach Photosystem II (PS II) as well as of trimeric and monomeric LHCII complexes transiently associated with the pea Photosystem I (PS I) pool. All of these complexes exhibit sixty to several hundred times lower spectral hole burning yields as compared with molecular glassy solids previously probed by means of the hole growth kinetics measurements. Therefore, the entities (groups of atoms), which participate in conformational changes in protein, appear to be significantly larger and heavier than those in molecular glasses. No evidence of a small (?1 cm(-1)) spectral shift tier of the spectral diffusion dynamics has been observed. Therefore, our data most likely reflect the true barrier distributions of the intact protein and not those related to the interface or surrounding host. Possible applications of the barrier distributions as well as the assignments of low-energy states of CP29 and LHCII are discussed in light of the above results. PMID:21391534

  9. Kinetic parameter estimation and fluctuation analysis of CO at SnO2 single nanowires.

    PubMed

    Tulzer, Gerhard; Baumgartner, Stefan; Brunet, Elise; Mutinati, Giorgio C; Steinhauer, Stephan; Köck, Anton; Barbano, Paolo E; Heitzinger, Clemens

    2013-08-01

    In this work, we present calculated numerical values for the kinetic parameters governing adsorption/desorption processes of carbon monoxide at tin dioxide single-nanowire gas sensors. The response of such sensors to pulses of 50?ppm carbon monoxide in nitrogen is investigated at different temperatures to extract the desired information. A rate-equation approach is used to model the reaction kinetics, which results in the problem of determining coefficients in a coupled system of nonlinear ordinary differential equations. The numerical values are computed by inverse-modeling techniques and are then used to simulate the sensor response. With our model, the dynamic response of the sensor due to the gas-surface interaction can be studied in order to find the optimal setup for detection, which is an important step towards selectivity of these devices. We additionally investigate the noise in the current through the nanowire and its changes due to the presence of carbon monoxide in the sensor environment. Here, we propose the use of a wavelet transform to decompose the signal and analyze the noise in the experimental data. This method indicates that some fluctuations are specific for the gas species investigated here. PMID:23851634

  10. Ammonium Removal from Aqueous Solutions by Clinoptilolite: Determination of Isotherm and Thermodynamic Parameters and Comparison of Kinetics by the Double Exponential Model and Conventional Kinetic Models

    PubMed Central

    Tosun, ?smail

    2012-01-01

    The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R)) and four three-parameter (Redlich-Peterson (R-P), Sips, Toth and Khan) isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E) from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R2) of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM) showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (?G°), enthalpy (?H°) and entropy (?S°) of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients. PMID:22690177

  11. Ammonium removal from aqueous solutions by clinoptilolite: determination of isotherm and thermodynamic parameters and comparison of kinetics by the double exponential model and conventional kinetic models.

    PubMed

    Tosun, Ismail

    2012-03-01

    The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R)) and four three-parameter (Redlich-Peterson (R-P), Sips, Toth and Khan) isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E) from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R(2)) of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM) showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (?G°), enthalpy (?H°) and entropy (?S°) of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients. PMID:22690177

  12. [A study of gait recognition based on kinematics and kinetics parameters].

    PubMed

    Guo, Zhongwu; Ding, Haishu; Wang, Guangzhi; Ding, Hui

    2005-02-01

    In order to recognize people by their gait, we propose a pattern recognizing method based on kinematics and kinetics parameters. The feature extraction methods of joint angle and vertical ground reaction force (VGRF) were given. 14 healthy male subjects participated in this experiment. The experimental results showed that the correct classification rates (CCR) was 87.1% at k = 1 and 90% at k = 3 (k-nearest neighbor) based on joint angle recognition; the CCR was 85.7% at k = 1 and 80% at k = 3 based on VGRF recognition. The multivariate analysis of the experimental data proved the feasibility of gait recognition. The principal component analysis and curves of VGRF also showed that the instant of foot strike plays an important role in gait recognition. PMID:15762103

  13. Spatial variability of switchgrass ( Panicum virgatum L.) yield as related to soil parameters in a small field

    Microsoft Academic Search

    Nicola Di Virgilio; Andrea Monti; Gianpietro Venturi

    2007-01-01

    The harvested biomass of switchgrass (Panicum virgatum L.) is generally much lower than its potential; this may be due to several factors including not recovering all the biomass at harvest, weed competition, pests, disease and spatial variation of soil features. The objective of this research was to quantify the yield spatial variation of switchgrass and relate it to soil parameters,

  14. 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...

  15. Importance of soil moisture measurements for inferring parameters in hydrologic models of low-yielding ephemeral catchments

    Microsoft Academic Search

    S. A. Wooldridge; J. D. Kalma; J. P. Walker

    2003-01-01

    Low-yielding catchments with ephemeral streams provide a stern test of the capability of conceptual catchment models for predicting the hydrologic response of the natural landscape. Sustained periods of little or no flow mean that the information content of the streamflow time-series for parameter estimation is limited. During periods with no streamflow, such ephemeral catchments also offer no information on a

  16. Effect of combined nitrogen and sulphur fertilization on yield and qualitative parameters of Camelina sativa [L.] Crtz. (false flax)

    Microsoft Academic Search

    Tomas Lošák; Jaroslav Hlusek; Jiri Martinec; Johann Vollmann; Jiri Peterka; Radek Filipcik; Ladislav Varga; Ladislav Ducsay; Anna Martensson

    2011-01-01

    Camelina (Camelina sativa (L.) Crtz., false flax) is described as a species requiring fewer inputs than other oilseed crops thus making it an interesting alternative in sustainable cropping systems. As information on the combined effects of nitrogen and sulphur on camelina yield and quality parameters is meagre, a pot fertilization experiment was carried out with nitrogen applied as NH4NO3 at

  17. 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.

  18. Dependence of tar, nicotine and carbon monoxide yields on physical parameters: implications for exposure, emissions control and monitoring

    PubMed Central

    Stephens, W E

    2007-01-01

    Objective To estimate the extent to which tar, nicotine and carbon monoxide (TNCO) yields are dependent on cigarette design features such as burn rate, filter ventilation and paper porosity, and to consider the implications for human exposure and the regulation of TNCO emissions. A related aim is to determine whether accurate prediction of TNCO yields is possible using only simple physical parameters. Design and methods Datasets that include quantitative design parameters as well as measurements of TNCO yields collected under standard conditions with vents unblocked (International Organization for Standardization) and under intense conditions with vents fully blocked (Health Canada) were compiled from the literature (primarily US and UK brands). Forward stepwise multiple regression analysis is used to assess the relative importance of each design feature in explaining variability in the observed emissions. Using randomly split data subsets, multiple linear regression is used to model the dependence of TNCO yields on design features in the training subset and validated against the test subset. Tar and carbon monoxide correlate with many of the particulate? and volatile?phase toxins in smoke, and brand values normalised to nicotine yield are used as surrogate measures of exposure within the bounds defined by non?intense and intense smoking protocols. Results and conclusions Filter ventilation is the dominant control on measured TNCO emissions, but other factors including burn rate, amount of tobacco and paper porosity also contribute. Yields are predictable with reasonable accuracy and precision using only measured physical parameters. Surrogate exposure indicators suggest that filter ventilation does not lead to any reduction in exposure and that highly ventilated (low?yield) brands may actually increase exposure to the more volatile toxins. PMID:17565136

  19. Variability and reproducibility of rubidium-82 kinetic parameters in the myocardium of the anesthetized canine

    SciTech Connect

    Coxson, P.G.; Brennan, K.M.; Huesman, R.H. [Lawrence Berkeley Lab., CA (United States)] [and others

    1995-02-01

    Kinetic analysis of {sup 82}Rb (I) dynamic PET data produces quantitative measures which could be used to evaluate ischemic heart disease. These measures have the potential to generate objective comparisons of different patients or the same patient at different times. To achieve this potential, it is essential to determine the variability and reproducibility of the kinetic parameters. A total of 48 I dynamic PET datasets were acquired from two pure bred beagles. Each animal underwent eight I PET studies with essentially the same protocol for three successive weeks. Data were acquired with the Donner 600-Crystal Positron Tomograph (PET600). In each week, single-slice dynamic I PET datasets were collected with the animal at rest at three different gantry positions separated by 5 mm. Additional dataset were collected after dipyridamole infusion and after administration of aminophylline to induce a return to rest. A two-compartment kinetic model with correction for myocardial vasculature and spillover from the left ventricular blood pool was used to analyze the dynamic datasets. Model parameters for uptake (k{sub 1}), washout (k{sub 2}) and vascular fraction (f{sub v}) were estimated in 11-14 myocardial regions of interest (ROIs) using a weighted least-squares criterion. Statistical fluctuation due to the PET acquisition process was minimized by using a relatively high I dose (about 30 mCi) to take advantage of the high count rate capacity of the PET600. The variation in mean k{sub 1}, where the mean is taken over the myocardial ROIs was 10%-20% (Dog 1) and 15%-50% (Dog 2) among the rest studies conducted on the same data. Similar variation was evident in comparing studies in the same animal for different weeks. Spatial and temporal variation in estimates of the uptake rate (k{sub 1}) of I in the resting myocardium of the anesthetized canine are small in relation to the functional increase in k{sub 1}, following dipyridamole stress. 17 refs., 14 figs.

  20. Fixed-bed pyrolysis of safflower seed: influence of pyrolysis parameters on product yields and compositions

    Microsoft Academic Search

    S. H. Beis; Ö. Onay; Ö. M. Koçkar

    2002-01-01

    Fixed-bed slow pyrolysis experiments have been conducted on a sample of safflower seed to determine particularly the effects of pyrolysis temperature, heating rate, particle size and sweep gas flow rate on the pyrolysis product yields and their chemical compositions. The maximum oil yield of 44% was obtained at the final pyrolysis temperature of 500°C, particle size range of +0.425–1.25 mm,

  1. Kinetic parameters for the oxidation of pulverised coal as measured from drop tube tests

    SciTech Connect

    Ballester, J.; Jimenez, S. [University of Zaragoza, Zaragoza (Spain). Fluid Mechanical Group

    2005-08-01

    The methodology for measuring the oxidation parameters for pulverised coal combustion from drop-tube tests is reviewed, and some modifications to the traditional procedure (based on Arrhenius plots) are proposed. The work includes the experimental characterisation of an anthracite's combustion in a drop-tube furnace, which will be used as the reference data. One of the main points in the discussion is the consideration of a particle-size distribution instead of a single representative diameter. Since a true monosized sample cannot be obtained by sieving, the particles injected always display a size distribution and, therefore, the experimental results are the outcome of a range of oxidation rates. As a result, the assumption of a single particle size cannot explain some aspects of the experimental results (e.g., the 'curvature' of the burnoff curve) and may lead to significant deviations in the calculated parameters. On the other hand, an alternative method for deriving the parameters, based on calculating the particle's full combustion history, is proposed. The analysis presented here enables a more systematic and unambiguous approach for deriving the kinetic parameters for oxidation from experimental measurements. If the actual particle-size distribution is taken into account, the calculations are in good agreement with the experimental results and, in particular, reproduce the progressive decay in apparent oxidation rate while the fuel burns. Even though the deviations might still be reduced by using a more sophisticated model (e.g., accounting for heterogeneity in the particles' properties, or deactivation phenomena), the results obtained suggest that such corrections should be relatively small, the correct treatment of the size distribution of the particles being more important in this case.

  2. 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.

  3. Thermodynamic, Kinetic, and Equilibrium Parameters for the Removal of Lead and Cadmium from Aqueous Solutions with Calcium Alginate Beads

    PubMed Central

    Alfaro-Cuevas-Villanueva, Ruth; Hidalgo-Vázquez, Aura Roxana; Cortés Penagos, Consuelo de Jesús; Cortés-Martínez, Raúl

    2014-01-01

    The sorption of cadmium (Cd) and lead (Pb) by calcium alginate beads (CAB) from aqueous solutions in batch systems was investigated. The kinetic and thermodynamic parameters, as well as the sorption capacities of CAB in each system at different temperatures, were evaluated. The rate of sorption for both metals was rapid in the first 10 minutes and reached a maximum in 50 minutes. Sorption kinetic data were fitted to Lagergren, pseudo-second-order and Elovich models and it was found that the second-order kinetic model describes these data for the two metals; comparing kinetic parameters for Cd and Pb sorption a higher kinetic rate (K2) for Pb was observed, indicating that the interaction between lead cations and alginate beads was faster than for cadmium. Similarly, isotherm data were fitted to different models reported in literature and it was found that the Langmuir-Freundlich (L-F) and Dubinin-Radushkevich (D-R) models describe the isotherms in all cases. CAB sorption capacity for cadmium was 27.4?mg/g and 150.4?mg/g for lead, at 25°C. Sorption capacities of Cd and Pb increase as temperature rises. According to the thermodynamic parameters, the cadmium and lead adsorption process was spontaneous and endothermic. It was also found that pH has an important effect on the adsorption of these metals by CAB, as more were removed at pH values between 6 and 7. PMID:24587740

  4. Thermodynamic, kinetic, and equilibrium parameters for the removal of lead and cadmium from aqueous solutions with calcium alginate beads.

    PubMed

    Alfaro-Cuevas-Villanueva, Ruth; Hidalgo-Vázquez, Aura Roxana; Cortés Penagos, Consuelo de Jesús; Cortés-Martínez, Raúl

    2014-01-01

    The sorption of cadmium (Cd) and lead (Pb) by calcium alginate beads (CAB) from aqueous solutions in batch systems was investigated. The kinetic and thermodynamic parameters, as well as the sorption capacities of CAB in each system at different temperatures, were evaluated. The rate of sorption for both metals was rapid in the first 10 minutes and reached a maximum in 50 minutes. Sorption kinetic data were fitted to Lagergren, pseudo-second-order and Elovich models and it was found that the second-order kinetic model describes these data for the two metals; comparing kinetic parameters for Cd and Pb sorption a higher kinetic rate (K2) for Pb was observed, indicating that the interaction between lead cations and alginate beads was faster than for cadmium. Similarly, isotherm data were fitted to different models reported in literature and it was found that the Langmuir-Freundlich (L-F) and Dubinin-Radushkevich (D-R) models describe the isotherms in all cases. CAB sorption capacity for cadmium was 27.4 mg/g and 150.4 mg/g for lead, at 25 °C. Sorption capacities of Cd and Pb increase as temperature rises. According to the thermodynamic parameters, the cadmium and lead adsorption process was spontaneous and endothermic. It was also found that pH has an important effect on the adsorption of these metals by CAB, as more were removed at pH values between 6 and 7. PMID:24587740

  5. 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...

  6. Genetic Parameters And Selection Response For Yield Traits In Bread Wheat Under Irrigated And Rainfed Environments

    NASA Astrophysics Data System (ADS)

    Khalil, Iftikhar Hussain; at-ur-Rahman, Hiday; Khan, Imran

    2008-01-01

    A set of 22 F5:7 experimental wheat lines along with four check cultivars (Dera-98, Fakhr-e-Sarhad, Ghaznavi-98 and Tatara) were evaluated as independent experiments under irrigated and rainfed environments using a randomized complete block design at NWFP Agricultural University, Peshawar during 2004-05. The two environments were statistically different for days to heading and spike length only. Highly significant genetic variability existed among the wheat lines (P<0.01) in the combined analysis across environments for all traits. Genotype×environment interactions were non-significant for all traits except 1000-grain weight indicating consistent performance of wheat genotypes across the two environments. Wheat lines and check cultivars were 2 to 5 days early in heading under rainfed environment compared to the irrigated. Plant height, spike length, 1000-grain weight, biological and grain yields were generally reduced under rainfed environment. Genetic variances were of greater magnitude than environmental variances for most of the traits in both environments. The heritability estimates were of higher magnitude (0.74 to 0.96) for days to heading, plant height, spike length, biological and grain yield, while medium (0.31 to 0.51) for 1000-grain weight. Selection differentials were negative for heading (-7.3 days in irrigated vs -9.4 days in rainfed) and plant height (-9.0 cm in irrigated vs -8.7 cm in rainfed) indicating possibility of selecting wheat genotypes with early heading and short plant stature. Positive selection differentials of 1.3 vs 1.6 cm for spike length, 3.8 vs 3.4 g for 1000-grain weight, 2488.2 vs 3139.7 kg ha-1 for biological yield and 691.6 vs 565.4 kg ha-1 for grain yield at 20% selection intensity were observed under irrigated and rainfed environments, respectively. Expected selection responses were 7.98 vs 8.91 days for heading, 8.20 vs 9.52 cm for plant height, 1.01 vs 1.61 cm for spike length, 2.12 vs 1.15 g for 1000-grain weight, 1655.8 vs 2317.2 kg ha-1 for biological yield and 691.6 vs 565.4 kg ha-1 for grain yield under the two test environments, respectively. The differential heritability and selection responses for yield and related traits suggest the simultaneous evaluation and selection of wheat lines under the two environments.

  7. Computer Controlled Automated Assay for Comprehensive Studies of Enzyme Kinetic Parameters

    PubMed Central

    Ruoff, Peter; Holzwarth, Jinda; Kitanovic, Igor; Ngoc Bui, Van; Lederer, Elke; Wölfl, Stefan

    2010-01-01

    Stability and biological activity of proteins is highly dependent on their physicochemical environment. The development of realistic models of biological systems necessitates quantitative information on the response to changes of external conditions like pH, salinity and concentrations of substrates and allosteric modulators. Changes in just a few variable parameters rapidly lead to large numbers of experimental conditions, which go beyond the experimental capacity of most research groups. We implemented a computer-aided experimenting framework (“robot lab assistant”) that allows us to parameterize abstract, human-readable descriptions of micro-plate based experiments with variable parameters and execute them on a conventional 8 channel liquid handling robot fitted with a sensitive plate reader. A set of newly developed R-packages translates the instructions into machine commands, executes them, collects the data and processes it without user-interaction. By combining script-driven experimental planning, execution and data-analysis, our system can react to experimental outcomes autonomously, allowing outcome-based iterative experimental strategies. The framework was applied in a response-surface model based iterative optimization of buffer conditions and investigation of substrate, allosteric effector, pH and salt dependent activity profiles of pyruvate kinase (PYK). A diprotic model of enzyme kinetics was used to model the combined effects of changing pH and substrate concentrations. The 8 parameters of the model could be estimated from a single two-hour experiment using nonlinear least-squares regression. The model with the estimated parameters successfully predicted pH and PEP dependence of initial reaction rates, while the PEP concentration dependent shift of optimal pH could only be reproduced with a set of manually tweaked parameters. Differences between model-predictions and experimental observations at low pH suggest additional protonation-sites at the enzyme or substrates critical for enzymatic activity. The developed framework is a powerful tool to investigate enzyme reaction specifics and explore biological system behaviour in a wide range of experimental conditions. PMID:20502716

  8. Genetic parameters for lactation traits of milking ewes: protein content and composition, fat, somatic cells and individual laboratory cheese yield

    PubMed Central

    Othmane, Med Houcine; Carriedo, Juan Antonio; San Primitivo, Fermin; De la Fuente, Luis Fernando

    2002-01-01

    The effects of some environmental variation factors and the genetic parameters for total milk traits (fat content, protein content, casein content, serum protein content, lactation mean of individual laboratory cheese yield (LILCY), lactation mean of somatic cell count (LSCC), and milk yield) were estimated from the records of 1 111 Churra ewes. Genetic parameters were estimated by multivariate REML. Heritability for fat content was low (0.10) as is usually found in the Churra breed. Heritabilities for protein content, casein content, serum protein content, LILCY, milk yield and somatic cell count were 0.31, 0.30, 0.22, 0.09, 0.26 and 0.11, respectively. The highest heritability estimates were for protein and casein contents. Casein content is not advisable as an alternative to protein content as a selection criterion for cheese yield improvement; it does not have any compelling advantages and its measurement is costly. Our results for LSCC indicated that efforts should focus on improving the level of management rather than selecting for somatic cells, in the actual conditions of the Churra breed. PMID:12427387

  9. 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.

  10. Studies on the effect of caffeine on growth and yield parameters in Helianthus annuus L. variety Modern

    Microsoft Academic Search

    T Khursheed; MYK Ansari; D Shahab

    In present investigation, the seeds of Helianthus annuus L. variety Modern were treated with nine different concentrations (0.05%, 0.25%, 0.50%, 0.75%, 1.00%, 1.25%, 1.50%, 1.75% and 2.00%) of caffeine to raise the M1 generation and the effect of caffeine on seedling height on 30 th day of sowing, mature plant height, days to maturity and yield parameters was observed. Generally,

  11. Influence of operating variables on yield and quality parameters of olive husk oil extracted with supercritical carbon dioxide

    Microsoft Academic Search

    A. de Lucas; J. Rincón; I. Gracia

    2002-01-01

    Supercritical fluid extraction is a viable alternative process for extracting oil from olive husk, a residue obtained in the\\u000a olive oil production. We analyzed the effects of pressure (P) (100–300 bar), temperature (T) (40–60C), solvent flow (1–1.5 L\\/min), and particle size (D) (0.30–0.55 mm) on extraction yield, and three oil-quality parameters: acidity (OA), PV, and phosphorus content (PC). A response

  12. Effects of Plant Growth Regulator SY on Diurnal Changes in Photosynthetic Parameters and Yield of Stevia Rebaudina Bertoni

    Microsoft Academic Search

    Guangxi Ren; Xiangyang Liu; Yan Shi

    2011-01-01

    Selecting the variety of QingTian 2, the effects of plant growth regulator S-Y(PGR-S-Y) on diurnal changes in photosynthetic parameters and yield of Stevia rebaudina Bertoni were studied in the open field. The results indicated that the appropriate concentration of PGR-S-Y (T2) significantly increased the SPAD, the utilization rate of CO2 and the Photosynthetic rate (Pn) respectively, and restricted the midday

  13. Modeling the sorption kinetic of metsulfuron-methyl on Andisols and Ultisols volcanic ash-derived soils: kinetics parameters and solute transport mechanisms.

    PubMed

    Cáceres, Lizethly; Escudey, Mauricio; Fuentes, Edwar; Báez, María E

    2010-07-15

    Metsulfuron-methyl sorption kinetic was studied in Andisol and Ultisol soils in view of their distinctive physical and chemical properties: acidic pH and variable surface charge. Different kinetic models were applied to the experimental results. The pseudo-second-order model fitted sorption kinetics data better than the pseudo-first-order model. The rate constant and the initial rate constant values obtained through this model demonstrated the different behavior of metsulfuron-methyl in both kinds of soils, both parameters being the highest for Andisol. The application of Elovich equation, intraparticle diffusion model and a two-site nonequilibrium model (TSNE) allowed to conclude that: (i) the high organic matter content is the governing factor for Andisols where mass transfer across the boundary layer, and in a lesser degree, intraparticle diffusion were the two processes controlling sorption kinetic and (ii) the mineral composition was more relevant in Ultisols where rate was controlled almost exclusively by intraparticle diffusion into macropores and micropores. The slower sorption rate on Ultisols, the mechanism involved and the lower sorption capacity of this kind of soils must be taken into account to assess leaching behavior of this herbicide. PMID:20399011

  14. A study of line widths and kinetic parameters of ions in the solar corona

    E-print Network

    Zhao, G Q; Wang, C B

    2014-01-01

    Solar extreme-ultraviolet (EUV) lines emitted by highly charged ions have been extensively studied to discuss the issue of coronal heating and solar wind acceleration. Based on observations of the polar corona by the SUMER/SOHO spectrometer, this paper investigates the relation between the line widths and kinetic parameters of ions. It is shown that there exists a strongly linear correlation between two variables $(\\sigma/\\lambda)^2$ and $M^{-1}$, where $\\sigma$, $\\lambda$ and $M$ are the half-width of the observed line profile at $1/\\sqrt{e}$, the wavelength and the ion mass, respectively. The Pearson product-moment correlation coefficients exceed 0.9. This finding tends to suggest that the ions from a given height of polar corona have a common temperature and a common non-thermal velocity in terms of existing equation. The temperature and non-thermal velocity are obtained by linear least-square fit. The temperature is around $2.8$ MK at heights of 57$''$ and 102$''$. The non-thermal velocity is typical 21.6...

  15. Determination of the kinetic parameters of the CALIBAN metallic core reactor from stochastic neutron measurements

    SciTech Connect

    Casoli, P.; Authier, N.; Chapelle, A. [Commissariat a l'Energie Atomique et Aux Energies Alternatives, CEA, DAM, F-21120 Is sur Tille (France)

    2012-07-01

    Several experimental devices are operated by the Criticality and Neutron Science Research Dept. of the CEA Valduc Laboratory. One of these is the Caliban metallic core reactor. The purpose of this study is to develop and perform experiments allowing to determinate some of fundamental kinetic parameters of the reactor. The prompt neutron decay constant and particularly its value at criticality can be measured with reactor noise techniques such as Rossi-{alpha} and Feynman variance-to-mean methods. Subcritical, critical, and even supercritical experiments were performed. Fission chambers detectors were put nearby the core and measurements were analyzed with the Rossi-{alpha} technique. A new value of the prompt neutron decay constant at criticality was determined, which allows, using the Nelson number method, new evaluations of the effective delayed neutron fraction and the in core neutron lifetime. As an introduction of this paper, some motivations of this work are given in part 1. In part 2, principles of the noise measurements experiments performed at the CEA Valduc Laboratory are reminded. The Caliban reactor is described in part 3. Stochastic neutron measurements analysis techniques used in this study are then presented in part 4. Results of fission chamber experiments are summarized in part 5. Part 6 is devoted to the current work, improvement of the experimental device using He 3 neutron detectors and first results obtained with it. Finally, conclusions and perspectives are given in part 7. (authors)

  16. Silica coating and photocatalytic activities of ZnO nanoparticles: effect of operational parameters and kinetic study.

    PubMed

    Ismail, L F M; Emara, M M; El-Moselhy, M M; Maziad, N A; Hussein, O K

    2014-10-15

    Silica-coating ZnO nanoparticles were prepared using the hydrothermal method. The prepared nanoparticles were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM) and energy dispersive X-ray Spectroscopy (EDX). It was found that ultrafine core/shell structured silica-coating ZnO nanoparticles were successfully obtained. TEM analysis revealed a continuous and uniform silica coating layer of about 8nm in thickness on the surface of ZnO nanoparticles. The photocatalytic performance of silica-coating ZnO core/shell nanoparticles in methylene blue aqueous solution was investigated. The effects of some operational parameters such as pH value, nanocatalyst loading and initial MB concentration on the degradation efficiency were discussed. Kinetic parameters were experimentally determined and a pseudo-first-order kinetic was observed. Thus, the main advantage of the coating is the stability of the photocatalysts and the better performance in acidic or alkaline solutions. Compared to ZnO the maximum apparent rate constant is obtained at pH 8.5 (pH 11.5 in case of bare ZnO). Moreover, the Langmuir adsorption model was applied to describe the equilibrium isotherm at different MB concentration. The applicability of the Langmuir isotherm suggests monolayer coverage of the MB onto surface of silica-coating ZnO nanoparticles. The kinetics of the adsorption with respect to the initial dye concentration, were also investigated. The pseudo-first-order and second-order kinetic models were used and the rate constants were evaluated. The kinetic studies revealed that the pseudo-second-order kinetic model better represented the adsorption kinetics, suggesting that the adsorption process may be chemisorption. PMID:24830629

  17. Statistical considerations in the estimation of enzyme kinetic parameters by the direct linear plot and other methods

    PubMed Central

    Cornish-Bowden, Athel; Eisenthal, Robert

    1974-01-01

    The statistical implications of the direct linear plot for enzyme kinetic data, described in the preceding paper (Eisenthal & Cornish-Bowden, 1974), are discussed for the case of the Michaelis–Menten equation. The plot is shown to lead directly to non-parametric confidence limits for the kinetic parameters, V and Km, which depend on far less sweeping assumptions about the nature of experimental error than those implicit in the method of least squares. Median estimates of V and Km can also be defined, which are shown to be more robust than the least-squares estimates in a wide variety of experimental situations. PMID:4854389

  18. Cerium oxide nanoparticles impact yield and modify nutritional parameters in wheat (Triticum aestivum L.).

    PubMed

    Rico, Cyren M; Lee, Sang Chul; Rubenecia, Rosnah; Mukherjee, Arnab; Hong, Jie; Peralta-Videa, Jose R; Gardea-Torresdey, Jorge L

    2014-10-01

    The implications of engineered nanomaterials on crop productivity and food quality are not yet well understood. The impact of cerium oxide nanoparticles (nCeO2) on growth and yield attributes and nutritional composition in wheat (Triticum aestivum L.) was examined. Wheat was cultivated to grain production in soil amended with 0, 125, 250, and 500 mg of nCeO2/kg (control, nCeO2-L, nCeO2-M, and nCeO2-H, respectively). At harvest, grains and tissues were analyzed for mineral, fatty acid, and amino acid content. Results showed that, relative to the control, nCeO2-H improved plant growth, shoot biomass, and grain yield by 9.0%, 12.7%, and 36.6%, respectively. Ce accumulation in roots increased at increased nCeO2 concentration but did not change across treatments in leaves, hull, and grains, indicating a lack of Ce transport to the above-ground tissues. nCeO2 modified S and Mn storage in grains. nCeO2-L modified the amino acid composition and increased linolenic acid by up to 6.17% but decreased linoleic acid by up to 1.63%, compared to the other treatments. The findings suggest the potential of nanoceria to modify crop physiology and food quality with unknown consequences for living organisms. PMID:25220448

  19. 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.

  20. 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

  1. 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.

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

    PubMed

    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. PMID:25085180

  4. Optimization of process parameters by response surface methodology and kinetic modeling for batch production of canthaxanthin by Dietzia maris NIT-D (accession number: HM151403).

    PubMed

    Goswami, Gargi; Chakraborty, Samarprit; Chaudhuri, Surabhi; Dutta, Debjani

    2012-10-01

    Dietzia maris NIT-D, a canthaxanthin producer, was isolated during routine screening of pigment-producing bacteria. Response surface methodology was applied for statistical designing of process parameters for biomass and canthaxanthin production. The effects of four process parameters (considered as independent variables), namely temperature (10-30 °C), pH (4.75-5.75), shaker speed (75-135 rpm) and percentage inoculum (0.5-2.5 %) on the biomass and canthaxanthin yield (considered as dependent variables) were studied. As much as 122 mg L(-1) of canthaxanthin was obtained when Dietzia maris NIT-D was incubated for 120 h at 25 °C and 120 rpm, initial pH and percentage inoculum being 5.5 and 2 % respectively. The pigment yield is the highest reported till date, with Dietzia maris as the test organism. The maximum biomass yield was 7.39 g L(-1) under optimized process parameters. The predicted values were also verified by validation experiments in 5-day fermentation. Different mathematical models were used to describe growth and production, considering the effect of glucose in batch mode. The kinetic constants were calculated by fitting the experimental data to the models. Cell growth was inhibited beyond a glucose concentration of 15 g L(-1). Andrews' model gave the best fit with a R (2) value of 0.9993. During the exponential growth phase, the specific growth rate was found to remain fairly constant with respect to time. There was no inhibitory effect due to intracellular product accumulation for all concentrations of glucose. This observation is the first of its kind, as previous studies have reported that increasing accumulation of intracellular carotenoid exerts greater degree of inhibition on growth. PMID:22451081

  5. 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.

  6. 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

  7. 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.

  8. Voltammetric determination of electron transfer kinetic parameters in hydroquinone-terminated self-assembled monolayers on gold

    Microsoft Academic Search

    Hun-Gi Hong; Euykyung Yu

    1999-01-01

    This paper reports the electron tunneling constant (?) and distance dependence of the long range electron transfer kinetic parameters in the 2-(n-mercaptoalkyl)hydroquinone (abbreviated as H2Q(CH2)nSH, where n=1, 4, 6, 8, and 10) self-assembled monolayers (SAMs) on gold electrodes in acidic solution. A logarithmic dependence of the heterogeneous electron transfer rate constant for the redox reaction of hydroquinone (H2Q) on the

  9. Kinetic parameters of dehydrogenase in the assessment of the response of soil to vermicompost and inorganic fertilisers

    Microsoft Academic Search

    G. Masciandaro; B. Ceccanti; V. Ronchi; C. Bauer

    2000-01-01

    Kinetic parameters (V\\u000a max and K\\u000a m) of dehydrogenase activity were determined in order to assess the metabolic response of a soil about 1?year after organic\\u000a and mineral treatments. The soil was planted with maize (Zea mays) and treated with the following fertilisers: organic (vermicompost; VC), mineral (ammonium phosphate and urea), and an organo-mineral\\u000a mixture. V\\u000a max, which represents a

  10. Kinetic parameters of a material test research reactor fueled with high density U 3Si 2 dispersion fuels

    Microsoft Academic Search

    Farhan Muhammad; Asad Majid

    2009-01-01

    The kinetic parameters of a material test research reactor fueled with high density U3Si2 dispersion fuels were calculated. For this purpose, the low density LEU fuel of an MTR was replaced with high density U3Si2 LEU fuels currently being developed under the RERTR program. Calculations were carried out to find the core excess reactivity, prompt neutron generation time and effective

  11. Calculation of the basic kinetic parameters of thermo-oxidative degradation of polyethylene and its copper-containing composites

    Microsoft Academic Search

    E. S Trofimchuk; M. Y Yablokova

    2001-01-01

    Calculation of the basic kinetic parameters of thermo-oxidative destruction of initial, porous HDPE and copper-containing composites based on porous HDPE was carried out by the IKP method. It was shown that thermo-oxidation of these materials consisted of three stages: (1) the migration of oxygen molecules to the active oxidising centres and the beginning of chain oxidation; (2) destruction of polymer

  12. The thermoluminescent (TL) kinetics parameters of the perovskite-like KMgF3 activated by lutetium impurities

    Microsoft Academic Search

    P. R. Gonzalez; C. Furetta; E. Cruz Zaragoza

    2006-01-01

    The aim of this paper is to conclude a long experimental work carried out over many years on the thermoluminescence (TL) characterization of a complex fluoride, i.e. the perovskite-like KMgF3 activated by different dopants. In the present case, KMgF3 was doped by Lu impurities in three different concentrations. The kinetics parameters, i.e. the activation energy, E, the frequency factor, s

  13. The thermoluminescent (TL) kinetics parameters of the perovskite-like KMgF 3 activated by lutetium impurities

    Microsoft Academic Search

    P. R. Gonzalez; C. Furetta; E. Cruz Zaragoza

    2006-01-01

    The aim of this paper is to conclude a long experimental work carried out over many years on the thermoluminescence (TL) characterization of a complex fluoride, i.e. the perovskite-like KMgF3 activated by different dopants. In the present case, KMgF3 was doped by Lu impurities in three different concentrations. The kinetics parameters, i.e. the activation energy, E, the frequency factor, s

  14. Effects of Multiple-Bond Ruptures on Kinetic Parameters Extracted from Force Spectroscopy Measurements: Revisiting Biotin-Streptavidin Interactions

    PubMed Central

    Guo, Senli; Ray, Chad; Kirkpatrick, Andrea; Lad, Nimit; Akhremitchev, Boris B.

    2008-01-01

    Force spectroscopy measurements of the rupture of the molecular bond between biotin and streptavidin often results in a wide distribution of rupture forces. We attribute the long tail of high rupture forces to the nearly simultaneous rupture of more than one molecular bond. To decrease the number of possible bonds, we employed hydrophilic polymeric tethers to attach biotin molecules to the atomic force microscope probe. It is shown that the measured distributions of rupture forces still contain high forces that cannot be described by the forced dissociation from a deep potential well. We employed a recently developed analytical model of simultaneous rupture of two bonds connected by polymer tethers with uneven length to fit the measured distributions. The resulting kinetic parameters agree with the energy landscape predicted by molecular dynamics simulations. It is demonstrated that when more than one molecular bond might rupture during the pulling measurements there is a noise-limited range of probe velocities where the kinetic parameters measured by force spectroscopy correspond to the true energy landscape. Outside this range of velocities, the kinetic parameters extracted by using the standard most probable force approach might be interpreted as artificial energy barriers that are not present in the actual energy landscape. Factors that affect the range of useful velocities are discussed. PMID:18621812

  15. 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...

  16. Influence of external mass transfer limitation on apparent kinetic parameters of penicillin G acylase immobilized on nonporous ultrafine silica particles.

    PubMed

    Kheirolomoom, Azadeh; Khorasheh, Farhad; Fazelinia, Hossein

    2002-01-01

    Immobilization of enzymes on nonporous supports provides a suitable model for investigating the effect of external mass transfer limitation on the reaction rate in the absence of internal diffusional resistance. In this study, deacylation of penicillin G was investigated using penicillin acylase immobilized on ultrafine silica particles. Kinetic studies were performed within the low-substrate-concentration region, where the external mass transfer limitation becomes significant. To predict the apparent kinetic parameters and the overall effectiveness factor, knowledge of the external mass transfer coefficient, k(L)a, is necessary. Although various correlations exist for estimation of k(L)a, in this study, an optimization scheme was utilized to obtain this coefficient. Using the optimum values of k(L)a, the initial reaction rates were predicted and found to be in good agreement with the experimental data. PMID:16233176

  17. 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

  18. 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

  19. Understanding the regulation of aspartate metabolism using a model based on measured kinetic parameters

    PubMed Central

    Curien, Gilles; Bastien, Olivier; Robert-Genthon, Mylène; Cornish-Bowden, Athel; Cárdenas, María Luz; Dumas, Renaud

    2009-01-01

    The aspartate-derived amino-acid pathway from plants is well suited for analysing the function of the allosteric network of interactions in branched pathways. For this purpose, a detailed kinetic model of the system in the plant model Arabidopsis was constructed on the basis of in vitro kinetic measurements. The data, assembled into a mathematical model, reproduce in vivo measurements and also provide non-intuitive predictions. A crucial result is the identification of allosteric interactions whose function is not to couple demand and supply but to maintain a high independence between fluxes in competing pathways. In addition, the model shows that enzyme isoforms are not functionally redundant, because they contribute unequally to the flux and its regulation. Another result is the identification of the threonine concentration as the most sensitive variable in the system, suggesting a regulatory role for threonine at a higher level of integration. PMID:19455135

  20. Determination of Kinetic Parameters in Laminar Flow Reactors. II. Experimental Aspects

    Microsoft Academic Search

    A. Hanf; H.-R. Volpp; J. Wolfrum

    In the present contribution laser spectroscopic studies are described in which the chemical kinetics of benchmark elementary\\u000a reaction steps in different laminar flow reactors were experimentally investigated along with detailed numerical modeling\\u000a calculations (see the article Carraro\\/Heuveline\\/Rannacher [5] in this vol-ume). Coherent anti-Stokes Raman spectroscopy (CARS) was utilized to study the collisional relaxation and vibrational\\u000a energy transfer of vibrationally excited

  1. Pion yield studies for proton drive beams of 2-8 GeV kinetic energy for stopped

    E-print Network

    McDonald, Kirk

    spectrometer data vs MARS models. Pion kinetic energy of 40 MeV corresponds to momentum of 113 MeV/c #12;HARP #12;MARS - dash-dotted lines #12;#12;#12;HARP collaboration conclusion #12;#12;HARP vs HARP-CDP #12- dependence of each fireball) #12;Two-fireball model vs HARP data Large angles only - 2/ndf =0.94 All angles

  2. Simulating kinetic parameters in transporter mediated permeability across Caco-2 cells. A case study of estrone-3-sulfate.

    PubMed

    Rolsted, Kamilla; Rapin, Nicolas; Steffansen, Bente

    2011-10-01

    Substances that compete for the same saturable intestinal transporters may when dosed together lead to altered permeability and hence influence bioavailability. The aim was to simulate kinetic parameters, i.e. K(m) and J(max), for transporter mediated E(1)S permeability across Caco-2 cells by a combined experimental modeling approach. 4 classes of transporters were suggested to be involved in the permeability of E(1)S, i.e. apical influx (T(I)) and efflux (T(III)) as well as basolateral efflux (T(II)) and influx (T(IV)). Efflux ratio of E(1)S was determined to 6.8. E(1)S is suggested to have highest affinity to T(III). T(IV) is however suggested to be rate limiting in exsorptive P(APP) due to lower J(max) of T(IV), compared to T(III). Possible interactions between E(1)S and the excipients erythrosine and Brij35 on these 4 classes of transporters were also studied. From these studies it is suggested that erythrosine does interact with E(1)S on apical efflux transporter T(III) by competitive inhibition. Furthermore interaction between erythrosine and E(1)S is suggested on apical influx transporter (T(I)). Brij35 does not seem to interact with E(1)S on apical transporters. The present model seem to be a valuable tool to simulate kinetic parameters for compounds being substrates to multiple transporters as well as to estimate kinetic parameters for compounds interacting on the same transporters. PMID:21888970

  3. 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

  4. 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.

  5. Effect of kinetic growth parameters on leakage current and ferroelectric behavior of BiFeO3 thin films

    NASA Astrophysics Data System (ADS)

    Shelke, Vilas; Harshan, V. N.; Kotru, Sushma; Gupta, Arunava

    2009-11-01

    Epitaxial BiFeO3 thin films have been grown on (100)-oriented SrTiO3 and Nb-doped SrTiO3 substrates using the pulsed laser deposition technique under identical thermodynamic and variable kinetic conditions. The variation of growth kinetics through laser fluence and pulse repetition rate had minimal effect on the structure and magnetic properties of films. However, large changes were observed in the microstructure, with initial island growth mode approaching toward step-flow type growth and roughness reducing from 12.5 to 1.8 nm for 50 nm thick film. Correspondingly, the leakage current density at room temperature dropped consistently by almost four orders of magnitude. The dominant mechanism in low leakage current films was space-charge-limited conduction. These findings suggest that the issue of leakage current can be dealt favorably by controlling kinetic growth parameters. The application of high electric field and observation of maximum polarization value up to 103 ?C/cm2 could be possible in these samples. An appearance of saturated hysteresis behavior depending upon bottom electrode was also observed. This fact is qualitatively explained on the basis of recent concepts of switchability and polarity of thin film-electrode interface.

  6. Non-isothermal kinetic parameters and models of crystallization for amorphous Fe-Co-Nb-Cu-B alloys

    NASA Astrophysics Data System (ADS)

    Wang, Xin; Deng, Longjiang; Xie, Jianliang; Liang, Difei

    2013-02-01

    The non-isothermal differential scanning calorimetry (DSC) measurements are often used to study kinetics of amorphous alloys. However non-isothermal kinetic parameters and models of amorphous alloy crystallization process were unclear. In our research, amorphous (FexCo1-x)NbCuB (x=0.33, 0.5 and 0.75) alloys were produced in the form of ribbon by a single roller melt-spinning method. DSC curves at heating rate 5, 10, 15, 20 and 25 K/min were obtained. Kissinger, Ozawa and model-free methods obtain identical activation energies at each exothermic peak of all compositions. We conclude that first exothermic reaction is determined by the migration activation energy of Fe or Co atom; second reaction determined by the energy between parent and product boride phases; and the third reaction determined by the energy between parent ?-FeCo phase and product bcc-Fe/fcc-Co phases. We hypothesized a non-isothermal kinetic modelf(?)=?(1, which fit our experiment results well. In this model, m depends on nucleus shape and growth dimension, and n are determined by lattice positions participated in new phase formation.

  7. The kinetic theory of electromagnetic waves in an electron plasma having slowly varying parameters

    Microsoft Academic Search

    V. D. Pikulin; N. S. Stepanov

    1973-01-01

    It is well known that the presence of dispersion may lead to substantial singularities in the behavior of waves propagating in media with parameters that vary in time and space. These questions have been treated theoretically in more or less detail for particular cases - basically for media with slowly varying parameters in one-dimensional problems (see, for example, [1, 2]).

  8. Charged lepton decays l{sub i}{yields}l{sub j}+{gamma}, leptogenesis CP-violating parameters and Majorana phases

    SciTech Connect

    Petcov, S. T.; Shindou, T. [Scuola Internazionale Superiore di Studi Avanzati, and Istituto Nazionale di Fisica Nucleare, I-34014 Trieste (Italy)

    2006-10-01

    We analyze the dependence of the rates of the LFV charged-lepton decays {mu}{yields}e+{gamma}, {tau}{yields}e+{gamma}, {tau}{yields}{mu}+{gamma} (l{sub i}{yields}l{sub j}+{gamma}) and their ratios, predicted in the class of SUSY theories with see-saw mechanism of {nu}-mass generation and soft SUSY breaking with universal boundary conditions at the GUT scale, on the Majorana CP-violation phases in the PMNS neutrino mixing matrix and the ''leptogenesis'' CP-violating (CPV) parameters. The case of quasidegenerate in mass heavy Majorana neutrinos is considered. The analysis is performed for normal hierarchical (NH), inverted hierarchical (IH) and quasidegenerate (QD) light neutrino mass spectra. We show, in particular, that for NH and IH {nu}-mass spectrum and negligible lightest neutrino mass, all three l{sub i}{yields}l{sub j}+{gamma} decay branching ratios, BR(l{sub i}{yields}l{sub j}+{gamma}), depend on one Majorana phase, one leptogenesis CPV parameter and on the 3-neutrino oscillation parameters; if the CHOOZ mixing angle {theta}{sub 13} is sufficiently large, they depend on the Dirac CPV phase in the PMNS matrix. The ''double ratios'' R(21/31){approx}BR({mu}{yields}e+{gamma})/BR({tau}{yields}e+{gamma}) and R(21/32){approx}BR({mu}{yields}e+{gamma})/BR({tau}{yields}{mu}+{gamma}) are determined by these parameters. The same Majorana phase enters into the NH and IH expressions for the effective Majorana mass in neutrinoless double beta decay, .

  9. 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.

  10. Indoor formaldehyde removal by thermal catalyst: kinetic characteristics, key parameters, and temperature influence.

    PubMed

    Xu, Qiujian; Zhang, Yinping; Mo, Jinhan; Li, Xinxiao

    2011-07-01

    Thermal catalytic oxidation (TCO) technology can continuously degrade formaldehyde at room temperature without added energy. However, there is very little knowledge on the TCO kinetic reaction mechanism, which is necessary in developing such air cleaners and in comparison with other air cleaning techniques. This paper addresses the problem of a novel TCO catalyst, Pt/MnO(x)-CeO(2). The experiments measuring the outlet concentrations of formaldehyde and other possible byproducts were conducted at temperatures of 25, 40, 60, 100, and 180 °C and at a series of inlet formaldehyde concentrations (280-3000 ppb). To measure the concentrations precisely and real timely, proton transfer reaction-mass spectrometry (PTR-MS) was used. We found the following from the experimental results: (1) no byproducts were detected; (2) the bimolecular L-H kinetic model best described the catalytic reaction rate; (3) the activation energy of the oxidation was about 25.8 kJ mol(-1); (4) TCO is most energy efficient at room temperature without auxiliary heating; (5) compared with photocatalytic oxidation (PCO) which needs ultraviolet light radiation, the reaction area of TCO can be much larger for a given volume so that TCO can perform much better not only in formaldehyde removal efficiency but also in energy saving. PMID:21667968

  11. Influence of operational parameters and kinetics analysis on the photocatalytic reduction of Cr(VI) by immobilized ZnO.

    PubMed

    Behnajady, Mohammad A; Mansoriieh, Nafiseh; Modirshahla, Nasser; Shokri, Mohammad

    2012-01-01

    In the present work the performance of immobilized ZnO on a glass plate with the heat attachment method has been described for photoreduction of Cr(VI) to the less harmful Cr(III) at different operational parameters. The photoreduction of Cr(VI) on the surface of the immobilized ZnO catalyst was studied as a function of the pH of solution, initial Cr(VI) concentration and ultraviolet (UV) light intensity. Results indicated that the reduction rate decreases with increasing initial concentration of Cr(VI) and initial pH of solution, whereas it increases with increasing UV light intensity. The photoreduction rate of Cr(VI) on the surface of the immobilized ZnO in the presence of O2 as mobile gas is more than Ar and N2. The reduction process of Cr(VI) by immobilized ZnO also could be done under visible light irradiation. Pseudo first-order kinetics were observed for the photoreduction of Cr(VI) at different operational conditions. With non-linear regression analysis a mathematical kinetics model was developed for the pseudo first-order constant (k(ap)) as a function of operational parameters. PMID:22519111

  12. 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.

  13. A neural network approach for the prediction of in vitro culture parameters for maximum biomass yields in hairy root cultures.

    PubMed

    Prakash, Om; Mehrotra, Shakti; Krishna, Aneesh; Mishra, Bhartendu N

    2010-08-21

    The present study deals with ANN based prediction of culture parameters in terms of inoculum density, pH and volume of growth medium per culture vessel and sucrose content of the growth medium for Glycyrrhiza hairy root cultures. This kind of study could be a model system in exploitation of hairy root cultures for commercial production of pharmaceutical compounds using large bioreactors. The study is aimed to evaluate the efficiency of regression neural network and back propagation neural network for the prediction of optimal culture conditions for maximum hairy root biomass yield. The training data for regression and back propagation networks were primed on the basis of function approximation, where final biomass fresh weight (f(wt)) was considered as a function of culture parameters. On this basis the variables in culture conditions were described in the form of equations which are for inoculum density: y=0.02x+0.04, for pH of growth medium: y=x+2.8, for sucrose content in medium: y=9.9464x+(-9.7143) and for culture medium per culture vessel: y=10x. The fresh weight values obtained from training data were considered as target values and further compared with predicted fresh weight values. The empirical data were used as testing data and further compared with values predicted from trained networks. Standard MATLAB inbuilt generalized regression network with radial basis function radbas as transfer function in layer one and purelin in layer two and back propagation having purelin as transfer function in output layer and logsig in hidden layer were used. Although in comparative assessment both the networks were found efficient for prediction of optimal culture conditions for high biomass production, more accuracy in results was seen with regression network. PMID:20561985

  14. Enhancing the heat stability and kinetic parameters of the maize endosperm ADP-glucose pyrophosphorylase using iterative saturation mutagenesis.

    PubMed

    Boehlein, Susan K; Shaw, Janine R; Stewart, Jon D; Sullivan, Bradford; Hannah, L Curtis

    2015-02-15

    Iterative saturation mutagenesis (ISM) has been used to improve the thermostability of maize endosperm ADP-glucose pyrophosphorylase (AGPase), a highly-regulated, rate-limiting and temperature-sensitive enzyme essential for starch biosynthesis. The thermo-sensitivity of heterotetrameric AGPase has been linked to grain loss in cereals and improving this property might therefore have direct impacts on grain yield. Nine amino acids were selected for site-saturation mutagenesis on the basis of elevated B-factors in the crystal structure of the closest available homolog (a small subunit homotetramer of potato AGPase). After each round of mutagenesis, iodine staining and antibody capture activity assays at varying temperatures were used to select the optimum positions and amino acid changes for the next rounds of mutagenesis. After three iterations, the signals from whole-colony iodine staining were saturated and a heat stable AGPase variant was obtained. Kinetic studies of the heat stable mutant showed that it also had an unexpected increased affinity for the activator, 3-PGA. This is particularly valuable as both the temperature stability and allosteric properties of AGPase significantly influence grain yield. PMID:25600571

  15. 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.

  16. Use of Pharmacodynamic Parameters To Predict Efficacy of Combination Therapy by Using Fractional Inhibitory Concentration Kinetics

    PubMed Central

    den Hollander, Jan G.; Mouton, Johan W.; Verbrugh, Henri A.

    1998-01-01

    Combination therapy with antimicrobial agents can be used against bacteria that have reduced susceptibilities to single agents. We studied various tobramycin and ceftazidime dosing regimens against four resistant Pseudomonas aeruginosa strains in an in vitro pharmacokinetic model to determine the usability of combination therapy for the treatment of infections due to resistant bacterial strains. For the selection of an optimal dosing regimen it is necessary to determine which pharmacodynamic parameter best predicts efficacy during combination therapy and to find a simple method for susceptibility testing. An easy-to-use, previously described E-test method was evaluated as a test for susceptibility to combination therapy. That test resulted in a MICcombi, which is the MIC of, for example, tobramycin in the presence of ceftazidime. By dividing the tobramycin and ceftazidime concentration by the MICcombi at each time point during the dosing interval, fractional inhibitory concentration (FIC) curves were constructed, and from these curves new pharmacodynamic parameters for combination therapy were calculated (i.e., AUCcombi, Cmax-combi, T>MIC-combi, and T>FICi, where AUCcombi, Cmax-combi, T>MIC-combi, and T>FICi are the area under the FICcombi curve, the peak concentration of FICcombi, the time that the concentration of the combination is above the MICcombi, and the time above the FIC index, respectively). By stepwise multilinear regression analysis, the pharmacodynamic parameter T>FICi proved to be the best predictor of therapeutic efficacy during combination therapy with tobramycin and ceftazidime (R2 = 0.6821; P < 0.01). We conclude that for combination therapy with tobramycin and ceftazidime the T>FICi is the parameter best predictive of efficacy and that the E-test for susceptibility testing of combination therapy gives promising results. These new pharmacodynamic parameters for combination therapy promise to provide better insight into the rationale behind combination therapy. PMID:9559776

  17. Characterization of kinetic and thermodynamic parameters of cyanidin-3-glucoside methyl and glucuronyl metabolite conjugates.

    PubMed

    Cruz, Luís; Basílio, Nuno; Mateus, Nuno; Pina, Fernando; de Freitas, Victor

    2015-02-01

    The determination of rate and equilibrium constants of anthocyanin metabolites with in vivo occurrence, cyanidin-4'-O-methyl-3-glucoside (Cy4'Me3glc) and cyanidin-7-O-glucuronyl-3-glucoside (Cy7Gluc3glc), was carried out for the first time by means of direct and reverse pH jumps. The thermodynamics and kinetics of these compounds are similar to the anthocyanin monoglucosides in particular for the analogous cyanidin-3-glucoside (Cy3glc) and peonidin-3-glucoside (Peo3glc). The rate and equilibrium constants of metabolites were also compared with malvin (malvidin 3,5-diglucoside) and with a bioinspired compound 3',4'-dihydroxy-7-O-glucopyranosyloxyflavylium (DGF). In Cy4'Me3glc and Cy7Gluc3glc the rate of hydration for a fixed pH value is slower than in DGF and the dominant species at moderately acidic solutions is the hemiketal. Oppositely, in DGF trans-chalcone is the dominant species at moderately acidic solutions. PMID:25622073

  18. Kinetics of phosphorus and potassium release from rock phosphate and waste mica enriched compost and their effect on yield and nutrient uptake by wheat (Triticum aestivum).

    PubMed

    Nishanth, D; Biswas, D R

    2008-06-01

    An attempt was made to study the efficient use of rice straw and indigenous source of phosphorus and potassium in crop production through composting technology. Various enriched composts were prepared using rice straw, rock phosphate (RP), waste mica and bioinoculant (Aspergillus awamori) and kinetics of release of phosphorus and potassium from enriched composts and their effect on yield and nutrient uptake by wheat (Triticum aestivum) were carried out. Results showed sharp increases in release in water-soluble P and K from all the composts at 8th to 12th day of leaching, thereafter, it decreased gradually. Maximum release of water-soluble P and K were obtained in ordinary compost than enriched composts during the initial stages of leaching, but their differences narrowed down at latter stages. Data in pot experiments revealed that enriched composts performed poorly than diammonium phosphate during initial stages of crop growth, but they out yielded at the latter stages, particularly at maturity stage, as evident from their higher yield, uptake, nutrient recoveries and fertility status of P and K in soils. Moreover, enriched composts prepared with RP and waste mica along with A. awamori resulted in significantly higher biomass yield, uptake and recoveries of P and K as well as available P and K in soils than composts prepared without inoculant. Results indicated that enriched compost could be an alternate technology for the efficient management of rice straw, low-grade RP and waste mica in crop production, which could help to reduce the reliance on costly chemical fertilizers. PMID:17905580

  19. Removal of Anionic Dyes from Water by Potash Alum Doped Polyaniline: Investigation of Kinetics and Thermodynamic Parameters of Adsorption.

    PubMed

    Patra, Braja N; Majhi, Deola

    2015-06-25

    Polyaniline was synthesized by the oxidative polymerization method by using ammonium persulfate as an oxidant. The positive charge in the backbone of the polymer was generated by using Potash alum as a dopant. Scanning electron microscopy (SEM), Fourier transform infrared (FTIR), X-ray fluorescence (XRF), and X-ray diffraction (XRD) techniques were used for characterization of doped polyaniline. The doped polyaniline can be used for selective adsorption of various dyes (selectively sulfonated dyes) from aqueous solution. Adsorption studies regarding the effect of contact time, initial dye concentration, pH, doses of adsorbent, and temperature on adsorption kinetics were investigated. The influence of other anions like Cl(-), NO3(-), and SO4(2-) on the adsorption density of dyes onto doped polyaniline was also explored. Langmuir isotherm and pseudo-second-order kinetics were found to be the most appropriate models to describe the removal of anionic dyes from water through adsorption. Thermodynamic parameters such as free energy (?G(0)), enthalpy (?H(0)), and entropy (?S(0)) changes were also evaluated. The interaction of dyes with doped polyaniline was also investigated by FTIR and UV spectroscopy. PMID:26079693

  20. Influence of annealing on kinetic trapping parameters in LiF:Mg,Cu,P thermoluminescent phosphors

    Microsoft Academic Search

    T.-C. Chen; T. G. Stoebe

    1998-01-01

    Three types of LiF:Mg,Cu,P phosphors with different pre-annealing temperatures have been studied using glow curve analysis techniques. The principal dosimetric glow peak near 230°C is confirmed to be composed of two overlapping peaks. Both MCP-N pellets and GR200 chips show significant changes in peak temperature, peak height and trapping parameters after being annealed at temperatures higher than 260°C. Specifically, the

  1. Estimates of genetic parameters for total milk yield over multiple ages in Brazilian Murrah buffaloes using different models.

    PubMed

    Sesana, R C; Baldi, F; Borquis, R R A; Bignardi, A B; Hurtado-Lugo, N A; El Faro, L; Albuquerque, L G; Tonhati, H

    2014-01-01

    The objective of this study was to estimate variance components and genetic parameters for accumulated 305-day milk yield (MY305) over multiple ages, from 24 to 120 months of age, applying random regression (RRM), repeatability (REP) and multi-trait (MT) models. A total of 4472 lactation records from 1882 buffaloes of the Murrah breed were utilized. The contemporary group (herd-year-calving season) and number of milkings (two levels) were considered as fixed effects in all models. For REP and RRM, additive genetic, permanent environmental and residual effects were included as random effects. MT considered the same random effects as did REP and RRM with the exception of permanent environmental effect. Residual variances were modeled by a step function with 1, 4, and 6 classes. The heritabilities estimated with RRM increased with age, ranging from 0.19 to 0.34, and were slightly higher than that obtained with the REP model. For the MT model, heritability estimates ranged from 0.20 (37 months of age) to 0.32 (94 months of age). The genetic correlation estimates for MY305 obtained by RRM (L23.res4) and MT models were very similar, and varied from 0.77 to 0.99 and from 0.77 to 0.99, respectively. The rank correlation between breeding values for MY305 at different ages predicted by REP, MT, and RRM were high. It seems that a linear and quadratic Legendre polynomial to model the additive genetic and animal permanent environmental effects, respectively, may be sufficient to explain more parsimoniously the changes in MY305 genetic variation with age. PMID:24782092

  2. Morphological Manipulation of Solvothermal Prepared CdSe Nanostructures by Controlling the Growth Rate of Nanocrystals as a Kinetic Parameter

    NASA Astrophysics Data System (ADS)

    Zarghami, V.; Mohammadi, M. R.; Fray, D. J.

    2012-11-01

    The morphological manipulation, structural characterization, and optical properties of different cadmium selenide (CdSe) nanostructures are reported. Two different CdSe nanostructures, i.e., nanorods and nanoparticles, were grown by controlling the concentration of precursors (i.e., cadmium nitrate and selenium dioxide) in ethanolamine solvent. By manipulating the kinetic parameter of the process (i.e., growth rate) under constant growth driving force (i.e., degree of supersaturation), the morphology of CdSe nanostructures can be tailored from nanorods to nanoparticles. The optical properties of CdSe nanostructures were investigated using ultraviolet-visible (UV-vis) spectroscopy. The absorption edge of the samples showed a blue-shift. CdSe nanostructures prepared under optimized conditions showed good microstructural and optical properties for solar cell applications.

  3. 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.

  4. Determination of kinetic and thermodynamic parameters that describe isothermal seed germination: A student research project

    NASA Astrophysics Data System (ADS)

    Hageseth, Gaylord T.

    1982-02-01

    Students under the supervision of a faculty member can collect data and fit the data to the theoretical mathematical model that describes the rate of isothermal seed germination. The best-fit parameters are interpreted as an initial substrate concentration, product concentration, and the autocatalytic reaction rate. The thermodynamic model enables one to calculate the activation energy for the substrate and product, the activation energy for the autocatalytic reaction, and changes in enthalpy, entropy, and the Gibb's free energy. Turnip, lettuce, soybean, and radish seeds have been investigated. All data fit the proposed model.

  5. The kinetic Sunyaev-Zel'dovich signal from inhomogeneous reionization: a parameter space study

    NASA Astrophysics Data System (ADS)

    Mesinger, Andrei; McQuinn, Matthew; Spergel, David N.

    2012-05-01

    Inhomogeneous reionization acts as a source of arcminute-scale anisotropies in the cosmic microwave background (CMB), the most important of which is the kinetic Sunyaev-Zel'dovich (kSZ) effect. Observational efforts with the Atacama Cosmology Telescope (ACT) and the South Pole Telescope (SPT) are poised to detect this signal for the first time, with projected 1 ? K2-level sensitivity to the dimensionless kSZ power spectrum around a multipole of l= 3000, [?l3000]2. Indeed, recent SPT measurements place a bound of [?l3000 ]2 < 2.8 ? K2 at 95 per cent confidence level, which degrades to [?l3000 ]2 < 6 ? K2 if a significant correlation between the thermal Sunyaev-Zel'dovich (tSZ) effect and the cosmic infrared background (CIB) is allowed. To interpret these and upcoming observations, we compute the kSZ signal from a suite of ?100 reionization models using the publicly available code 21CMFAST. Our physically motivated reionization models are parametrized by the ionizing efficiency of high-redshift galaxies, the minimum virial temperature of haloes capable of hosting stars, and the ionizing photon mean free path - a parametrization motivated by previous theoretical studies of reionization. We predict the contribution of patchy reionization to the l= 3000 kSZ power to be ? 1.5-3.5 ? K2. Therefore, even when adopting the lowest estimate in the literature for the post-reionization signal of ?, none of our models are consistent with the aggressive 2? SPT bound that does not include correlations. This implies the following: (i) the early stages of reionization occurred in a much more homogeneous manner than suggested by the stellar-driven scenarios we explore, such as would be the case if, e.g. very high energy X-rays or exotic particles contributed significantly and/or (ii) that there is a significant correlation between the CIB and the tSZ. The later is perhaps not surprising, as massive haloes should host both hot gas and star-forming galaxies. On the other hand, the conservative SPT bound of [?l3000 ]2? 6 ? K2 is compatible with all of our models and is on the threshold of constraining physically motivated reionization models. The largest patchy kSZ signals correspond to an extended reionization process, in which the sources of ionizing photons are abundant and there are many recombinations (absorptions in sinks). We point out that insights into the astrophysics of the early Universe are encoded in both the amplitude and shape of the kSZ power spectrum.

  6. 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

  7. EFFECTS OF SILICON ON YIELD CONTRIBUTING PARAMETERS AND ITS ACCUMULATION IN ABAXIAL EPIDERMIS OF SUGARCANE LEAF BLADES USING ENERGY DISPERSIVE X-RAY ANALYSIS

    Microsoft Academic Search

    S. M. Bokhtiar; Hai-Rong Huang; Yang-Rui Li; V. A. Dalvi

    2012-01-01

    Effects of silicon (Si), supplied as calcium silicate (Ca-silicate) fertilizer on yield contributing parameters in sugarcane like chlorophyll content, gas exchange characteristics, leaf nutrient concentrations and its effects on soil fertility were evaluated. Seven rates of Ca-silicate (0, 20, 40, 60, 80, 120 and 150 g pot) were applied with traditional fertilizers and plants were grown in a greenhouse. The

  8. 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

  9. Interactive Effects of Elevated CO2 Concentration and Irrigation on Photosynthetic Parameters and Yield of Maize in Northeast China

    PubMed Central

    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

  10. The effect of climatic parameters and organic-mineral fertilization on potato yields in a long-term field experiment

    Microsoft Academic Search

    Jan Haberle; Peter Ivi?ic

    2006-01-01

    The yield variability of potatoes over 12 years from 1980 – 2001 in a long-term fertilization experiment in Prague-Ruzyn? was analysed. The regression analysis showed a positive linear relationship between yields and average temperature in April and May – the correlation coefficient (r) ranged from 0.47 – 0.78 in 24 treatments. A similar relation was found for the average minimum and maximum temperatures in the same

  11. 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, E-mail: hongli_du@126.com [Institute of Material Science and Engineering, Shijiazhuang University of Economics, Shijiazhuang 050031 (China); Zhang, Wei [Institute of Hydrogeology and Environmental Geology, Chinese Academy of Geological Sciences, Shijiazhuang 050061 (China); Li, Yan [Institute of Material Science and Engineering, Shijiazhuang University of Economics, Shijiazhuang 050031 (China)

    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.

  12. Pyrolysis of safflower (Charthamus tinctorius L.) seed press cake: part 1. The effects of pyrolysis parameters on the product yields.

    PubMed

    Sensöz, Sevgi; Angin, Dilek

    2008-09-01

    Safflower (Charthamus tinctorius L.) seed press cake was pyrolysed in a fixed-bed reactor. The effects of pyrolysis temperature, heating rate and sweep gas flow rates on the yields of the products were investigated. Pyrolysis runs were performed using pyrolysis temperatures between 400 and 600 degrees C with heating rates of 10, 30 and 50 degrees C min(-1). The obtained bio-char, gas and bio-oil yields ranged between 25 and 34 wt%, 19 and 25 wt%, and 28 and 36 wt%, respectively, at different pyrolysis conditions. The highest liquid yield was obtained at 500 degrees C pyrolysis temperature with a heating rate of 50 degrees C min(-1) under the sweep gas of N(2) with a flow rate of 100 cm(3)min(-1). Employing the higher heating rate of 50 degrees C min(-1) results in maximum bio-oil yield, probably due to the decrease in mass transfer limitations. According to the results obtained under the conditions of this study, the effects of pyrolysis temperature and sweep gas flow rate are more significant than the effect of heating rate on the yields. PMID:18068973

  13. Kinetics of nonisothermal adsorption by biporous adsorbents. Communication 5. Analytical description of the temperature curves and determination of mass- and heat-transfer parameters

    SciTech Connect

    Bezus, A.G.; Voloshchuk, A.M.; Gorlov, V.A.; Dubinin, M.M.; Zikanova, A.; Kochirzhik, M.

    1987-01-10

    The authors have presented an analytical description of the temperature and kinetic curves for adsorbent granules in the form of plates, and they have proposed methods for the determination of the mass- and heat-transfer parameters based on experimental temperature curves. In the case of the Xe-CaA system the adsorption process is controlled by the external heat transfer.

  14. Monitoring yield and fruit quality parameters in open-canopy tree crops under water stress. Implications for ASTER

    Microsoft Academic Search

    G. Sepulcre-Cantó; P. J. Zarco-Tejada; J. C. Jiménez-Muñoz; J. A. Sobrino; M. A. Soriano; E. Fereres; V. Vegad; M. Pastor

    2007-01-01

    Work on water stress detection at tree and orchard levels using a high-spatial airborne thermal sensor is presented, showing its connection with yield and some fruit quality indicators in olive and peach commercial orchards under different irrigation regimes. Two airborne campaigns were conducted with the Airborne Hyperspectral Scanner (AHS) over olive and peach orchards located in Córdoba, southern Spain. The

  15. 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.

  16. 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.

  17. Ion kinetic energy distributions and their relationship to fundamental plasma parameters in a radio frequency glow discharge source

    Microsoft Academic Search

    Steven J. Christopher; R. Yuancai Ye; Kenneth Marcus

    1997-01-01

    Studies are performed to evaluate the effect of discharge power, pressure, and sampling position on the kinetic energy of ions sampled from a radio frequency glow discharge (rf-GD) source. The average kinetic energy of ions decreases with increases in discharge power (20–40 W) and pressure (130–300 mTorr), with typical values lying in the range of 10–14 eV. Average ion kinetic

  18. The effect of temperature on oil quality and yield parameters of high- and low-erucic acid Cruciferae seeds (rape and mustard)

    Microsoft Academic Search

    Zohara Yaniv; D. Schafferman; M. Zur

    1995-01-01

    The oil content, seed yield parameters and fatty acid composition of high- and low-erucic acid Brassica (napus and hirta) seed oils were studied under three different controlled-temperature regimes: low, 12\\/17 °C; medium, 17\\/22 °C; and high, 22\\/27 °C. No fruit set was obtained beyond 27 °C.Under low temperatures, seeds of high-erucic acid Brassica napus var. Norin and Brassica hirta (Sinapis

  19. 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

  20. Infrared Warming Reduced Winter Wheat Yields and Some Physiological Parameters, Which Were Mitigated by Irrigation and Worsened by Delayed Sowing

    PubMed Central

    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

  1. Model of curing shrinkage and kinetic parameters of an acrylate-based ultraviolet-embossing resist based on free volume theory

    NASA Astrophysics Data System (ADS)

    Liu, Nan; Liu, Jingbei; Lin, Jie; Davies, Graham; Jin, Peng; Zhang, Dou

    2013-04-01

    Free volume theory and a model of polymerization kinetics are introduced to predict and analyze the curing shrinkage and kinetic parameters of an acrylate-based ultraviolet-embossing resist. Curing shrinkage tests have been designed and performed to verify the accuracy of the model. The experimental results are in good agreement with the simulated results of the conversion behavior. The reaction coefficients of polymerization predicted by this model are essentially correct when compared to the classical experimental values. Moreover, the dynamic shrinkage during polymerization determined experimentally matches the simulated result predicted by our model.

  2. Genetic parameters and correlations of collar rot resistance with important biochemical and yield traits in opium poppy (Papaver somniferum L.).

    PubMed

    Trivedi, Mala; Tiwari, Rajesh K; Dhawan, Om P

    2006-01-01

    Collar rot, caused by Rhizoctonia solani Kühn, is one of the most severe fungal diseases of opium poppy. In this study, heritability, genetic advance and correlation for 10 agronomic, 1 physiological, 3 biochemical and 1 chemical traits with disease severity index (DSI) for collar rot were assessed in 35 accessions of opium poppy. Most of the economically important characters, like seed and capsule straw yield per plant, oil and protein content of seeds, peroxidase activity in leaves, morphine content of capsule straw and DSI for collar rot showed high heritability as well as genetic advance. Highly significant negative correlation between DSI and seed yield clearly shows that as the disease progresses in plants, seed yield declines, chiefly due to premature death of infected plants as well as low seed and capsule setting in the survived population of susceptible plants. Similarly, a highly significant negative correlation between peroxidase activity and DSI indicated that marker-assisted selection of disease-resistant plants based on high peroxidase activity would be effective and survived susceptible plants could be removed from the population to stop further spread. PMID:16424606

  3. Synthesis of carbon nanotubes by catalytic vapor decomposition (CVD) method: Optimization of various parameters for the maximum yield

    NASA Astrophysics Data System (ADS)

    Samant, Kanchan M.; Haram, Santosh K.; Kapoor, Sudhir

    2007-01-01

    This paper describes an effect of flow rate, carrier gas (H_2, N_2 and Ar) composition, and amount of benzene on the quality and the yield of carbon nanotubes (CNTs) formed by catalytical vapour decomposition (CVD) method. The flow and mass control of gases and precursor vapors respectively were found to be interdependent and therefore crucial in deciding the quality and yield of CNTs. We have achieved this by modified soap bubble flowmeter, which controlled the flow rates of two gases, simultaneously. With the help of this set-up, CNTs could be prepared in any common laboratory. Raman spectroscopy indicated the possibilities of formation of single-walled carbon nanotubes (SWNTs). From scanning electron microscopy (SEM) measurements, an average diameter of the tube/bundle was estimated to be about 70 nm. The elemental analysis using energy dispersion spectrum (EDS) suggested 96 at.wt.% carbon along with ca. 4 at.wt. % iron in the as-prepared sample. Maximum yield and best quality CNTs were obtained using H_2 as the carrier gas.

  4. 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

  5. Determination of the uncertainty domain of the Arrhenius parameters needed for the investigation of combustion kinetic models

    Microsoft Academic Search

    Tibor Nagy; Tamás Turányi

    Many articles have been published on the uncertainty analysis of high temperature gas kinetic systems that are based on detailed reaction mechanisms. In all these articles a temperature independent relative uncertainty of the rate coefficient is assumed, although the chemical kinetics databases suggest temperature dependent uncertainty factors for most of the reactions. The temperature dependence of the rate coefficient is

  6. Determination of the equilibrium, kinetic and thermodynamic parameters of the batch biosorption of nickel(II) ions onto Chlorella vulgaris

    Microsoft Academic Search

    Z. Aksu

    2002-01-01

    Although the search for new and innovative treatment technologies has focused attention on the metal binding capacities of various microorganisms, the kinetics of the metal uptake process and the description of the thermal properties of biosorption remain essentially unknown. Biosorption equilibrium, kinetics and thermodynamics of nickel(II) ions to Chlorella vulgaris were studied in a batch system with respect to temperature

  7. Systematics of Fission-Product Yields

    SciTech Connect

    A.C. Wahl

    2002-05-01

    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.

  8. Kinetic and thermodynamic parameters for thermal denaturation of ovine milk lactoferrin determined by its loss of immunoreactivity.

    PubMed

    Navarro, F; Harouna, S; Calvo, M; Pérez, M D; Sánchez, L

    2015-07-01

    Lactoferrin is a protein with important biological functions that can be obtained from milk and by-products derived from the dairy industry, such as whey. Although bovine lactoferrin has been extensively studied, ovine lactoferrin is not quite as well known. In the present study, the effect of several heat treatments in 3 different media, over a temperature range from 66 to 75°C, has been studied on lactoferrin isolated from sheep milk. Denaturation of lactoferrin was determined by measuring its immunoreactivity with specific polyclonal antibodies. Kinetic and thermodynamic parameters obtained indicate that lactoferrin denatures by heat more rapidly in whey than in phosphate buffer or milk. The value of activation energy found for the denaturation process of lactoferrin when treated in whey is higher (390kJ/mol) than that obtained in milk (194kJ/mol) or phosphate buffer (179kJ/mol). This indicates that a great amount of energy is necessary to start denaturation of ovine lactoferrin, probably due to the interaction of this protein with other whey proteins. The changes in the hydrophobicity of lactoferrin after heat treatments were determined by fluorescence measurement using acrylamide. The decrease in the hydrophobicity constant was very small for the treatments from 66 to 75°C, up to 20min, which indicates that lactoferrin conformation did not experienced a great change. The results obtained in this study permit the prediction of behavior of ovine lactoferrin under several heat treatments and show that high-temperature, short-time pasteurization (72°C, 15 s) does not cause loss of its immunoreactivity and, consequently, would not affect its conformation and biological activity. PMID:25958286

  9. Effects of supercritical carbon dioxide extraction parameters on virgin coconut oil yield and medium-chain triglyceride content

    Microsoft Academic Search

    N. A. Nik Norulaini; W. B. Setianto; I. S. M. Zaidul; A. H. Nawi; C. Y. M. Azizi; A. K. Mohd Omar

    2009-01-01

    The extraction of coconut oil has been performed using supercritical carbon dioxide (SC-CO2). The extractions were performed at pressure and temperature ranges of 20.7–34.5MPa and 40–80°C, respectively. It was observed that almost all (more than 99%) of the total oil could be extracted. Response surface methodology (RSM) was applied to evaluate the effects of the parameters (pressure, temperature and CO2

  10. 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

  11. Measurement of minimum substrate concentration (Smin) in a recycling fermentor and its prediction from the kinetic parameters of Pseudomonas strain B13 from batch and chemostat cultures.

    PubMed Central

    Tros, M E; Bosma, T N; Schraa, G; Zehnder, A J

    1996-01-01

    The minimum substrate concentration required for growth, Smin, was measured for Pseudomonas sp. strain B13 with 3-chlorobenzoate (3CB) and acetate in a recycling fermentor. The substrates were provided alone or in a mixture. Smin values predicted with kinetic parameters from resting-cell batches and chemostat cultures differed clearly from the values measured in the recycling fermentor. When 3CB and acetate were fed as single substrates, the measured Smin values were higher than the individual Smin values in the mixture. The Smin in the mixture reflected the relative energy contributions of the two substrates in the fermentor feed. The energy-based maintenance coefficients during zero growth in the recycling fermentor were comparable for all influent compositions (mean +/- standard deviation, 0.34 +/- 0.07 J mg [dry weight]-1 h-1). Maintenance coefficient values for acetate were significantly higher in chemostat experiments than in recycling-fermentor experiments. 3CB maintenance coefficients were comparable in both experimental systems. The parameters for 3CB consumption kinetics varied remarkably with the experimental growth conditions in batch, chemostat, and recycling-fermentor environments. The results demonstrate that the determination of kinetic parameters in the laboratory for prediction of microbial activity in complex natural systems should be done under conditions which best mimic the system under consideration. PMID:8967775

  12. Evaluating the impact of extraction and cleanup parameters on the yield of total petroleum hydrocarbons in soil.

    PubMed

    Saari, Eija; Perämäki, Paavo; Jalonen, Jorma

    2008-11-01

    Interlaboratory comparisons for the analysis of mineral oil in polluted soil using the GC-FID method indicate that extraction and cleanup conditions have significant effects on the analytical results. In this investigation a ruggedness test was performed on the extraction and cleanup method for the determination of total petroleum hydrocarbons in soil. A two-level Plackett-Burman design was utilized to study the effect of 11 different method parameters on the extraction recovery of total petroleum hydrocarbons (TPH) in soil. Both qualitative and quantitative factors were investigated. The results indicate that total petroleum hydrocarbons can be relatively reliably monitored through strict implementation of the ISO and CEN draft standards. However, variation in certain method parameters readily affects the validity of the results. The most critical factors affecting TPH recovery were the solvent and co-solvent used for extraction, the extraction time, adsorbent and its weight and sample TPH concentration. Because adaptation of the draft standards especially with respect to these factors easily leads to TPH recoveries higher than 200% or lower than 70%, the validity of the adapted method should always be verified. A proper estimate of the expanded uncertainty should also be appended to TPH results, because only then can the reliability of the results be guaranteed and further justification is gained to support the end-use of the data. This also supports the credibility of the analytical services and prevents the data end-users from drawing misleading conclusions concerning the environmental risks and potential remediation requirements. PMID:18777171

  13. 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 (Legm ) 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

  14. Application of the genetic algorithm to estimate the parameters related to the kinetics of the reduction of the iron ore, coal mixture

    SciTech Connect

    Kumar, A.; Roy, G.G. [Indian Institute of Technology, Kharagpur (India)

    2005-12-01

    A novel methodology has been developed to calculate the kinetic parameters associated with reduction of ore-coal composite mixtures and to describe the time course of reduction of hematite to iron. The empirical parameters, namely, the three sets of activation energies and frequency factors, have been estimated by employing an evolutionary optimization tool, the genetic algorithm (GA). The model prediction matches well with the experimental literature data. The estimated activation energies are higher than the corresponding intrinsic values, indicating the role of heat transfer in the process.

  15. Effects of training on lactate kinetics parameters and their influence on short high-intensity exercise performance.

    PubMed

    Messonnier, L; Freund, H; Denis, C; Féasson, L; Lacour, J-R

    2006-01-01

    The purpose of the present study was to relate the training-induced alterations in lactate kinetics parameters to the concomitant changes in time to exhaustion (T(lim)) at a work rate corresponding to maximal oxygen uptake (Pa(peak)). Eight subjects performed before and after training i) an incremental exercise up to exhaustion to determine Pa(peak), ii) a 5-min 90 % Pa(peak) exercise followed by a 90-min passive recovery to determine an individual blood lactate recovery curve fitted to the bi-exponential time function: La(t) = La(0) + A1(1 - e -gamma1 x t) + A2(1 - e -gamma2 x t), and iii) a time to exhaustion at Pa peak to determine T lim. A biopsy of the vastus lateralis muscle was made before and after training. The training programme consisted in pedalling on a cycle ergometer 2 h a day, 6 days a week, for 4 weeks. Training-induced increases (p < 0.05) in Pa(peak), muscle capillary density, citrate synthase activity, gamma2 that denotes the lactate removal ability (from 0.0547 +/- 0.0038 to 0.0822 +/- 0.0071 min (-1)) and T(lim) (from 299 +/- 23 to 486 +/- 63 s), decreases (p < 0.05) in activities of lactate dehydrogenase (LDH) and muscle type of LDH, the phosphofructokinase/citrate synthase activities ratio and the estimated net amount of lactate released (NALR) during exercise recovery (from 66.5 +/- 8.6 to 47.2 +/- 11.1 mmol) were also observed. The improvement of T (lim) with training was related to the increase in gamma2 (r = 0.74, p = 0.0367) and to the decrease in NALR (r = 0.77, p = 0.0250). These results suggest that the post-training greater ability to remove lactate from the organism and reduced muscle lactate accumulation during exercise account for the concomitant improvement of the time to exhaustion during high-intensity exercise performed at the same relative work rate. PMID:16388444

  16. A new approach to relate kinetic parameters, composition and temperatures of igneous minerals: the case of Villarrica Volcano 1971 eruption

    NASA Astrophysics Data System (ADS)

    Contreras, C.; Parada, M. A.; Morgado, E. E.; Castruccio, A.

    2014-12-01

    This contribution provides a new approach to calculate the plagioclase composition of a given igneous rock based on kinetics parameters of crystallization obtained from CSD analyses of plagioclase. The procedure we use includes the following steps: 1) determination of the effective rates of crystal growth and nucleation based on the maximum time interval of mineral crystallization obtained from the CSD segment with the minimum slope and extrapolated to rest of the segments; 2) calculation of the total crystallization time; 3) determination of the time-dependent variation of plagioclase volume fraction based on crystal population density and CSD slopes; 4) calculation of the ideal rates of crystal growth and nucleation; 5) determination of temperature of plagioclase crystallization as a function of the ideal crystal growth rate; 6) determination of plagioclase composition as a function of the ideal crystal growth rate. We apply our model for plagioclase of 17 samples of The Villarrica Volcano 1971 eruption lava flow. All CSD show two segments with a break at 0.3 mm. The first segment is interpreted as the syn-eruptive crystallization and the second as the within-reservoir crystallization. An interval of 1.5 years as a maximum crystallization time for the syn-eruptive stage was estimated from Cashman's (1993) expression. Crystal growth rates in the reservoir stage took place during two stages. The first stage varies from 10^-8.9 to 10^-9.4 mm s-1 and the second one varied from 10^-9.4 to 10^-9.1 mm s-1. Finally, the crystal growth rate as high as 10^-7.8 mm s-1 were estimated for the syn-eruptive stage. Nucleation rates varies exponentially from 10^-13 to 10^-8 s-1 in the reservoir stage and from 10^-8 to 10^-1 s^-1 in the syn-eruptive stage. The total crystallization interval varies from 120 to 390 years. A mean total volume fraction of plagioclase of 0.55 was obtained (0.98 for all minerals) whereas a mean value of 0.054 was obtained at the onset of the eruption (0.096 for all minerals). An empirical relation between the crystal growth rate and the XAn was obtained for plagioclases of the studied eruption. Thus, a variation of 232° C for the whole plagioclase crystallization history was obtained.

  17. VERY LONG BASELINE NEUTRINO OSCILLATION EXPERIMENTS FOR PRECISE MEASURMENTS OF OSCILLATION PARAMETERS AND SEARCH FOR N MU YIELDS N EPSILON.

    SciTech Connect

    DIWAN,M.; MARCIANO,W.; WENG,W.; BEAVIS,D.; BRENNAN,M.; CHEN,M.C.; FERNOW,R.; ET AL

    2002-10-18

    Brookhaven National Laboratory and collaborators started a neutrino working group to identify new opportunities in the field of neutrino oscillations and explore how our laboratory facilities can be used to explore this field of research. The memo to the working group and the charge are included in Appendix I. This report is the result of the deliberations of the working group. Previously, we wrote a letter of intent to build a new high intensity neutrino beam at BNL. A new intense proton beam will be used to produce a conventional horn focused neutrino beam directed at a detector located in either the Homestake mine in Lead, South Dakota at 2540 km or the Waste Isolation Pilot Plant (WIPP) in Carlsbad, NM at 2880 km. As a continuation of the study that produced the letter of intent, this report examines several items in more detail. We mainly concentrate on the use of water Cherenltov detectors because of their size, resolution, and background rejection capability, and cost. We examine the prospects of building such a detector in the Homestake mine. The accelerator upgrade will be carried out in phases. We expect the first phase to yield a 0.4 MW proton beam and the second phase to result in a 1.0 MW beam. The details of this upgrade will be reported in a companion report. In this report we assume accelerator intensity of 1 MW for calculating event rates and spectra. We also assume a total experimental duration of 5 years with running time of 10{sup 7} seconds per year. We examine the target station and the horn produced neutrino beam with focus on two topics: target and horn design for a 1 MW beam and the broad band spectrum of neutrinos from a 28 GeV proton beam.

  18. Impact of process parameters on the breakage kinetics of poorly water-soluble drugs during wet stirred media milling: a microhydrodynamic view.

    PubMed

    Afolabi, Afolawemi; Akinlabi, Olakemi; Bilgili, Ecevit

    2014-01-23

    Wet stirred media milling has proven to be a robust process for producing nanoparticle suspensions of poorly water-soluble drugs. As the process is expensive and energy-intensive, it is important to study the breakage kinetics, which determines the cycle time and production rate for a desired fineness. Although the impact of process parameters on the properties of final product suspensions has been investigated, scant information is available regarding their impact on the breakage kinetics. Here, we elucidate the impact of stirrer speed, bead concentration, and drug loading on the breakage kinetics via a microhydrodynamic model for the bead-bead collisions. Suspensions of griseofulvin, a model poorly water-soluble drug, were prepared in the presence of two stabilizers: hydroxypropyl cellulose and sodium dodecyl sulfate. Laser diffraction, scanning electron microscopy, and rheometry were used to characterize them. Various microhydrodynamic parameters including a newly defined milling intensity factor was calculated. An increase in either the stirrer speed or the bead concentration led to an increase in the specific energy and the milling intensity factor, consequently faster breakage. On the other hand, an increase in the drug loading led to a decrease in these parameters and consequently slower breakage. While all microhydrodynamic parameters provided significant physical insight, only the milling intensity factor was capable of explaining the influence of all parameters directly through its strong correlation with the process time constant. Besides guiding process optimization, the analysis rationalizes the preparation of a single high drug-loaded batch (20% or higher) instead of multiple dilute batches. PMID:24036164

  19. Quality degradation kinetics of pasteurised and high pressure processed fresh Navel orange juice: Nutritional parameters and shelf life

    Microsoft Academic Search

    A. C. Polydera; N. G. Stoforos; P. S. Taoukis

    2005-01-01

    A kinetic study of post processing quality loss was conducted after high pressure processing (600 MPa, 40 °C, 4 min) or thermal pasteurisation (80 °C, 60 s) of fresh Navel orange juice. Selection of processing conditions was mainly based on pectin methylesterase inactivation. Ascorbic acid loss, colour, viscosity and sensory characteristics were measured during storage at different isothermal conditions (0–30

  20. Alcoholysis catalyzed by Candida antarctica lipase B in a gas/solid system : effects of water on kinetic parameters

    E-print Network

    Paris-Sud XI, Université de

    1 Alcoholysis catalyzed by Candida antarctica lipase B in a gas/solid system : effects of water from Candida antarctica ­ kinetics ­ transesterification ­ water ­ solid/gas biocatalysis - hydration propionate and n-propanol catalyzed by immobilized lipase B from Candida antarctica was studied

  1. Heat transfer and kinetics in the pyrolysis of shrinking biomass particle

    Microsoft Academic Search

    B. V. Babu; A. S. Chaurasia

    2004-01-01

    The impact of shrinkage on pyrolysis of biomass particles is studied employing a kinetic model coupled with heat transfer model using a practically significant kinetic scheme consisting of physically measurable parameters. The numerical model is used to examine the impact of shrinkage on particle size, pyrolysis time, product yields, specific heat capacity and Biot number considering cylindrical geometry. Finite difference

  2. Optical Study of DNA Surface Hybridization Reveals DNA Surface Density as a Key Parameter for Microarray Hybridization Kinetics

    PubMed Central

    Michel, Wolfgang; Mai, Timo; Naiser, Thomas; Ott, Albrecht

    2007-01-01

    We investigate the kinetics of DNA hybridization reactions on glass substrates, where one 22 mer strand (bound-DNA) is immobilized via phenylene-diisothiocyanate linker molecule on the substrate, the dye-labeled (Cy3) complementary strand (free-DNA) is in solution in a reaction chamber. We use total internal reflection fluorescence for surface detection of hybridization. As a new feature we perform a simultaneous real-time measurement of the change of free-DNA concentration in bulk parallel to the total internal reflection fluorescence measurement. We observe that the free-DNA concentration decreases considerably during hybridization. We show how the standard Langmuir kinetics needs to be extended to take into account the change in bulk concentration and explain our experimental results. Connecting both measurements we can estimate the surface density of accessible, immobilized bound-DNA. We discuss the implications with respect to DNA microarray detection. PMID:17085502

  3. Effect of the Scan Rate on the Kinetic Parameters of Active Dissolution and Passivation of Iron in a Neutral Solution

    Microsoft Academic Search

    M. E. Garmanov; Yu. I. Kuznetsov

    2004-01-01

    The effect of the potential scan rate (V = 0.2–100 mV\\/s) of a rotating disk electrode (rotational speed ? = 6000 rpm) on the kinetics of active anodic dissolution and active-passive transition of Armco iron in a deaerated borate buffer (pH 7.40) was studied by cyclic voltammetry. The rates of active dissolution and the formation of a prepassive film were

  4. Study of the decomposition of phase stabilized ammonium nitrate (PSAN) by simultaneous thermal analysis: determination of kinetic parameters

    Microsoft Academic Search

    P. N. Simões; L. M. Pedroso; A. A. Portugal; J. L. Campos

    1998-01-01

    Ammonium nitrate (AN) has been extensively used both in explosive and propellant formulations. Unlike AN, there is a lack of information about the thermal decomposition and related kinetic analysis of phase stabilized ammonium nitrate (PSAN). Simultaneous thermal analysis (DSC-TG) has been used in the thermal characterisation of a specific type of PSAN containing 1.0% of NiO (stabilizing agent) and 0.5%

  5. Reaction pathways and kinetic parameters of sonolytically induced oxidation of dimethyl methylphosphonate in air saturated aqueous solutions

    Microsoft Academic Search

    Kevin E. O’Shea; Ailette Aguila; K. Vinodgopal; Prashant V. Kamat

    1998-01-01

    The oxidation of dimethyl methylphosphonate (DMMP) was examined under ultrasonic conditions (640 kHz) in oxygen saturated\\u000a aqueous solutions. Acetic acid, formic acid, methylphosphonic acid, phosphate, and oxalic acid have been identified as the\\u000a major products produced during the sonolytic irradiation of DMMP. The initial rates of oxidation were determined as a function\\u000a of initial DMMP concentration. The kinetic behavior of

  6. An automated image-based method of 3D subject-specific body segment parameter estimation for kinetic analyses of rapid movements.

    PubMed

    Sheets, Alison L; Corazza, Stefano; Andriacchi, Thomas P

    2010-01-01

    Accurate subject-specific body segment parameters (BSPs) are necessary to perform kinetic analyses of human movements with large accelerations, or no external contact forces or moments. A new automated topographical image-based method of estimating segment mass, center of mass (CM) position, and moments of inertia is presented. Body geometry and volume were measured using a laser scanner, then an automated pose and shape registration algorithm segmented the scanned body surface, and identified joint center (JC) positions. Assuming the constant segment densities of Dempster, thigh and shank masses, CM locations, and moments of inertia were estimated for four male subjects with body mass indexes (BMIs) of 19.7-38.2. The subject-specific BSP were compared with those determined using Dempster and Clauser regression equations. The influence of BSP and BMI differences on knee and hip net forces and moments during a running swing phase were quantified for the subjects with the smallest and largest BMIs. Subject-specific BSP for 15 body segments were quickly calculated using the image-based method, and total subject masses were overestimated by 1.7-2.9%.When compared with the Dempster and Clauser methods, image-based and regression estimated thigh BSP varied more than the shank parameters. Thigh masses and hip JC to thigh CM distances were consistently larger, and each transverse moment of inertia was smaller using the image-based method. Because the shank had larger linear and angular accelerations than the thigh during the running swing phase, shank BSP differences had a larger effect on calculated intersegmental forces and moments at the knee joint than thigh BSP differences did at the hip. It was the net knee kinetic differences caused by the shank BSP differences that were the largest contributors to the hip variations. Finally, BSP differences produced larger kinetic differences for the subject with larger segment masses, suggesting that parameter accuracy is more important for studies focused on overweight populations. The new image-based BSP estimation method described in this paper addressed the limitations of currently used geometric and regression methods by using exact limb geometry to determine subject-specific parameters. BSP differences have the largest effect on kinetic analyses of motions with large limb accelerations, for joints farther along the kinematic chain from the known forces and moments, and for subjects with larger limb masses or BMIs. PMID:20524742

  7. Kinetics of lipogenic genes expression in milk purified mammary epithelial cells (MEC) across lactation and their correlation with milk and fat yield in buffalo.

    PubMed

    Yadav, Poonam; Kumar, Parveen; Mukesh, Manishi; Kataria, R S; Yadav, Anita; Mohanty, A K; Mishra, B P

    2015-04-01

    Expression patterns of lipogenic genes (LPL, ABCG2, ACSS2, ACACA, SCD, BDH, LIPIN1, SREBF1, PPAR? and PPAR?) were studied in milk purified MEC across different stages of lactation (15, 30, 45, 60, 90, 120 and 240 days relative to parturition) in buffalo. PPAR? was the most abundant gene while ABCG2 and ACSS2 had moderate level of expression; whereas expression of SREBF and PPAR? was very low. The expression patterns of some genes (BDH1, ACSS2, and LIPIN1) across lactation were positively correlated with milk yield while negatively correlated with fat yield. SCD also showed weak correlation with milk yield (p, 0.53) and fat yield (p, -0.47). On the other hand, expression pattern of ACACA was negatively correlated with milk yield (p, -0.88) and positively correlated with fat yield (p, 0.62). Strong correlation was observed between genes involved in de novo milk fat synthesis (BDH1, ACSS2, LIPIN2 and SCD) and milk yield. PMID:25660400

  8. 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

  9. The effect of marine algae in the ration of high-yielding dairy cows during transition on metabolic parameters in serum and follicular fluid around parturition.

    PubMed

    Hostens, M; Fievez, V; Vlaeminck, B; Buyse, J; Leroy, J; Piepers, S; De Vliegher, S; Opsomer, G

    2011-09-01

    Sixteen Holstein cows were assigned to 2 groups to evaluate the caloric and metabolic effect of feeding marine algae (ALG) from 3 wk prepartum until 12 wk postpartum. Milk production characteristics and the profiles of hormones and metabolites in the serum were monitored from -7 to 46 d in milk (DIM) and in follicular fluid (FF) from 14 to 46 DIM. All cows received a corn- and grass silage-based partially mixed ration supplemented with concentrate and protein supplement. In the diet of the ALG group, 2 kg of the concentrate was replaced by a concentrate containing ALG (44 g/d of docosahexaenoic acid). Diets were isocaloric (net energy basis) and equal in intestinal digestible protein. The ALG diet increased milk yield (41.2 vs. 38.2 kg/d) and decreased milk fat yield (1.181 vs. 1.493 kg/d) and milk fat content (31.6 vs. 40.7 g/kg). Protein yield (1.336 vs. 1.301 kg/d) was not affected but a tendency toward decreased milk protein content (32.8 vs. 34.7 g/kg) was observed. Marine algae supplementation increased the ?-hydroxybutyric acid (BHBA) concentration in FF of the ALG cows compared with that in the controls (0.992 vs. 0.718 mmol/L). The total protein concentration in FF was decreased in ALG (62.9 vs. 67.6 g/L). Plasma and serum metabolites did not significantly differ between treatments except for a tendency toward a lower concentration of urea in the serum of the control compared with ALG (4.69 vs. 5.13 mmol/L). Based on metabolizable energy calculations, a daily energy-sparing effect of 3.48 Mcal was obtained due to milk fat depression (MFD). The concomitant increase in milk yield suggests that at least part of this spared energy is used to stimulate milk production. Theoretically, 3.48 Mcal of ME could lead to an increase in milk yield of 7.43 kg/d, which is higher than the observed 3 kg/d. However, when evaluating nutrient requirements during MFD in early lactation, we calculated that increased milk production is caused by a propionate-saving effect of 2.71 mol in the udder when milk fat is depressed. Concurrent increased BHBA concentrations in FF in the ALG group cannot be attributed to a worsened energy status of the animals because all other indicators contradict any change in energy balance, indicating that BHBA might not be an appropriate metabolic parameter to estimate the energy balance in early lactating dairy cows during MFD. PMID:21854933

  10. 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. [Delft Univ. of Technology (Netherlands)

    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.

  11. Rationalization and prediction of in vivo metabolite exposures: The role of metabolite kinetics, clearance predictions and in vitro parameters

    PubMed Central

    Lutz, Justin D.; Fujioka, Yasushi; Isoherranen, Nina

    2010-01-01

    Importance of the field Due to growing concerns over toxic or active metabolites, significant efforts have been focused on qualitative identification of potential in vivo metabolites from in vitro data. However, limited tools are available to quantitatively predict their human exposures. Areas covered in this review Theory of clearance predictions and metabolite kinetics is reviewed together with supporting experimental data. In vitro and in vivo data of known circulating metabolites and their parent drugs was collected and the predictions of in vivo exposures of the metabolites were evaluated. What the reader will gain The theory and data reviewed will be useful in early identification of human metabolites that will circulate at significant levels in vivo and help in designing in vivo studies that focus on characterization of metabolites. It will also assist in rationalization of metabolite-to-parent ratios used as markers of specific enzyme activity. Take home message The relative importance of a metabolite in comparison to the parent compound as well as other metabolites in vivo can only be predicted using the metabolites in vitro formation and elimination clearances, and the in vivo disposition of a metabolite can only be rationalized when the elimination pathways of that metabolite are known. PMID:20557268

  12. Kinetic parameters and monomeric conversion of different dental composites using standard and soft-start photoactivation modes

    NASA Astrophysics Data System (ADS)

    Denis, A. B.; Viana, R. B.; Plepis, A. M. G.

    2012-06-01

    This paper evaluates the photopolymerization kinetics and degree of conversion of different commercial dental composites when photoactivated by a LED curing unit using two different modes (standard and soft-start mode). The investigation was performed on with RelyX ARC (dual-cured), Filtek Z-350 (Nanocomposite), Filtek Z-250 (Hybrid), and Filtek Z-350flow (Flowable) resin composites. The analysis used was attenuated total reflection with a Fourier transform infrared (ATR-FTIR). The RelyX ARC resin demonstrated the highest degree of conversion with both LED photoactivation modes. For this resin a 28% decrease in maximum rate was observed and the time to reach its highest rate was almost 2.3 times higher than when the soft-start photoactivation light curing was used. Z-350flow resin recorder a higher maximum rate using the soft-start mode rather than the standard mode. In contrast, the Z-250 showed a higher value using the standard mode. Although Z-250 and Z-350 showed a higher total degree of conversion effectiveness using the soft-start mode, RelyX and Z-350flow achieved a higher value using the standard mode.

  13. Photooxidative degradation of Malachite Green (MG) by UV\\/H 2O 2: Influence of operational parameters and kinetic modeling

    Microsoft Academic Search

    N. Modirshahla; M. A. Behnajady

    2006-01-01

    The decolorization of Malachite Oxalate Green (MG), a dye containing three groups of aryls was investigated using UV radiation in the presence of H2O2 in a batch photoreactor at different light intensities. H2O2 and UV-light showed negligible effect when they were used independently. Removal efficiency of MG was sensitive to the operational parameters such as initial concentrations of H2O2, MG

  14. Self-emulsifying pellets: relations between kinetic parameters of drug release and emulsion reconstitution-influence of formulation variables.

    PubMed

    Nikolakakis, Ioannis; Malamataris, Stavros

    2014-05-01

    The effects of surfactant type and content on the kinetics of emulsion reconstitution and release of drugs differing in lipophilicity from self-emulsifying microcrystalline cellulose pellets were studied. Furosemide and propranolol were the drugs, medium-chain triglyceride was the oil, and Cremophors ELP, RH40, and RH60 were the surfactants. Pellets were prepared by extrusion/spheronization with emulsions (75% water and 25%, w/w, oil/surfactant/drug). Stability of the emulsions was evaluated from changes in the back-scattered light, and re-emulsification and drug release from light transmittance and UV spectroscopy, respectively. Emulsion stability increased because of the incorporation of the drugs. Re-emulsification depended only on the surfactant content and was expressed by a simple power equation (Ra2 > 0.945, Q(2) > 0.752). Drug release was expressed by two biexponential equations (Ra2 > 0.989, Q(2) > 0.699 and Ra2 > 0.947, Q(2) > 0.693) implying initial burst and terminal slow release phase and by the linear form (Lineweaver-Burke) of Michaelis-Menten equation (Ra2 > 0.726, Q(2) > 0.397). Relationships exist between the rate constants of the equations describing emulsion reconstitution and drug release, for propranolol compositions (R(2) = 0.915), and for compositions of both drugs with less hydrophilic ELP and RH40 (R(2) = 0.511), and also, among dissolution efficiency, drug solubility in oil/surfactant, and emulsion reconstitution ability, indicating the importance of drug solubilization in oil/surfactant and re-emulsification ability on drug release. PMID:24596121

  15. 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

  16. 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

    2015-06-28

    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

  17. Analysis of the kinetics and yields of OH radical production from the CH3OCH2 + O2 reaction in the temperature range 195-650 K: an experimental and computational study.

    PubMed

    Eskola, A J; Carr, S A; Shannon, R J; Wang, B; Blitz, M A; Pilling, M J; Seakins, P W; Robertson, S H

    2014-08-28

    The methoxymethyl radical, CH3OCH2, is an important intermediate in the low temperature combustion of dimethyl ether. The kinetics and yields of OH from the reaction of the methoxymethyl radical with O2 have been measured over the temperature and pressure ranges of 195-650 K and 5-500 Torr by detecting the hydroxyl radical using laser-induced fluorescence following the excimer laser photolysis (248 nm) of CH3OCH2Br. The reaction proceeds via the formation of an energized CH3OCH2O2 adduct, which either dissociates to OH + 2 H2CO or is collisionally stabilized by the buffer gas. At temperatures above 550 K, a secondary source of OH was observed consistent with thermal decomposition of stabilized CH3OCH2O2 radicals. In order to quantify OH production from the CH3OCH2 + O2 reaction, extensive relative and absolute OH yield measurements were performed over the same (T, P) conditions as the kinetic experiments. The reaction was studied at sufficiently low radical concentrations (?10(11) cm(-3)) that secondary (radical + radical) reactions were unimportant and the rate coefficients could be extracted from simple bi- or triexponential analysis. Ab initio (CBS-GB3)/master equation calculations (using the program MESMER) of the CH3OCH2 + O2 system were also performed to better understand this combustion-related reaction as well as be able to extrapolate experimental results to higher temperatures and pressures. To obtain agreement with experimental results (both kinetics and yield data), energies of the key transition states were substantially reduced (by 20-40 kJ mol(-1)) from their ab initio values and the effect of hindered rotations in the CH3OCH2 and CH3OCH2OO intermediates were taken into account. The optimized master equation model was used to generate a set of pressure and temperature dependent rate coefficients for the component nine phenomenological reactions that describe the CH3OCH2 + O2 system, including four well-skipping reactions. The rate coefficients were fitted to Chebyshev polynomials over the temperature and density ranges 200 to 1000 K and 1 × 10(17) to 1 × 10(23) molecules cm(-3) respectively for both N2 and He bath gases. Comparisons with an existing autoignition mechanism show that the well-skipping reactions are important at a pressure of 1 bar but are not significant at 10 bar. The main differences derive from the calculated rate coefficient for the CH3OCH2OO ? CH2OCH2OOH reaction, which leads to a faster rate of formation of O2CH2OCH2OOH. PMID:25069059

  18. Inhibition and activation of enzymes. The effect of a modifier on the reaction rate and on kinetic parameters.

    PubMed

    Fontes, R; Ribeiro, J M; Sillero, A

    2000-01-01

    A combined analysis of enzyme inhibition and activation is presented, based on a rapid equilibrium model assumption in which one molecule of enzyme binds one molecule of substrate (S) and/or one molecule of a modifier X. The modifier acts as activator (essential or non-essential), as inhibitor (total or partial), or has no effect on the reaction rate (v), depending on the values of the equilibrium constants, the rate constants of the limiting velocity steps, and the concentration of substrate ([S]). Different possibilities have been analyzed from an equation written to emphasize that v = f([X]) is, in general and at a fixed [S], a hyperbolic function. Formulas for Su (the value of [S], different from zero, at which v is unaffected by the modifier) and v(su) (v at that particular [S]) were deduced. In Lineweaver-Burk plots, the straight lines related to different [X] generally cross in a point (P) with coordinates (Su, v(su)). In certain cases, point P is located in the first quadrant which implies that X acts as activator, as inhibitor, or has no effect, depending on [S]. Furthermore, we discuss: (1) the apparent Vmax and Km displayed by the enzyme in different situations; (2) the degree of effect (inhibition or activation) observed at different concentrations of substrate and modifier; (3) the concept of Ke, a parameter that depends on the concentration of substrate and helps to evaluate the effect of the modifier: it equals the value of [X] at which the increase or decrease in the reaction rate is half of that achieved at saturating [X]. Equations were deduced for the general case and for particular situations, and used to obtain computer-drawn graphs that are presented and discussed. Formulas for apparent Vmax, Km and Ke have been written in a way making it evident that these parameters can be expressed as pondered means. PMID:10961698

  19. Prospects for Simultaneous Improvement of Corn Grain Yield and Stover Quality for Cellulosic Ethanol: Quantitative Genetic Parameters, Genetic Value Predictions, and QTL

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Corn (Zea mays L.) has been bred for increased grain yield but not for stover quality for cellulosic ethanol production. Our objectives were to: (1) identify potential barriers, at the quantitative trait and molecular marker level, for simultaneous improvement of grain yield and stover quality; (2) ...

  20. Time-dependent Dalitz plot measurement of CP parameters in B{sup 0}{yields}K{sub S}{sup 0}{pi}{sup +}{pi}{sup -} decays

    SciTech Connect

    Dalseno, J.; Adachi, I.; Hazumi, M.; Itoh, R.; Iwasaki, Y.; Katayama, N.; Krokovny, P.; Nakao, M.; Nishida, S.; Ozaki, H.; Sakai, Y.; Sumisawa, K.; Tanaka, M.; Trabelsi, K.; Uehara, S.; Uno, S. [High Energy Accelerator Research Organization (KEK), Tsukuba (Japan); Aihara, H.; Iwasaki, M.; Nakahama, Y. [Department of Physics, University of Tokyo, Tokyo (Japan); Arinstein, K. [Budker Institute of Nuclear Physics, Novosibirsk (Russian Federation)] (and others)

    2009-04-01

    We present a time-dependent Dalitz plot measurement of CP violation parameters in B{sup 0}{yields}K{sub S}{sup 0}{pi}{sup +}{pi}{sup -} decays. These results are obtained from a large data sample that contains 657x10{sup 6} BB pairs collected at the {upsilon}(4S) resonance with the Belle detector at the KEKB asymmetric-energy e{sup +}e{sup -} collider. For the CP violation parameters, we obtain two consistent solutions that describe the data well. The first of these solutions may be preferred by external information from other measurements. There is no evidence for direct CP violation in B{sup 0}{yields}{rho}{sup 0}(770)K{sub S}{sup 0}, B{sup 0}{yields}f{sub 0}(980)K{sub S}{sup 0} and B{sup 0}{yields}K*{sup +}(892){pi}{sup -}, while measurements of mixing-induced CP violation in B{sup 0}{yields}{rho}{sup 0}(770)K{sub S}{sup 0} and B{sup 0}{yields}f{sub 0}(980)K{sub S}{sup 0} decays are consistent with that of b{yields}ccs decays. We also measured the phase difference between B{sup 0}{yields}K*{sup +}(892){pi}{sup -} and B{sup 0}{yields}K{sup -}(892){pi}{sup +}, which may be used to extract {phi}{sub 3}.

  1. Studies on some kinetic parameters of aldolases in selected tissues of the freshwater fish (Tilapia mossambica) under the toxic impact of methyl parathion.

    PubMed

    Kodavanti, P R; Ramana Rao, K V

    1989-12-01

    Kinetic parameters of aldolases in muscle, gill, liver and brain tissues of the teleost Tilapia mossambica were studied at sublethal concentrations with methyl parathion (MP). The pH activity profiles were optimal at pH 7.0 and 9.0 in gill, liver and brain tissues, whereas only a single peak at pH 7.0 was observed in muscle tissue of both control and MP-exposed fish. The pH 7.0-specific peak was confirmed as aldolase A and the pH 9.0-specific peak represents the tissue-specific aldolases: aldolase B in liver, aldolase C in brain and aldolase B-C in gill. It is further confirmed with the inhibitor sensitivity of aldolases at two peaks with 6 x 10(-3) M ATP or AMP. The pH-based substrate-dependent kinetics of aldolases showed a variable trend. The tissue-specific activity of pH 7.0-specific aldolases showed low Km values for gill followed by muscle, liver and brain tissues, suggestive of its high enzyme-substrate affinity. During MP exposure, the Vmax values of pH 7.0-specific aldolases in muscle, gill and brain were unchanged compared to controls, but Km values were decreased. The pH 9.0-specific aldolases of gill and liver from MP-exposed fish showed decreased Km values with a slight increase in Vmax values. Effectors such as lysine, arginine and Ca2+ inhibited, while histidine, cysteine, aspartic acid and alpha-ketoglutaric acid elevated the activity levels of aldolases.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:2614001

  2. The influence of the luteal and follicular phases on major pharmacokinetic parameters of blood and breath alcohol kinetics in women.

    PubMed

    Dettling, Andrea; Preiss, Astrid; Skopp, Gisela; Haffner, Hans-Thomas

    2010-06-01

    Drink tests involving 14 women were carried out to determine the effects of the menstrual cycle phases on the pharmacokinetics of ethanol. One experiment was carried out in the follicular phase of the cycle and another in the luteal phase, with the estradiol, progesterone, and testosterone levels being determined in both cases. The target concentration was a final blood alcohol concentration (BAC) of approximately 0.08g%. After drinking was completed, concurrent BAC and breath alcohol concentration (BrAC) measurements were carried out at intervals of 10-20min. The ethanol elimination rate was determined by calculating a linear function in the part of the slope that was clearly linear. In addition, the c(0) and Widmark factors r were calculated. In 10 of the volunteers, who had a normal increase in progesterone in the luteal phase, the average hourly elimination rate ss(60) in the follicular phase amounted to 0.0194+/-0.0020g%/h (BAC) and 0.0975+/-0.0068mg/L/h (BrAC), and in the luteal phase to 0.0193+/-0.0031g%/h (BAC) and 0.1026+/-0.0101mg/L/h (BrAC). There was no significant difference. Other pharmacokinetic parameters (c(0) concentrations, Widmark factors r, distribution volumes, maximal BAC, mean absorption rate, time until the peak concentrations were reached) also revealed no significant differences between the blood and breath alcohol levels of the luteal and follicular phases. In addition, no significant correlations were observed between the absolute progesterone level and the respective elimination rates ss(60). PMID:20570083

  3. 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.

  4. Studies on the adaptation of intact leaves to changing light intensities by a kinetic analysis of chlorophyll fluorescence and oxygen evolution as measured by the photoacoustic signal

    Microsoft Academic Search

    Holger Dau; Ulf-Peter Hansen

    1989-01-01

    A detailed quantitative study of the kinetics of photochemical and non-photochemical quenching was achieved by a linear analysis of the yields of chlorophyll fluorescence and of oxygen evolution (as measured by the photoacoustic effect) by their responses to sinusoidal changes of actinic light. The results of this analysis were given in terms of the parameters of the kinetic phases obtained

  5. EFFECTS OF SINGLE, DUAL AND TRIPLE INOCULATIONS WITH BACILLUS SUBTILIS, BACILLUS MEGATERIUM AND RHIZOBIUM LEGUMINOSARUM BV. PHASEOLI ON NODULATION, NUTRIENT UPTAKE, YIELD AND YIELD PARAMETERS OF COMMON BEAN (PHASEOLUS VULGARIS L. CV. ‘ELKOCA-05’)

    Microsoft Academic Search

    Erdal Elkoca; Metin Turan; M. Figen Donmez

    2010-01-01

    This study was conducted in order to investigate the effects of single, dual, and triple inoculations with Rhizobium, N2-fixing Bacillus subtilis (OSU-142), and P-solubilizing Bacillus megaterium (M-3) on nodulation, plant growth, nutrient uptake and seed yield of common bean (Phaseolus vulgaris L. cv. ‘Elkoca-05’) in comparison to control and mineral fertilizer application under field conditions in 2006 and 2007 in

  6. Kinetics and activation parameters of the reaction of cyanide with free aquocobalamin and aquocobalamin bound to a haptocorrin from chicken serum.

    PubMed

    Marques, H M; Brown, K L; Jacobsen, D W

    1988-09-01

    The kinetics of the reaction of cyanide with free aquocobalamin (H2OCbl) and with aquocobalamin bound to a vitamin B12-binding protein (haptocorrin) from chicken serum (HC-H2OCbl) have been investigated as a function of temperature and pH. The mechanism of replacement of H2O from protein-bound and free H2OCbl is apparently the same and involves attack of both CN- (k1) and HCN (k2). The reactions with HC-H2OCbl are somewhat slower than those with free H2OCbl, k1 being 22-fold smaller and k2 7-fold smaller at 25 degrees C. The relatively small effect of the protein on the rate constants supports the view that the metal in HC-H2OCbl is readily accessible to solvent. Activation parameters suggest that the transition states for ligand substitution are stabilized by nucleophilic participation (at least by CN-) and that ligand substitution on the protein-bound cobalamin proceeds through more ordered, concerted transition states. The latter effect suggests that the Co-O bond of H2OCbl is strengthened upon binding to the haptocorrin. PMID:2842331

  7. A new method for the fast determination of kinetic parameters in anaerobic digestion processes and application to textile wet processing wastewater.

    PubMed

    Feitkenhauer, H; Meyer, U

    2003-01-01

    A new method for the fast and efficient determination of the anaerobic degradability and for the calculation of kinetic parameters is proposed. It is based on the idea that monitoring of the acidification step in the anaerobic degradation cascade is sufficient, as the subsequent steps (acetogenesis, methanogenesis) are well known processes dependent on the intermediate concentrations and not on the original substrate used. The investigation of the acidification is subdivided into two steps. In the first step, biomass is adapted to the new substrate in a continuously operated bioreactor. The second step, the only step monitored, is the acidification of the substrate (or wastewater) in a batch experiment. Three different methods to monitor the acidification were tested: gas chromatography (offline), on-line titration and monitoring of the base consumption (direct titration). The results of these methods were compared to "traditional" batch tests. It is shown that the simplest method (direct titration) revealed the most important information. The investigated substrates were selected pollutants of textile wet processing wastewater. PMID:14682588

  8. Biohydrogen production based on the evaluation of kinetic parameters of a mixed microbial culture using glucose and fruit-vegetable waste as feedstocks.

    PubMed

    Garcia-Peña, E I; Canul-Chan, M; Chairez, I; Salgado-Manjarez, E; Aranda-Barradas, J

    2013-09-01

    Hydrogen (H2) production from the organic fraction of solid waste such as fruit and vegetable waste (FVW) is a novel and feasible energy technology. Continuous application of this process would allow for the simultaneous treatment of organic residues and energy production. In this study, batch experiments were conducted using glucose as substrate, and data of H2 production obtained were successfully adjusted by a logistic model. The kinetic parameters (? max?=?0.101 h(-1), K s?=?2.56 g/L) of an H2-producing microbial culture determined by the Monod and Haldane-Andrews growth models were used to establish the continuous culture conditions. This strategy led to a productive steady state in continuous culture. Once the steady state was reached in the continuous reactor, a maximum H2 production of 700 mL was attained. The feasibility of producing H2 from the FVW obtained from a local market in Mexico City was also evaluated using batch conditions. The effect of the initial FVW concentration on the H2 production and waste organic material degradation was determined. The highest H2 production rate (1.7 mmol/day), the highest cumulative H2 volume (310 mL), and 25 % chemical oxygen demand (COD) removal were obtained with an initial substrate (FVW) concentration of 37 g COD/L. The lowest H2 production rates were obtained with relatively low initial substrate concentrations of 5 and 11 g COD/L. The H2 production rates with FVW were also characterized by the logistic model. Similar cumulative H2 production was obtained when glucose and FVW were used as substrates. PMID:23832860

  9. Biosorption of Cr(VI) by Ceratocystis paradoxa MSR2 using isotherm modelling, kinetic study and optimization of batch parameters using response surface methodology.

    PubMed

    Samuel, Melvin S; E A Abigail, M; 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 2 g 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

  10. 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

  11. Measuring Epoxy-Curing Kinetics

    NASA Technical Reports Server (NTRS)

    Cizmecioglu, M.

    1983-01-01

    Key reaction parameters estimated from single run. Single DSC Curve used to construct linearized plot from which kinetic reaction parameters are obtained: vertical axis intercept proportional to activation energy, while slope equals reaction order. DSC methods show promise for rapid screening and estimation of cure kinetic parameters of epoxy resins.

  12. Inversion for source parameters of underground nuclear explosions with implications for yield estimation. Technical report, 5 September 1985-5 March 1986

    SciTech Connect

    Barker, J.S.; Burger, R.W.; Burdick, L.J.; Lay

    1986-03-15

    The first part of this report presents a method for simultaneous inversion of near-field explosion wave forms for parameters of the source and structure. The inversion automatically provides information on the trade-offs between parameters and error analyses of the resultant models. The source may be parameterized by any of several effective source functions. The structure is parameterized as a layered stack of gradients defined by the velocity at the top of the layer, the velocity gradient within the layer, and the depth to the top of the layer. The gradient model is then discretized into homogeneous plane layers, with the layer thickness defined as the wavelength of the predominant period in the data, and synthetics are computed using asymptotic generalized ray theory. For each observed wave form, the residuals consist of the normalized cross-correlation coefficient between the data and synthetics, the difference in normalization factors, and the time lag to the peak of cross-correlation. The second part of the report addresses the implications of choosing a particular representation of the RDP on the determination of teleseismic attenuation. This time-domain analysis is based on a near-field to far-field amplitude comparison. The near-field amplitude information is contained in the parameters of the explosion-source model, assuming amplitude information is contained in the parameters of the explosion-source model and assuming either the Mueller-Murphy or Helmberger-Hadley representations.

  13. 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 ...

  14. 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

  15. 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...

  16. The effects of restraint using self-locking stanchions on dairy cows in relation to behavior, feed intake, physiological parameters, health, and milk yield.

    PubMed

    Bolinger, D J; Albright, J L; Morrow-Tesch, J; Kenyon, S J; Cunningham, M D

    1997-10-01

    Holstein cows (n = 64) ranging from peak to end lactation were restrained in self-locking stanchions (i.e., head locks) for approximately 4 h/d for four periods in a modified switchback design. Milk yield, milk fat percentage, somatic cell count, and dry matter intake and dry matter intake were unaffected by restraint. Milk protein percentage was significantly lower for cows that were restrained. Plasma cortisol concentrations and the ratio of neutrophils to mononuclear cells were not significantly different between restrained and unrestrained (control) cows. No difference in the incidence of mastitis or other health concerns was noted. Behaviorally, cows that were locked in the stanchions spent significantly more time lying after release from restraint. For cows that were locked up, eating frequency over 24 h was significantly reduced, but dry matter intake was not affected. Total rumination frequency over 24 h was not significantly different for cows that were restraubed; however, cows that were restrained ruminated less during the day following release. Grooming was considered to be a behavioral need and was significantly increased during all times when cows were not locked up. Grooming was also one of the first behaviors performed following release. Acts of aggression were elevated during all periods following restraint, but oral behaviors, such as tongue playing and chewing on objects, drinking behavior, and resting postures were not affected. The use of self-locking stanchions did not appear to affect substantially the overall well-being of the cow. PMID:9361214

  17. The effect of a liquid CTBN rubber modifier on the thermo-kinetic parameters of an epoxy resin during a pultrusion process

    Microsoft Academic Search

    L. Calabrese; A. Valenza

    2003-01-01

    Rheo-kinetic behaviour of an epoxy resin, coupled with an anhydride hardener, with different CTBN liquid rubber concentration (0–15 phr), used in fibre reinforced plastics, was analysed comparing experimental data with theoretical models. The modelling of technological pultrusion process for thermoset matrix composites, developed through a numerical code realised with MATLAB, is reported, too. The model includes conduction and cure heat,

  18. 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.

  19. Determination of Equilibrium and Kinetic Parameters of the Adsorption of Cr(III) and Cr(VI) from Aqueous Solutions to Agave Lechuguilla Biomass

    PubMed Central

    Romero-González, Jaime; Peralta-Videa, José R.; Rodríguez, Elena

    2005-01-01

    This investigation reveals the capability of Agave lechuguilla for trivalent and hexavalent chromium removal from aqueous solutions. Experimentation included pH profile, time dependence, adsorption capacity (KF and QL), adsorption intensity (n and RL) and saturation capacity (q s) studies. Batch experiments were conducted at 22?C to characterize and model the adsorption equilibrium as well as biomass adsorption rates. pH 4 was the optimum for Cr(III) binding, while Cr(VI) optimum binding was at pH 2. Time profile experiments indicated that the adsorption of Cr(VI) by lechuguilla biomass was time-dependent and that of Cr(III) was not. Kinetic models demonstrated that a pseudo-second order reaction model best described the kinetic data for Cr(VI). The adsorption isotherms showed that the binding pattern for Cr(VI) followed the Freundlich isotherm model, while that for Cr(III) followed the Langmuir isotherm. PMID:18365089

  20. Genetic parameters of cheese yield and curd nutrient recovery or whey loss traits predicted using Fourier-transform infrared spectroscopy of samples collected during milk recording on Holstein, Brown Swiss, and Simmental dairy cows.

    PubMed

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

    2015-07-01

    Cheese yield is the most important technological parameter in the dairy industry in many countries. The aim of this study was to infer (co)variance components for cheese yields (CY) and nutrient recoveries in curd (REC) predicted using Fourier-transform infrared (FTIR) spectroscopy of samples collected during milk recording on Holstein, Brown Swiss, and Simmental dairy cows. A total of 311,354 FTIR spectra representing the test-day records of 29,208 dairy cows (Holstein, Brown Swiss, and Simmental) from 654 herds, collected over a 3-yr period, were available for the study. The traits of interest for each cow consisted of 3 cheese yield traits (%CY: fresh curd, curd total solids, and curd water as a percent of the weight of the processed milk), 4 curd nutrient recovery traits (REC: fat, protein, total solids, and the energy of the curd as a percent of the same nutrient in the processed milk), and 3 daily cheese production traits (daily fresh curd, total solids, and the water of the curd per cow). Calibration equations (freely available upon request to the corresponding author) were used to predict individual test-day observations for these traits. The (co)variance components were estimated for the CY, REC, milk production, and milk composition traits via a set of 4-trait analyses within each breed. All analyses were performed using REML and linear animal models. The heritabilities of the %CY were always higher for Holstein and Brown Swiss cows (0.22 to 0.33) compared with Simmental cows (0.14 to 0.18). In general, the fresh cheese yield (%CYCURD) showed genetic variation and heritability estimates that were slightly higher than those of its components, %CYSOLIDS and %CYWATER. The parameter RECPROTEIN was the most heritable trait in all the 3 breeds, with values ranging from 0.32 to 0.41. Our estimation of the genetic relationships of the CY and REC with milk production and composition revealed that the current selection strategies used in dairy cattle are expected to exert only limited effects on the REC traits. Instead, breeders may be able to exploit genetic variations in the %CY, particularly RECFAT and RECPROTEIN. This last component is not explained by the milk protein content, suggesting that its direct selection could be beneficial for cheese production aptitude. Collectively, our findings indicate that breeding strategies aimed at enhancing CY and REC could be easily and rapidly implemented for dairy cattle populations in which FTIR spectra are routinely acquired from individual milk samples. PMID:25958274

  1. Arrhenius Parameters for the Addition of Nucleophiles to the Silicon-Carbon Double Bond of

    E-print Network

    Leigh, William J.

    Arrhenius Parameters for the Addition of Nucleophiles to the Silicon-Carbon Double Bond of 1,11-17 Wiberg proposed a mechanism involving initial nucleophilic attack at silicon, to yield a -bonded complex allowed it to be refined considerably. In particular, kinetic data suggest that for water and aliphatic

  2. Nonphotochemical hole burning and dispersive kinetics in amorphous solids

    SciTech Connect

    Kenney, M.J.

    1990-09-21

    Results covering burn intensities in the nW to {mu}W/cm{sup 2} range, of dispersive hole growth kinetics are reported for Oxazine 720 in glycerol glasses and polyvinyl alcohol polymer films and their deuterated analogues. A theoretical model which employs a distribution function for the hole burning rate constant based upon a Gaussian distribution for the tunnel parameter is shown to accurately describe the kinetic data. This model incorporates the linear electron-phonon coupling. A method for calculating the nonphotochemical quantum yield is presented which utilizes the Gaussian distribution of tunnel parameters. The quantum yield calculation can be extended to determine a quantum yield as a function of hole depth. The effect of spontaneous hole filling is shown to be insignificant over the burn intensity range studied. Average relaxation rates for hole burning are {approximately}8 orders of magnitude greater than for hole filling. The dispersive kinetics of hole burning are observed to be independent over the temperature range of these experiments, 1.6 to 7.0 K. 6 refs., 20 figs., 1 tab.

  3. 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

  4. General solutions for the oxidation kinetics of polymers

    SciTech Connect

    Gillen, K.T.; Clough, R.L.; Wise, J.

    1996-08-01

    The simplest general kinetic schemes applicable to the oxidation of polymers are presented, discussed and analyzed in terms of the underlying kinetic assumptions. For the classic basic autoxidation scheme (BAS), which involves three bimolecular termination steps and is applicable mainly to unstabilized polymers, typical assumptions used singly or in groups include (1) long kinetic chain length, (2) a specific ratio of the termination rate constants and (3) insensitivity to the oxygen concentration (e.g., domination by a single termination step). Steady-state solutions for the rate of oxidation are given in terms of one, two, three, or four parameters, corresponding respectively to three, two, one, or zero kinetic assumptions. The recently derived four-parameter solution predicts conditions yielding unusual dependencies of the oxidation rate on oxygen concentration and on initiation rate, as well as conditions leading to some unusual diffusion-limited oxidation profile shapes. For stabilized polymers, unimolecular termination schemes are typically more appropriate than bimolecular. Kinetics incorporating unimolecular termination reactions are shown to result in very simple oxidation expressions which have been experimentally verified for both radiation-initiated oxidation of an EPDM and thermoxidative degradation of nitrile and chloroprene elastomers.

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

    PubMed Central

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

    2013-01-01

    This study explored the potential use of a sulfate radical (SO·?4)-based photochemical oxidation process to treat the commercial nonionic surfactant octylphenol polyethoxylate (OPPE) Triton™ X-45. For this purpose, the effect of initial S2O2?8 (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 S2O2?8 concentrations (?2.5 mM). S2O2?8/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 S2O2?8. On the other hand, TOC removal efficiencies dropped down to only 40% under the same reaction conditions. S2O2?8/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 S2O2?8/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 SO·?4 and HO·, bimolecular reaction rate coefficients of OPPE with SO·?4 and HO· were determined by employing competition kinetics with aqueous phenol (47 ?M) selected as the reference compound. The pseudo-first-order abatement rate coefficient obtained for OPPE during S2O2?8/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 pseudo-first-order abatement rate coefficients were obtained for both OPPE (0.087 min?1) and phenol (0.140 min?1). From the kinetic study, second-order reaction rate coefficients for OPPE with SO·?4 and HO· were determined as 9.8 × 108 M?1 s?1 and 4.1 × 109 M?1 s?1, respectively. The kinetic study also revealed that the selectivity of SO·?4 was found to be significantly higher than that of HO·. PMID:24790933

  6. Electrophysiological approach to determine kinetic parameters of sucrose uptake by single sieve elements or phloem parenchyma cells in intact Vicia faba plants

    PubMed Central

    Hafke, Jens B.; Höll, Sabina-Roxana; Kühn, Christina; van Bel, Aart J. E.

    2013-01-01

    Apart from cut aphid stylets in combination with electrophysiology, no attempts have been made thus far to measure in vivo sucrose-uptake properties of sieve elements. We investigated the kinetics of sucrose uptake by single sieve elements and phloem parenchyma cells in Vicia faba plants. To this end, microelectrodes were inserted into free-lying phloem cells in the main vein of the youngest fully-expanded leaf, half-way along the stem, in the transition zone between the autotrophic and heterotrophic part of the stem, and in the root axis. A top-to-bottom membrane potential gradient of sieve elements was observed along the stem (?130 mV to ?110 mV), while the membrane potential of the phloem parenchyma cells was stable (approx. ?100 mV). In roots, the membrane potential of sieve elements dropped abruptly to ?55 mV. Bathing solutions having various sucrose concentrations were administered and sucrose/H+-induced depolarizations were recorded. Data analysis by non-linear least-square data fittings as well as by linear Eadie–Hofstee (EH) -transformations pointed at biphasic Michaelis–Menten kinetics (2 MM, EH: Km1 1.2–1.8 mM, Km2 6.6–9.0 mM) of sucrose uptake by sieve elements. However, Akaike's Information Criterion (AIC) favored single MM kinetics. Using single MM as the best-fitting model, Km values for sucrose uptake by sieve elements decreased along the plant axis from 1 to 7 mM. For phloem parenchyma cells, higher Km values (EH: Km1 10 mM, Km2 70 mM) as compared to sieve elements were found. In preliminary patch-clamp experiments with sieve-element protoplasts, small sucrose-coupled proton currents (?0.1 to ?0.3 pA/pF) were detected in the whole-cell mode. In conclusion (a) Km values for sucrose uptake measured by electrophysiology are similar to those obtained with heterologous systems, (b) electrophysiology provides a useful tool for in situ determination of Km values, (c) As yet, it remains unclear if one or two uptake systems are involved in sucrose uptake by sieve elements, (d) Affinity for sucrose uptake by sieve elements exceeds by far that by phloem parenchyma cells, (e) Patch-clamp studies provide a feasible basis for quantification of sucrose uptake by single cells. The consequences of the findings for whole-plant carbohydrate partitioning are discussed. PMID:23914194

  7. Influence of polyols on the stability and kinetic parameters of invertase from Candida utilis: correlation with the conformational stability and activity.

    PubMed

    Gangadhara; Ramesh Kumar, Parigi; Prakash, Vishweshwaraiah

    2008-12-01

    Invertase (beta-D -fructofuranoside fructohydrolase-E.C. 3.2.1.26) is a sucrose hydrolyzing enzyme found in microbial, plant and animal sources. Invertase from Candida utilis is a dimeric glycoprotein composed of two identical monomer subunits with an apparent molecular mass of 150 kDa. We investigated the mechanism of stabilization of invertase with polyols (glycerol, xylitol, and sorbitol). Activity, thermodynamic and kinetic measurements of invertase were performed as a function of polyol concentration and showed that polyols act as very effective stabilizing agents. The result from the solvent-invertase interaction shows preferential exclusion of the polyols from the protein domain leading to preferential hydration of protein. Apparent thermal denaturation temperature of the protein (T ( m )) rose from 75 degrees C to a maximum of 85 degrees C in 30% glycerol. The stabilization has been attributed to the preferential hydration of the enzyme. PMID:19020964

  8. 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. [Uzhgorod National University (Ukraine); Kalyuzhnaya, A. G.; Shchedrin, A. I. [National Academy of Sciences of Ukraine, Institute of Physics (Ukraine)

    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%.

  9. Comparative kinetic analysis of raw and cleaned coals

    Microsoft Academic Search

    K. E. Ozbas; M. V. Kök; C. Hicyilmaz

    2002-01-01

    In this research, thermogravimetry (TG\\/DTG) was used to determine the kinetic analysis of different coals and effect of cleaning process on kinetic parameters of raw and cleaned coal samples from Soma, Tuncbilek and Afsin Elbistan regions. Kinetic parameters of the samples were determined using Arrhenius and Coats and Redfern kinetic models and the results are discussed.

  10. 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?.

  11. Effects of high density dispersion fuel loading on the kinetic parameters of a low enriched uranium fueled material test research reactor

    Microsoft Academic Search

    Farhan Muhammad; Asad Majid

    2008-01-01

    The effects of using high density low enriched uranium on the neutronic parameters of a material test research reactor were studied. For this purpose, the low density LEU fuel of an MTR was replaced with high density LEU fuels currently being developed under the RERTR program. Since the alloying elements have different cross-sections affecting the reactor in different ways, therefore

  12. Fluorescence kinetic parameters and cyclic electron transport in guard cell chloroplasts of chlorophyll-deficient leaf tissues from variegated weeping fig (Ficus benjamina L.).

    PubMed

    Lysenko, Vladimir

    2012-05-01

    Residual chlorophyll in chlorophyll-deficient (albino) areas of variegated leaves of Ficus benjamina originates from guard cell chloroplasts. Photosynthetic features of green and albino sectors of F. benjamina were studied by imaging the distribution of the fluorescence decrease ratio Rfd within a leaf calculated from maximum (Fm) and steady-state leaf chlorophyll fluorescence (Fs) at 690 and 740 nm. Local areas of albino sectors demonstrated an abnormally high Rfd(740)/Rfd(690) ratio. Fluorescence transients excited in albino sectors at red (640 and 690 nm) wavelengths showed an abrupt decrease of the Rfd values (0.4 and 0.1, correspondingly) as compared with those excited at blue wavelengths (1.7-2.4). This "Red Drop" was not observed for green sectors. Normal and chlorophyll-deficient leaf sectors of F. benjamina were also tested for linear and cyclic electron transport in thylakoids. The tests have been performed studying fluorescence at a steady-state phase with CO(2)-excess impulse feeding, photoacoustic signal generated by pulse light source at wavelengths selectively exciting PSI, fluorescence kinetics under anaerobiosis and fluorescence changes observed by dual-wavelength excitation method. The data obtained for albino sectors strongly suggest the possibility of a cyclic electron transport simultaneously occurring in guard cell thylakoids around photosystems I and II under blue light, whereas linear electron transport is absent or insufficient. PMID:22134781

  13. Characterization of the atrazine sorption process on Andisol and Ultisol volcanic ash-derived soils: kinetic parameters and the contribution of humic fractions.

    PubMed

    Báez, María E; Fuentes, Edwar; Espinoza, Jeannette

    2013-07-01

    Atrazine sorption was studied in six Andisol and Ultisol soils. Humic and fulvic acids and humin contributions were established. Sorption on soils was well described by the Freundlich model. Kf values ranged from 2.2-15.6 ?g(1-1/n)mL(1/n)g?¹. The relevance of humic acid and humin was deduced from isotherm and kinetics experiments. KOC values varied between 221 and 679 mLg?¹ for these fractions. Fulvic acid presented low binding capacity. Sorption was controlled by instantaneous equilibrium followed by a time-dependent phase. The Elovich equation, intraparticle diffusion model, and a two-site nonequilibrium model allowed us to conclude that (i) there are two rate-limited phases in Andisols related to intrasorbent diffusion in organic matter and retarded intraparticle diffusion in the organo-mineral complex and that (ii) there is one rate-limited phase in Ultisols attributed to the mineral composition. The lower organic matter content of Ultisols and the slower sorption rate and mechanisms involved must be considered to assess the leaching behavior of atrazine. PMID:23711282

  14. 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.

  15. 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...

  16. Effect of alloy composition on the thermodynamic and kinetic parameters of the A1 to L10 transformation in FePt, FeNiPt, and FeCuPt films

    NASA Astrophysics Data System (ADS)

    Berry, D. C.; Barmak, K.

    2007-07-01

    Differential scanning calorimetry is used to investigate the A1 to L10 ordering transformation in binary FePt films with compositions in the range of 39.3-55.3 at. % Pt and ternary FePt-based films with additions of Cu up to 20 at. % and Ni up to 25 at. % for a range of Fe/Pt ratios. For FePt and FeCuPt, these are extensions of previously studied ranges [K. Barmak, J. Kim, D. C. Berry, W. N. Hanani, K. Wierman, E. B. Svedberg, and J. K. Howard, J. Appl. Phys. 97, 024902 (2005); D. C. Berry, J. Kim, K. Barmak, K. Wierman, E. B. Svedberg, and J. K. Howard, Scr. Mater. 53, 423 (2005)]. Parameters including the A1 and L10 phase Curie temperatures, the kinetic ordering temperature, the activation energy, and the transformation enthalpy are reported. For FePt, the L10 Curie temperature reaches a maximum of 457 °C near 45 at. % Pt. In contrast, the A1 Curie temperature has an essentially constant value of 300 °C across the full composition. Both the kinetic ordering temperature and activation energy show a minimum near 46 at. % Pt, while the magnitude of the transformation enthalpy has its maximum near 50 at. % Pt. Ni additions to FePt in general lower the L10 Curie temperature, but they increase the A1 Curie temperature. The kinetic ordering temperature and the activation energy increase for all Ni additions, whereas the transformation enthalpy decreases measurably only for Ni additions over ˜10 at. %. Cu additions to FePt act as magnetic diluents regarding both the A1 and L10 phase Curie temperatures, with increased Cu content resulting in decreased Curie temperature. Conversely, Cu additions have no significant effect on the kinetic ordering temperature, activation energy, or transformation enthalpy when compared to equivalent binary alloys. The relevance of our findings to alloy development for ultrahigh density magnetic recording media is discussed, with specific focus on the potential for heat-assisted magnetic recording.

  17. Nodal analysis for reactor kinetics and stability

    Microsoft Academic Search

    1981-01-01

    General space kinetics models have been developed for more accurate stability analysis utilizing nodal analysis, a commonly used technique for analyzing power distributions in large power reactors. Kinetics parameters for use in these kinetics models have been properly derived by utilizing self-consistent nodal data and power distributions. The procedure employed in the nodal code SIMULATE has been utilized for power

  18. Compartmental analysis of (11C)flumazenil kinetics for the estimation of ligand transport rate and receptor distribution using positron emission tomography

    SciTech Connect

    Koeppe, R.A.; Holthoff, V.A.; Frey, K.A.; Kilbourn, M.R.; Kuhl, D.E. (University of Michigan, Ann Arbor (USA))

    1991-09-01

    The in vivo kinetic behavior of (11C)flumazenil ((11C)FMZ), a non-subtype-specific central benzodiazepine antagonist, is characterized using compartmental analysis with the aim of producing an optimized data acquisition protocol and tracer kinetic model configuration for the assessment of (11C)FMZ binding to benzodiazepine receptors (BZRs) in human brain. The approach presented is simple, requiring only a single radioligand injection. Dynamic positron emission tomography data were acquired on 18 normal volunteers using a 60- to 90-min sequence of scans and were analyzed with model configurations that included a three-compartment, four-parameter model, a three-compartment, three-parameter model, with a fixed value for free plus nonspecific binding; and a two-compartment, two-parameter model. Statistical analysis indicated that a four-parameter model did not yield significantly better fits than a three-parameter model. Goodness of fit was improved for three- versus two-parameter configurations in regions with low receptor density, but not in regions with moderate to high receptor density. Thus, a two-compartment, two-parameter configuration was found to adequately describe the kinetic behavior of (11C)FMZ in human brain, with stable estimates of the model parameters obtainable from as little as 20-30 min of data. Pixel-by-pixel analysis yields functional images of transport rate (K1) and ligand distribution volume (DV), and thus provides independent estimates of ligand delivery and BZR binding.

  19. 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...

  20. Kinetics of coal pyrolysis and devolatilization. Technical progress report

    SciTech Connect

    Seery, D.J.; Freihaut, J.D.; Proscia, W.M.

    1985-01-01

    With the heated grid apparatus and under much lower heating rates (10/sup 2/ to 10/sup 3/ c/sec), the initial stage of HVA bituminous coal devolatilization involves tar formation and evolution. The course of the tar evolution phase is strongly coupled to the heat and mass transport conditions of a particualr experiment. Increasing the ambient pressure introduces significant pressure induced secondary reactions in tars as they evolve from the heating coal particle or in the particle-gas boundary layer immediately adjacent to the particle. The temperature trajectory of a devolatilizing coal particle is influenced not only by particle size but also by the nature of the ambient gas present. Such influences are observed to have significant influence on tar yields and the light gas yields, via secondary reactions of tars as they evolve. The strong coupling among transport and intrinsic coal structure parameters precludes establishment of a true chemical kinetic scheme of coal devolatilization/pyrolysis via a single experiment. The fundamental chemical kinetic scheme must be extracted from a variety of controlled experiments in which transport parameters are carefully measured and transport phenomena included in the data deconvolution. 9 figs., 6 tabs.

  1. Role of the implosion kinetic energy in determining the kilovolt x-ray emission from aluminum-wire-array implosions

    Microsoft Academic Search

    C. Deeney; T. Nash; R. R. Prasad; L. Warren; K. G. Whitney; J. W. Thornhill; M. C. Coulter

    1991-01-01

    Aluminium wire arrays have been imploded on the 6-TW, 4-MA Double-EAGLE generator. An initial diameter of 12.5 mm and mass loading of 164 mug\\/cm have been identified as the optimum parameters to maximize the aluminum kilovolt K-shell yield. The implosion time of 90 ns and the initial radius of 0.625 cm correspond to an implosion kinetic energy of 19.2+\\/-3.6 keV\\/ion.

  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. Parameters of bacterial killing and regrowth kinetics and antimicrobial effect examined in terms of area under the concentration-time curve relationships: action of ciprofloxacin against Escherichia coli in an in vitro dynamic model.

    PubMed Central

    Firsov, A A; Vostrov, S N; Shevchenko, A A; Cornaglia, G

    1997-01-01

    Although many parameters have been described to quantitate the killing and regrowth of bacteria, substantial shortcomings are inherent in most of them, such as low sensitivity to pharmacokinetic determinants of the antimicrobial effect, an inability to predict a total effect, insufficient robustness, and uncertain interrelations between the parameters that prevent an ultimate determination of the effect. To examine different parameters, the kinetics of killing and regrowth of Escherichia coli (MIC, 0.013 microg/ml) were studied in vitro by simulating a series of ciprofloxacin monoexponential pharmacokinetic profiles. Initial ciprofloxacin concentrations varied from 0.02 to 19.2 microg/ml, whereas the half-life of 4 h was the same in all experiments. The following parameters were calculated and estimated: the time to reduce the initial inoculum (N0) 10-, 100-, and 1,000-fold (T90%, T99%, and T99.9%, respectively), the rate constant of bacterial elimination (k(elb)), the nadir level (Nmin) in the viable count (N)-versus-time (t) curve, the time to reach Nmin (t(min)), the numbers of bacteria that survived (Ntau) by the end of the observation period (tau), the area under the bacterial killing and regrowth curve (log N(A)-t curve) from the zero point (time zero) to tau (AUBC), the area above this curve (AAC), the area between the control growth curve (log N(C)-t curve) and the bacterial killing and regrowth curve (log N(A)-t curve) from the zero point to tau (ABBC) or to the time point when log N(A) reaches the maximal values observed in the log N(C)-t curve (I(E); intensity of the effect), and the time shift between the control growth and regrowth curves (T(E); duration of the effect). Being highly sensitive to the AUC, I(E), and T(E) showed the most regular AUC relationships: the effect expressed by I(E) or T(E) increased systematically when the AUC or initial concentration of ciprofloxacin rose. Other parameters, especially T90%, T99%, T99.9%, t(min), and log N0 - log Nmin = delta log Nmin, related to the AUC less regularly and were poorly sensitive to the AUC. T(E) proved to be the best predictor and t(min) proved to be the worst predictor of the total antimicrobial effect reflected by I(E). Distinct feedback relationships between the effect determination and the experimental design were demonstrated. It was shown that unjustified shortening of the observation period, i.e., cutting off the log N(A)-t curves, may lead to the degeneration of the AUC-response relationships, as expressed by log N0 - log Ntau = delta log Ntau, AUBC, AAC, or ABBC, to a point where it gives rise to the false idea of an AUC- or concentration-independent effect. Thus, use of I(E) and T(E) provides the most unbiased, robust, and comprehensive means of determining the antimicrobial effect. PMID:9174184

  4. Buprenorphine kinetics

    Microsoft Academic Search

    Roy E S Bullingham; Henry J McQuay; Andrew Moore; Martin R D Bennett

    1980-01-01

    Buprenorphine kinetics was determined in surgical patients using radioimmunoassay. Buprenorphine was measured in the plasma of 24 patients who had received 0.3 mg buprenorphine intraoperatively. After 3 hr 10 of these patients then received a further 0.3 mg buprenorphine intravenously for postoperative pain relief, and 11 patients were given 0.3 mg intramuscularly: again, plasma levels were measured for 3 hr.

  5. A high sensitivity search for CP violating rare K[sub L] decays and precision measurement of the direct CP violation parameter [epsilon][prime]/[epsilon] via the four K [yields] 2[pi] decay modes, Task J

    SciTech Connect

    Wah, Yau W.

    1993-05-01

    Fermilab experiments E731, E773, E799, and E832 are a series of experiments to investigate the physics of CP violation, CPT violation,and rare decays of the neutral kaon system. E731 finished data taking in 1988, during past year the full data set analysis was completed and yielded ([var epsilon][prime]/[var epsilon])[sub 2[pi

  6. Large-scale reactive molecular dynamics simulation and kinetic modeling of high-temperature pyrolysis of the Gloeocapsomorphaprisca microfossils.

    PubMed

    Zou, Chenyu; Raman, Sumathy; van Duin, Adri C T

    2014-06-12

    The ability to predict accurately the thermal conversion of complex carbonaceous materials is of value in both petroleum exploration and refining operations. Modeling the thermal cracking of kerogen under basinal heating conditions improves the predrill prediction of oil and gas yields and quality, thereby ultimately lowering the exploration risk. Modeling the chemical structure and reactivity of asphaltene from petroleum vacuum residues enables prediction of coke formation and properties in refinery processes, thereby lowering operating cost. The chemical structure-chemical yield modeling (CS-CYM) developed by Freund et al. is more rigorous, time-consuming, and requires a great deal of chemical insight into reaction network and reaction kinetics. The present work explores the applicability of a more fundamental atomistic simulation using the quantum mechanically based reactive force field to predict the product yield and overall kinetics of decomposition of two biopolymers, namely, the Kukersite and Gutternberg. Reactive molecular dynamics (RMD) simulations were performed on systems consisting of 10(4) to 10(5) atoms at different densities and temperatures to derive the overall kinetic parameters and a lumped kinetic model for pyrolysis. The kinetic parameters derived from the simulated pyrolysis of an individual component and the mixture of all four components in Guttenberg reveal the role of cross-talk between the fragments and enhanced reactivity of component A by radicals from other components. The Arrhenius extrapolation of the model yields reasonable prediction for the overall barrier for cracking. Because simulations were run at very high temperature (T > 1500 K) to study cracking within the simulation time of up to 1 ns, it, however, led to the entropically favored ethylene formation as a dominant decomposition route. Future work will focus on evaluating the applicability of accelerated reactive MD approaches to study cracking. PMID:24821589

  7. 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…

  8. Calcium oxalate crystallization kinetics from calorimetric measurements

    Microsoft Academic Search

    O. Söhnel; M. Kroupa; G. Franková; V. Velich

    1997-01-01

    The kinetics of calcium oxalate monohydrate precipitation effected by mixing aqueous solutions of calcium chloride and sodium oxalate together in the stoichiometric ratio at 25 and 37°C, were studied using an isoperibolic reaction twin calorimeter. A method for inferring the crystal growth kinetic parameters from experimental progress curve giving the time development of the integral heat evolved during the precipitation

  9. Copper Retention Kinetics in Acid Soils

    Microsoft Academic Search

    José Eugenio López-Periago; Manuel Arias-Estévez; Juan Carlos Nóvoa-Muñoz; David Fernández-Calviño; Benedicto Soto; Cristina Pèrez-Novo; Jesus Simal-Gándara

    2008-01-01

    Retention and release kinetics of Cu on four acid Typic haplumbrepts developed on two dif- ferent types of parent rock material (granite and amphibolite) were studied with a stirred-fl ow chamber (SFC) method. The granitic soils were lower in organic material and lower in Fe and Al oxides than the soils formed in amphibolite. The kinetic parameters were assessed in

  10. Kinetics of coal pyrolysis and devolatilization

    SciTech Connect

    Not Available

    1986-01-01

    Research continued on coal devolatilization. Results are presented for rapid devolatilization experiments performed with the 20 -- 30 micron size cut of the reference coal - PSOC 1451D - a high volatile bituminous, Appalachian Province coal. In agreement with behavior observed in rapid, radiant transient heating experiments -flash lamp - and moderate heating rate - heated grid - experiments for the same coal, the devolatilization process is observed to occur in four distinct phases: intraparticle heavy hydrocarbon detachment and transport; heavy hydrocarbon desorption; low temperature reformation reactions producing light gases; high temperature secondary reactions of tars and char degassing. Mass fraction yields light fast yields and tar and char characteristics are presented for a range of reactor temperatures which support the phenomenological picture. A phenomenological model is presented which indicates the distinct phases of devolatilization and the importance of heat transfer conditions on both the overall rate of particle mass loss and the observable volatiles product distribution. The approach taken to model heat transfer conditions in each of the devolatilization reactors employed in the overall investigation is outlined. Predicted weight loss results are shown for three different sets of overall devolatilization kinetic parameters given heat transfer conditions in the UTRC Hot Wall - Hot Gas reactor. 47 figs., 1 tab.

  11. Kinetics of coal pyrolysis and devolatilization

    SciTech Connect

    Seery, D.J.; Freihaut, J.D.; Proscia, W.M.

    1991-01-01

    Research continued on coal pyrolysis and devolatilization. The effects of reaction process on the transient temperature history of a particle have been examined. The reaction process is found to significantly reduce the temperature gradient across a burning particle relative to a nonreactive particle. The pyrolysis process, on the other hand, does not severely affect the temperature history of a heating particle for the kinetic parameters employed. Devolatilization experiments have been performed on various size cuts on an HVA Bituminous coal in entrained flow and heated grid reactors. Weight loss measurements were made in the entrained flow reactor (EFR) and tar yields and molecular weight distributions were measured for the heated grid reactor (HGR) experiments. The results imply the initial phase of the devolatilization of the HVA Bituminous coal is heat transfer controlled because the rate of tar information and evolution is heat transfer controlled. The invariance in EFR ultimate weight loss and low pressure tar yields and characteristics with change in particle size can be explained by morphological considerations of the parent coal particles. The non-symmetric, irregular shapes of the coal particles result in an intraparticle mass distribution much nearer an interphase surface area than that of an equivalent sphere or cube. 5 refs., 37 figs., 9 tabs.

  12. Photosystem II quantum yields, off-line measured P\\/I parameters and carbohydrate dynamics in Chlorella vulgaris grown under a fluctuating light regime and its application for optimizing mass cultures

    Microsoft Academic Search

    Bernd M. A. Kroonl; Nicole A. Dijkman

    1996-01-01

    The influence of hourly fluctuating irradiance on a continuous culture ofChlorella vulgaris on the quantum yield for stable charge separation at photosystem II (?II,E) was examined. Linear regression analysis between ?II,E and Ft or Fm' showed that Ft or Fm' explained 86 and 54% of the variability in ?II,E respectively. The total amount of reducible QA remained constant during the

  13. 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

  14. Kinetic Theory

    NSDL National Science Digital Library

    Wolfgang Christian

    This page contains two Physlets that are able to share data using their common superclass, SApplet. The Molecular Physlet is able to tag a particle as a data source. In particular, any tagged particle can deliver x, y, vx, and vy values to a data listener. This script tags two particles and assigns these data sources to two different series in the DataGraph Physlet. The connection can show any analytic function of the position and velocity components including the particle speed or kinetic energy.

  15. 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 ...

  16. Lipases: Valuable catalysts for dynamic kinetic resolutions.

    PubMed

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

    2015-01-01

    Dynamic kinetic resolutions have proven to be a useful method for the preparation of enantiopure compounds from racemates, leading to the formation of a single enantiomer in theoretically 100% yield. Because lipases are ubiquitous, versatile, stereoselective and robust biocatalysts, they have been successfully applied as co-catalysts in these reactions, being mostly combined with metals in the chemoenzymatic dynamic kinetic resolutions of alcohols and amines. PMID:25795055

  17. Glucose reversion reaction kinetics.

    PubMed

    Pilath, Heidi M; Nimlos, Mark R; Mittal, Ashutosh; Himmel, Michael E; Johnson, David K

    2010-05-26

    The reversion reactions of glucose in mildly acidic aqueous solutions have been studied, and the kinetics of conversion to disaccharides has been modeled. The experiments demonstrate that, at high sugar loadings, up to 12 wt % of the glucose can be converted into reversion products. The reversion products observed are primarily disaccharides; no larger oligosaccharides were observed. Only disaccharides linked to the C1 carbon of one of the glucose residues were observed. The formation of 1,6-linked disaccharides was favored, and alpha-linked disaccharides were formed at higher concentrations than beta-linked disaccharides. This observation can be rationalized on the basis of steric effects. At temperatures >140 degrees C, the disaccharides reach equilibrium with glucose and the reversion reaction competes with dehydration reactions to form 5-hydroxymethylfurfural. As a result, disaccharide formation reaches a maximum at reaction times <10 min and decreases with time. At temperatures <130 degrees C, disaccharide formation reaches a maximum at reaction times >30 min. As expected, disaccharide formation exhibits a second-order dependence upon glucose concentration. Levoglucosan formation is also observed; because it shows a first-order dependence upon glucose concentration, its formation is more significant at low concentrations (10 mg mL(-1)), whereas disaccharide formation dominates at high concentrations (200 mg mL(-1)). Experiments conducted using glucose and its disaccharides were calibrated with readily available standards. The kinetic parameters for hydrolysis of some glucodisaccharides could be compared to published literature values. From these experiments, the kinetics and activation energies for the reversion reactions have been calculated. The rate parameters can be used to model the formation of the disaccharides as a function of reaction time and temperature. A new and detailed picture of the molecular mechanism of these industrially important reversion reactions has been developed. PMID:20429509

  18. 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.

  19. Modeling recovery and recrystallization kinetics in cold-rolled Ti-Nb stabilized interstitial-free steel

    NASA Astrophysics Data System (ADS)

    Mukunthan, K.; Hawbolt, E. B.

    1996-11-01

    The recovery and recrystallization kinetics in an 80 pct cold-rolled Ti-Nb stabilized interstitial-free (IF) steel have been characterized for isothermal (500 to 760 °C) and continuous heating (0.025 °C s-1 to 20.2 °C s-1 annealing. Isothermal recovery kinetics, as monitored by {220} X-ray peak resolution measurements, were described using a semiempirical logarithmic equation. The IF steel recovered relatively easily, with approximately 45 to 60 pct of the total peak resolution occurring prior to the onset of recrystallization. An iterative procedure was adopted to separate the diffraction effects associated with the concurrent recovery and recrystallization processes. Microstructural observations indicated that the recrystallization event was heterogeneous, with preferential nucleation and early site saturation at grain boundaries in the cold-rolled material. Isothermal recrystallization kinetics, determined by quantitative metallography, were described using the Johnson-Mehl-Avrami-Kol-mogorov (JMAK) and Speich-Fisher (SF) relationships. An alternative description of the isothermal recrystallization kinetics was provided by the experimentally determined microstructural path function, independent of the thermal path, and an empirical kinetic function describing the interface averaged growth rate. The kinetic analysis yielded an apparent recrystallization activation energy of 501.7 kJ/mole, indicating severe retardation of recrystallization in IF steels. Recovery and recrystallization kinetics during continuous heating have been modeled using the isothermal kinetic parameters, assuming the validity of the principle of additivity. The results were validated by experimental measurements obtained at heating rates simulating both batch and continuous annealing. Although the Scheil additivity equation overestimated the recrystallization start time for continuous heating conditions, the associated higher temperature and more rapid initial recrystallization resulted in similar overall kinetics.

  20. Estimating parameters for generalized mass action models with connectivity information

    PubMed Central

    Ko, Chih-Lung; Voit, Eberhard O; Wang, Feng-Sheng

    2009-01-01

    Background Determining the parameters of a mathematical model from quantitative measurements is the main bottleneck of modelling biological systems. Parameter values can be estimated from steady-state data or from dynamic data. The nature of suitable data for these two types of estimation is rather different. For instance, estimations of parameter values in pathway models, such as kinetic orders, rate constants, flux control coefficients or elasticities, from steady-state data are generally based on experiments that measure how a biochemical system responds to small perturbations around the steady state. In contrast, parameter estimation from dynamic data requires time series measurements for all dependent variables. Almost no literature has so far discussed the combined use of both steady-state and transient data for estimating parameter values of biochemical systems. Results In this study we introduce a constrained optimization method for estimating parameter values of biochemical pathway models using steady-state information and transient measurements. The constraints are derived from the flux connectivity relationships of the system at the steady state. Two case studies demonstrate the estimation results with and without flux connectivity constraints. The unconstrained optimal estimates from dynamic data may fit the experiments well, but they do not necessarily maintain the connectivity relationships. As a consequence, individual fluxes may be misrepresented, which may cause problems in later extrapolations. By contrast, the constrained estimation accounting for flux connectivity information reduces this misrepresentation and thereby yields improved model parameters. Conclusion The method combines transient metabolic profiles and steady-state information and leads to the formulation of an inverse parameter estimation task as a constrained optimization problem. Parameter estimation and model selection are simultaneously carried out on the constrained optimization problem and yield realistic model parameters that are more likely to hold up in extrapolations with the model. PMID:19432964

  1. EXTRACTION OF NEEM OIL (Azadirachta indica A. Juss) USING N-HEXANE AND ETHANOL: STUDIES OF OIL QUALITY, KINETIC AND THERMODYNAMIC

    Microsoft Academic Search

    Maria Yuliana Liauw; F. A. Natan; D. Ikasari; N. Indraswati; F. E. Soetaredjo

    2008-01-01

    In this experiment, Neem oil extraction from Neem seeds (Azadirachta indica A. Juss) with n-hexane and ethanol are presented. Effects of particle size, temperature and type of solvent on the extraction kinetic and thermodynamic parameters were studied. Results showed that the maximum oil yields were 41.11% for ethanol and 44.29% for n-hexane at 50 o C, and 0.425-0.71 mm particle

  2. Kinetics of Reactive Wetting

    SciTech Connect

    YOST, FREDERICK G.

    1999-09-09

    The importance of interfacial processes in materials joining has a long history. A significant amount of work has suggested that processes collateral to wetting can affect the extent of wetting and moderate or retard wetting rate. Even very small additions of a constituent, known to react with the substrate, cause pronounced improvement in wetting and are exploited in braze alloys, especially those used for joining to ceramics. The wide diversity of processes, such as diffusion, chemical reaction, and fluxing, and their possible combinations suggest that various rate laws should be expected for wetting kinetics depending on the controlling processes. These rate laws are expected to differ crucially from the standard fluid controlled wetting models found in the literature. Voitovitch et al. and Mortensen et al. have shown data that suggests diffusion control for some systems and reaction control for others. They also presented a model of wetting kinetics controlled by the diffusion of a constituent contained by the wetting fluid. In the following a model will be constructed for the wetting kinetics of a small droplet of metal containing a constituent that diffuses to the wetting line and chemically reacts with a flat, smooth substrate. The model is similar to that of Voitovitch et al. and Mortensen et al. but incorporates chemical reaction kinetics such that the result contains both diffusion and reaction kinetics. The model is constructed in the circular cylinder coordinate system, satisfies the diffusion equation under conditions of slow flow, and considers diffusion and reaction at the wetting line to be processes in series. This is done by solving the diffusion equation with proper initial and boundary conditions, computing the diffusive flux at the wetting line and equating this to both the convective flux and reaction flux. This procedure is similar to equating the current flowing in components of a series circuit. The wetting rate will be computed versus time for a variety of diffusion and reaction conditions. A transition is observed from nonlinear (diffusive) to linear (reactive) behavior as the control parameters (such as the diffusion coefficient) are modified. This is in agreement with experimental observations. The adequacy of the slow flow condition, used in this type of analysis, is discussed and an amended procedure is suggested.

  3. Parameter estimation for mathematical models of NKCC2 cotransporter isoforms

    PubMed Central

    Marcano, Mariano; Yang, Hun-Mo; Nieves-González, Aniel; Clausen, Chris; Moore, Leon C.

    2009-01-01

    An optimization problem, formulated using a nonlinear least-squares approach, was used to estimate parameters for kinetic models of the three isoforms of the kidney-specific Na-K-2Cl (NKCC2) cotransporter. Specifically, the optimization problem estimates the magnitude of model parameters (i.e., off-binding and translocation rate constants) by minimizing the distance between model unidirectional fluxes and published unidirectional 86Rb+ uptake curves for the A, B, and F isoforms of the NKCC2 cotransporter obtained in transfected Xenopus oocytes. By using different symmetry assumptions, NKCC2 models with five, six, seven, or eight parameters were evaluated. The optimization method identified parameter sets that yielded computed unidirectional fluxes consistent with the uptake data. However, the parameter values were not unique, in that systematic exploration of the parameter space revealed alternative parameter sets that fit the data with similar accuracy. Finally, we demonstrate that the optimization method can identify parameter sets for the three transporter isoforms that differ only in ion binding affinities, a result that is consistent with a published mutagenesis analysis of the molecular and structural bases for the differences in 86Rb+ uptake among the A, B, and F isoforms. These NKCC2 cotransporter models will facilitate the development of larger scale models of ion transport by thick ascending limb cells. PMID:19036850

  4. 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.

  5. sigma. -acetlyide complexes of rhodium(I), rhodium(II), and rhodium(III). Correlation between electrochemical (E degree prime ) and spectroscopic (. Delta. nu. (C=C)) parameters and d. pi. (metal) yields. pi. * (acetylide) transfer

    SciTech Connect

    Bianchini, C.; Meli, A.; Peruzzini, M.; Vacca, A. (Istituto per lo Studio della Stereochimica ed Energetica dei Composti di Coordinazione, Firenze (Italy)); Laschi, F.; Zanello, P. (Universita de Siena (Italy)); Ottaviani, F.M. (Universita di Firenze (Italy))

    1990-02-01

    Terminal acetylide complexes of rhodium(II) and rhodium(III) with the tripodal polyphosphine ligands N(CH{sub 2}CH{sub 2}PPh{sub 2}){sub 3} (NP{sub 3}) and P(CH{sub 2}CH{sub 2}PPh{sub 2}){sub 3} (PP{sub 3}) have been synthesized either by controlled-potential coulometry or by chemical oxidation of the Rh(I) neutral {sigma}-acetylide compounds ((L)Rh(C{triple bond}CR)) (L = NP{sub 3}, R = Ph, CO{sub 2}Et; L = PP{sub 3}, R = Ph, CO{sub 2}Et, CHO). All of the compounds undergo electron-transfer reactions that encompass the Rh(I), Rh(II), and Rh(III) oxidation states of the metal. The characterization has been carried out by IR, NMR, and ESR techniques. The presence of a significant d{pi} (metal) {yields} {pi} (acetylide) interaction in the HOMO is diagnosed by comparing and contrasting either the stretching frequencies {nu}(C{triple bond}C) within the members of the ((L)Rh(C{triple bond}CR)){sup n+} family (n = 0-2) or the redox potentials E{degree}{prime} within the more numerous ((L)RhX) family (X = C1, H, C{triple bond}CR, CN, CO).

  6. 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

  7. Optimization and kinetic modeling of cell-associated camptothecin production from an endophytic Fusarium oxysporum NFX06.

    PubMed

    Musavi, Sogra Fathima; Dhavale, Abhinandan; Balakrishnan, Raj Mohan

    2015-01-01

    The production of cell-associated camptothecin (CPT) from an endophytic fungus Fusarium oxysporum NFX06 isolated from Nothapodytes foetida and its kinetics studies were proposed. Response surface methodology (RSM) based on central composite design (CCD) was used to construct a model to describe the effects of substrate concentration. Three independent variables (dextrose, peptone, and MgSO4) were successfully employed to study the yield of CPT under submerged fermentation. The maximum yield of CPT obtained from CCD was about 598.0 ng/g biomass. The model-validated optimum predicted CPT yield and experimental CPT yield from the biomass were found to be 628.08 ng/g and 610.09 ng/g at the concentrations of dextrose 42.64 (g/L), peptone 9.23 (g/L), and MgSO4 0.26 (g/L) respectively. The predicted yield of CPT was 4.90% higher than the value obtained from CCD and 2.85% higher than the value obtained from experiment conducted at optimum conditions. The kinetic parameters, maximum specific growth rate ?max=1.212 day(-1), growth-associated CPT production coefficient (?=29.35 ng/g biomass), and non-growth-associated CPT production coefficient (?=0.03 ng CPT/g biomass-day) were obtained. The logistic model was found suitable to predict mycelial growth with a high determination coefficient (R2). Luedeking-Piret and modified Luedeking-Piret models were employed to represent the product kinetics and substrate consumption kinetics. A good concurrence was found between the experimental and predicted values, representing that the unstructured models were able to illustrate the fermentation profile effectively. PMID:24840354

  8. Statistical circuit design for yield improvement in CMOS circuits

    NASA Technical Reports Server (NTRS)

    Kamath, H. J.; Purviance, J. E.; Whitaker, S. R.

    1990-01-01

    This paper addresses the statistical design of CMOS integrated circuits for improved parametric yield. The work uses the Monte Carlo technique of circuit simulation to obtain an unbiased estimation of the yield. A simple graphical analysis tool, the yield factor histogram, is presented. The yield factor histograms are generated by a new computer program called SPICENTER. Using the yield factor histograms, the most sensitive circuit parameters are noted, and their nominal values are changed to improve the yield. Two basic CMOS example circuits, one analog and one digital, are chosen and their designs are 'centered' to illustrate the use of the yield factor histograms for statistical circuit design.

  9. COLOR KINETICS OF AONLA SHREDS WITH AMALGAMATED BLANCHING DURING DRYING

    Microsoft Academic Search

    R. K. Gupta; Pradeep Kumar; Alka Sharma; R. T. Patil

    2010-01-01

    Kinetics of color changes of aonla (Emblica officinalis) shreds were investigated using objective colorimetric measurements during drying with different blanching treatments. Kinetic parameters chroma, hue, total color difference and browning index (BI) for the color change were determined using Hunter L, a, b values. The drying process changed all three color parameters (L, a, b), causing a color shift towards

  10. Color Kinetics of Aonla Shreds with Amalgamated Blanching During Drying

    Microsoft Academic Search

    R. K. Gupta; Pradeep Kumar; Alka Sharma; R. T. Patil

    2011-01-01

    Kinetics of color changes of aonla (Emblica officinalis) shreds were investigated using objective colorimetric measurements during drying with different blanching treatments. Kinetic parameters chroma, hue, total color difference, and browning index for the color change were determined using Hunter L, a, b values. The drying process changed all three color parameters (L, a, b), causing a color shift towards the

  11. 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..

  12. DRYING KINETICS OF ONION AND GREEN PEPPER

    Microsoft Academic Search

    C. T. Kiranoudis; Z. B. Maroulis; D. Marinos-Kouris

    1992-01-01

    Drying kinetics were examined by introducing one-parameter empirical mass aansfer model, where the characteristic parameter (drying constant), is a function of process variables. The model was tested with data produced in an experimental through dryer, using direct regression analysis. Investigation involved two vegetables (namely, green pepper and onion) and a wide range of characteristic dimensions of samples and air conditions

  13. Anomalous pH dependence of the reactions of carbenicillin and sulbenicillin with Bacillus cereus beta-lactamase I. Influence of the alpha-substituent charge on the kinetic parameters.

    PubMed

    Hardy, L W; Nishida, C H; Kirsch, J F

    1984-03-13

    The pH dependence of k(cat) for the Bacillus cereus beta-lactamase I catalyzed hydrolysis of carbenicillin(VI), which differs from benzylpenicillin (I) in having a carboxylic moiety alpha to the phenyl ring, exhibits a profile consistent with a model in which the alpha-COOH and alpha-COO forms of the ES complex turn over with respective rate constants of 2152 s(-1) and 384 s(-1). The pK(a)(app) for the alpha-COOH is shifted from 3.2 in solution to 6.1 in the ES complex. The normalized k(cat)/K(m) vs. pH profile for VI is not superimposable on that of I, indicating that both the neutral and anionic forms of the carboxyl moiety of VI combine with the enzyme to give the first irreversibly formed complex, presumably the acyl-enzyme. Quantitative accord with the kinetic data is achieved only through fitting to a model where kinetically significant proton transfer in the ES complex is permitted. The second-order rate constants for the reaction of the enzyme with the alpha-COOH and alpha-COO forms of VI are 2.2 x 10(8) M(-1) s(-1) and 3.8 x 10(6) M(-1) s(-1), respectively. The high value for the alpha-COOH form suggests that this reaction may be in part diffusion controlled. This conjecture is borne out by the observation that the sensitivity of k(cat)/K(m) to eta(rel) decreases with increasing pH for VI, whereas this sensitivity is pH independent for I. These conclusions are further supported by the results of a kinetic investigation of the pH dependence of sulbenicillin (VII) where an alpha-SO3H replaces the alpha-COOH of VI. The strongly acidic sulfonic acid moiety of VII is fully ionized throughout nearly the entire pH range of interest, and its kinetics, as a function of pH, are very similar to those observed and calculated for the alpha-COO form of VI. Solvent deuterium kinetic isotope effects are reported for k(cat) and k(cat)/K(m) for both VI and VII. PMID:11491128

  14. 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.

  15. Effects of Experimental Conditions on Extraction Yield of Extracellular Polymeric Substances by Cation Exchange Resin

    PubMed Central

    Cho, Jinwoo; Hermanowicz, Slawomir W.; Hur, Jin

    2012-01-01

    Effects of experimental conditions on the yield of extracellular polymeric substances (EPSs) extraction by cation exchange resin (CER) were investigated using activated sludge flocs. The experimental variables included resin dose, extraction time, sample dilution, and storage time. An empirical model was proposed to describe the kinetics of extraction process. The extraction yield increases with the extraction time and CER dose until it reached the maximum amount of EPS extraction. The maximum yield of EPS was affected as well by the sample dilution, exhibiting a decreasing trend with increasing dilution factor. It was also found that the amount of EPS extracted from a raw sample depends on the storage time. Once EPS was extracted from the sample, however, the EPS keeps its original quantity under storage at 4°C. Based on the model, the maximum amount of EPS extraction and yield rate could be estimated for different conditions. Comparing the model parameters allows one to quantitatively compare the extraction efficiencies under various extracting conditions. Based on the results, we recommend the original sample should be diluted with the volume ratio of above 1?:?2 and a raw sample should be treated quickly to prevent the reduction of sample homogeneity and original integrity. PMID:22919352

  16. Complex kinetics of fluctuating enzymes: phase diagram characterization of a minimal kinetic scheme.

    PubMed

    Min, Wei; Jiang, Liang; Xie, X Sunney

    2010-05-01

    Enzyme molecules are dynamic entities with stochastic fluctuation in both protein conformation and enzymatic activity. However, such a notion of fluctuating enzymes, best characterized by recent single-molecule experiments, was not considered in the classic Michaelis-Menten (MM) kinetic scheme. Here we incorporate the fluctuation concept into the reversible MM scheme, and solve analytically all the possible kinetics (i.e., substrate concentration dependent enzymatic velocity) for a minimal model of fluctuating enzymes. Such a minimal model is found to display a variety of distinct kinetic behaviors (phases) in addition to the classic MM kinetics; excess substrate inhibition, sigmoidal kinetics, and concave biphasic kinetics. We find that all these kinetic phases are interrelated and unified under the framework of fluctuating enzymes and can be adequately described by a phase diagram that consists of two master parameters. Functionally, substrate inhibition, sigmoidal kinetics, and convex biphasic phases exhibit positive cooperativity, whereas concave biphasic phases display negative cooperativity. Remarkably, all these complex kinetics are produced by fluctuating enzymes with single substrate binding site, but the two conformations are, therefore, fundamentally different from the classic MWC and KNF models that require multiple subunit or binding sites. This model also suggests that, for a given enzyme/substrate pair, the non-MM behaviors could undergo transitions among different kinetic phases induced by varying product concentrations, owing to the fundamental Haldane symmetry in the reversible MM scheme. PMID:20235274

  17. Temperature-Dependent Kinetic Model for Nitrogen-Limited Wine Fermentations?

    PubMed Central

    Coleman, Matthew C.; Fish, Russell; Block, David E.

    2007-01-01

    A physical and mathematical model for wine fermentation kinetics was adapted to include the influence of temperature, perhaps the most critical factor influencing fermentation kinetics. The model was based on flask-scale white wine fermentations at different temperatures (11 to 35°C) and different initial concentrations of sugar (265 to 300 g/liter) and nitrogen (70 to 350 mg N/liter). The results show that fermentation temperature and inadequate levels of nitrogen will cause stuck or sluggish fermentations. Model parameters representing cell growth rate, sugar utilization rate, and the inactivation rate of cells in the presence of ethanol are highly temperature dependent. All other variables (yield coefficient of cell mass to utilized nitrogen, yield coefficient of ethanol to utilized sugar, Monod constant for nitrogen-limited growth, and Michaelis-Menten-type constant for sugar transport) were determined to vary insignificantly with temperature. The resulting mathematical model accurately predicts the observed wine fermentation kinetics with respect to different temperatures and different initial conditions, including data from fermentations not used for model development. This is the first wine fermentation model that accurately predicts a transition from sluggish to normal to stuck fermentations as temperature increases from 11 to 35°C. Furthermore, this comprehensive model provides insight into combined effects of time, temperature, and ethanol concentration on yeast (Saccharomyces cerevisiae) activity and physiology. PMID:17616615

  18. 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

  19. Estimating Corn Grain Yields 

    E-print Network

    Blumenthal, Jurg M.; Thompson, Wayne

    2009-06-12

    . Plan and prepare for sample and data collection. 2. Collect field samples and record data. 3. Analyze the data using the interactive grain yield calculator in the Appendix. Plan and prepare for sample and data collection Predetermine sample locations... when calculating the grain yield estimate. Refer to Fig 1 to see examples of small, medium, and large kernels. Collect field samples and record data 1. Sample area. Select a length of row that is similar to the surrounding rows. Position your...

  20. 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.

  1. Kinetics of Uranium(VI) Desorption from Contaminated Sediments: Effect of Geochemical Conditions and Model Evaluation

    SciTech Connect

    Liu, Chongxuan; Shi, Zhenqing; Zachara, John M.

    2009-09-01

    Stirred-flow cell experiments were performed to investigate the kinetics of uranyl [U(VI)] desorption from a contaminated sediment collected from the Hanford 300 Area at the US Department of Energy (DOE) Hanford Site, Washington. Three influent solutions of variable pH, Ca and carbonate concentrations that affected U(VI) aqueous and surface speciation were used under dynamic flow conditions to evaluate the effect of geochemical conditions on the rate of U(VI) desorption. The measured rate of U(VI) desorption varied with solution chemical composition that evolved as a result of thermodynamic and kinetic interactions between the influent solutions and sediment. The solution chemical composition that led to a lower equilibrium U(VI) sorption to the solid phase yielded a faster desorption rate. The experimental results were used to evaluate a multi-rate, surface complexation model (SCM) that has been proposed to describe U(VI) desorption kinetics in the Hanford sediment that contained complex sorbed U(VI) species in mass transfer limited domains. The model was modified and supplemented by including multi-rate, ion exchange reactions to describe the geochemical interactions between the solutions and sediment. With the same set of model parameters, the modified model reasonably well described the evolution of major ions and the rates of U(VI) desorption under variable geochemical and flow conditions, implying that the multi-rate SCM is an effective way to describe U(VI) desorption kinetics in subsurface sediments.

  2. 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 (2wt%, 3wt%, and 4wt%) 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 3wt% H2SO4 at 130°C for 75min, which yielded a high concentration of fermentable sugars (xylose 8.934g/L, glucose 1.363g/L, and arabinose 1.203g/L) and low concentrations of microbial inhibitors (furfural 0.526g/L and acetic acid 1.192g/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

  3. Cesium removal and kinetics equilibrium: Precipitation kinetics

    SciTech Connect

    Barnes, M.J.

    1999-12-17

    This task consisted of both non-radioactive and radioactive (tracer) tests examining the influence of potentially significant variables on cesium tetraphenylborate precipitation kinetics. The work investigated the time required to reach cesium decontamination and the conditions that affect the cesium precipitation kinetics.

  4. Kinetic Modeling of Esterification of Ethylene Glycol with Acetic Acid

    SciTech Connect

    Yadav, Vishnu P.; Maity, Sunil K. [Department of Chemical Engineering, Indian Institute of Technology, Hyderabad, Ordnance Factory Estate, Yeddumailiram-502205, Andhra Pradesh (India); Mukherjee, Rudra Palash [Department of Chemical Engineering, National Institute of Technology, Durgapur, Mahatma Gandhi Avenue, Durgapur-713209, West Bengal (India); Bantraj, Kandi [Department of Chemical Engineering, National Institute of Technology, Rourkela-769008, Orissa (India)

    2010-10-26

    The reaction kinetics of the esterification of ethylene glycol with acetic acid in the presence of cation exchange resin has been studied and kinetic models based on empirical and Langmuir approach has been developed. The Langmuir based model involving eight kinetic parameters fits experimental data much better compared to empirical model involving four kinetic parameters. The effect of temperature and catalyst loading on the reaction system has been analyzed. Further, the activation energy and frequency factor of the rate constants for Langmuir based model has been estimated.

  5. Kinetic modeling of fructooligosaccharide production using Aspergillus oryzae N74.

    PubMed

    Guio, Felipe; Rugeles, Luz D; Rojas, Sonia E; Palomino, María P; Camargo, María C; Sánchez, Oscar F

    2012-05-01

    In this study, the kinetic for the bioconversion of sucrose to fructooligosaccharides (FOS) by free cells of Aspergillus oryzae N74 was modeled. In addition, the effect of immobilized glucose isomerase (IGI) on FOS production yield was evaluated and considered in the kinetic model. The selected kinetic models were based on a proposed reaction mechanism described by elementary rate equations and modified Michaelis-Menten kinetic equations. The use of IGI allowed to increase the FOS production yield (FOS(Yield)) and to decrease the glucose/fructose (G/F) ratio. At shake flask scale, the FOS(Yield) was increased in 4.7 % (final yield 58.3 %), while the G/F ratio was reduced 6.2-fold. At bench scale, the FOS(Yield) was increased in 2.2 % (final yield 57.3 %), while the G/F ratio was reduced 4.5-fold. The elementary rate equation model was the one that best adjusted experimental data for FOS production using either the fungus biomass or the mixture fungus biomass-IGI, with an overall average percentage error of 7.2. Despite that FOS production yield was not highly improved by the presence of IGI in the reaction mixture, it favored the reduction of residual glucose in the mixture, avoiding the loss of material owe to glucose transformation to fructose that can be used in situ for FOS production by the fructosyltransferase. PMID:22528647

  6. 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...

  7. Investigation of Cr etch kinetics

    NASA Astrophysics Data System (ADS)

    Wu, Banqiu

    2003-12-01

    Studies on Cr etch and its kinetics were carried out using a 50KeV photomask e-beam writing system, an ICP plasma etcher, chemically amplified resist (CAR), and a scanning electron microscope (SEM) metrology tool. A Cr etch rate equation was developed, showing good agreement with experimental data. Both the theoretical rate equation and experimental results showed that the main Cr etch rate effect parameters were oxygen mass flow rate, oxygen partial pressure, and ICP power. It was found that pressure plays a very important role in critical dimension (CD) uniformity etch contribution, loading effects, isolated/dense (I/D) etch CD bias, and etch CD movement. Etch kinetic information was found to be very helpful for improving CD uniformity, reducing pattern (local loading) effects, and controlling CD movement at the etch step. Some obsolete-pattern photomasks were used in the kinetic study. The main advantages of using obsolete photomasks include reducing resist effects on Cr etch rate investigation, obtaining much more etch kinetics data, and significantly lowering process development costs normally incurred from lithography tool time and raw photomask material consumption.

  8. Ecosystem Viable Yields

    E-print Network

    De Lara, Michel; Oliveros-Ramos, Ricardo; Tam, Jorge

    2011-01-01

    The World Summit on Sustainable Development (Johannesburg, 2002) encouraged the application of the ecosystem approach by 2010. However, at the same Summit, the signatory States undertook to restore and exploit their stocks at maximum sustainable yield (MSY), a concept and practice without ecosystemic dimension, since MSY is computed species by species, on the basis of a monospecific model. Acknowledging this gap, we propose a definition of "ecosystem viable yields" (EVY) as yields compatible i) with biological viability levels for all time and ii) with an ecosystem dynamics. To the difference of MSY, this notion is not based on equilibrium, but on viability theory, which offers advantages for robustness. For a generic class of multispecies models with harvesting, we provide explicit expressions for the EVY. We apply our approach to the anchovy--hake couple in the Peruvian upwelling ecosystem between the years 1971 and 1981.

  9. 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/.

  10. 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

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

    SciTech Connect

    Häggström, Ida, E-mail: ida.haggstrom@radfys.umu.se; Karlsson, Mikael; Larsson, Anne [Department of Radiation Sciences, Umeå University, Umeå 90187 (Sweden); Schmidtlein, C. Ross [Department of Medical Physics, Memorial Sloan Kettering Cancer Center, New York 10065 (United States)

    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.

  12. Electronic Process Limited Yield

    Microsoft Academic Search

    Gary W. Maier; Shawn Smith

    2000-01-01

    Today's industry is expanding the high performance microprocessor market into the consumer market place. This market requires very low cost, high reliability, stricter SPQL levels, and very high yields. A New Diagnostic Methodology is required to meet these new demands. This paper addresses a broad scope of issues from Product Design and Manufacturing Test, to Diagnostic and Data Analysis Tools.

  13. Biotechnology of Forest Yield

    Microsoft Academic Search

    Peter Farnum; Roger Timmis; J. Laurence Kulp

    1983-01-01

    Silvicultural and genetic manipulation of Douglas fir and loblolly pine plantations have increased their productivity 70 and 300 percent, respectively, over natural forests on the same sites. Yet these intensively managed plantations are achieving less than 50 percent of their potential productivity. Future increases in yield will result from optimization of nutritional treatments, control of noncrop vegetation, and advances in

  14. On fast reactor kinetics studies

    SciTech Connect

    Seleznev, E. F.; Belov, A. A. [Nuclear Safety Inst. of the Russian Academy of Sciences IBRAE (Russian Federation); Matveenko, I. P.; Zhukov, A. M.; Raskach, K. F. [Inst. for Physics and Power Engineering IPPE (Russian Federation)

    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)

  15. 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.

  16. KINETIC STUDIES ON REACTION OF SULFINIC ACIDS WITH CONJUGATED ALKENES: I. KINETICS OF THE ADDITION OF ARENESULFINIC ACIDS TO ? -NITROSTYRENE

    Microsoft Academic Search

    D. I. Aleksiev; S. Ivanova; Tashkova Kr

    1993-01-01

    Addition of unsubstituted and substituted benzenesulfinic acids to ?-nitrostyrene has been studied kinetically by means of ultraviolet spectrophotometry. The reaction follows the second-order kinetics: v=k. [?-nitrostyrene][sulfinic acid]. The dependence of rate constants on the temperature and influence of ?-substituents on the kinetic parameters have been investigated. The activating energy and the enthalpy of activation are calculated in the temperature range

  17. 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.

  18. Kinetics of a chlorate-accumulating, perchlorate-reducing bacterium

    Microsoft Academic Search

    Margaret Dudley; Anna Salamone; Robert Nerenberg

    2008-01-01

    Kinetics parameters for perchlorate and chlorate reduction were determined for Dechlorosoma sp. HCAP-C, also known as Dechlorosoma sp. PCC, a novel perchlorate-reducing bacterium (PCRB) that accumulates significant amounts of chlorate during perchlorate reduction. This is the first report of such behavior, and we hypothesized the perchlorate reduction kinetics would be markedly different from other PCRB. In batch tests with initial

  19. Influence of coal briquette size on the combustion kinetics

    Microsoft Academic Search

    N. Emre Altun; Cahit Hicyilmaz; A. Suat Bagci

    2004-01-01

    In this study, the effects of one of the most important parameters in coal briquetting process, the briquette size, on the combustion behaviour of coal briquettes were determined from the view of combustion kinetics, i.e. their liability to ignite and combust. Effect of size on the combustion kinetics was treated by two different approaches. The first one consists of combustion

  20. Modulation of calcium oxalate monohydrate crystallization kinetics in vitro

    Microsoft Academic Search

    Dik J Kok; Socrates E Papafoulos; Leo J M J Blomen; Olav L M Bijvoet; S E Papapoulos

    1988-01-01

    Modulation of calcium oxalate monohydrate crystallization kinetics in vitro. The effects of several low and high molecular weight (mol wt) compounds on the kinetics of calcium oxalate crystallization were examined using a seeded crystal growth method in which the solubility, the growth and the agglomeration of calcium oxalate crystals were measured as three separate and system-independent parameters. Git-rate, magnesium, phosphate,

  1. Original article Compared kinetics of plasma creatine kinase activity

    E-print Network

    Boyer, Edmond

    Original article Compared kinetics of plasma creatine kinase activity in rabbits after intravenous 1993) Summary ― The purpose of this study was to compare the disposition parameters of creatine muscle damage. creatine kinase / kinetics / muscle damage / rabbit Résumé ― Cinétiques comparées

  2. New kinetic energy operator for variable mass systems

    NASA Astrophysics Data System (ADS)

    Vubangsi, M.; Tchoffo, M.; Fai, L. C.

    2014-06-01

    We have derived a new kinetic energy operator for studying variable mass systems. Our operator is dependent on the space deformation profile subject to the order parameter . At zeroth order, we recover the standard one-dimensional kinetic energy operator for a constant mass system while, for , the operator is interpreted as describing a system endowed with a position-dependent effective mass.

  3. Propane oxidation: kinetic mechanism and applications

    Microsoft Academic Search

    C. K. Westbrook; W. J. Pitz; P. A. Urtiew

    1983-01-01

    Development and validation of a detailed chemical kinetic reaction mechanism for the oxidation of propane and propylene is described. Comparisons between computed and experimental data for combustion in shock tubes and flow reactor are used to determine the set of reaction rate parameters. Theoretical models include this reaction mechanism for propane oxidation are then used to examine detonation properties for

  4. Evaluated Kinetic Data for Combustion Modelling

    Microsoft Academic Search

    D. L. Baulch; C. J. Cobos; R. A. Cox; C. Esser; P. Frank; Th. Just; J. A. Kerr; M. J. Pilling; J. Troe; R. W. Walker; J. Warnatz

    1992-01-01

    This compilation contains critically evaluated kinetic data on elementary homogeneous gas phase chemical reactions for use in modelling combustion processes. Data sheets are presented for some 196 reactions. Each data sheet sets out relevant thermodynamic data, rate coefficient measurements, an assessment of the reliability of the data, references, and recommended rate parameters. Tables summarizing the preferred rate data are also

  5. 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

  6. Kinetics of the stability of broccoli (Brassica oleracea Cv. Italica) myrosinase and isothiocyanates in broccoli juice during pressure/temperature treatments.

    PubMed

    Van Eylen, D; Oey, I; Hendrickx, M; Van Loey, A

    2007-03-21

    The Brassicaceae plant family contains high concentrations of glucosinolates, which can be hydrolyzed by myrosinase yielding products having an anticarcinogenic activity. The pressure and temperature stabilities of endogenous broccoli myrosinase, as well as of the synthetic isothiocyanates sulforaphane and phenylethyl isothiocyanate, were studied in broccoli juice on a kinetic basis. At atmospheric pressure, kinetics of thermal (45-60 degrees C) myrosinase inactivation could be described by a consecutive step model. In contrast, only one phase of myrosinase inactivation was observed at elevated pressure (100-600 MPa) combined with temperatures from 10 up to 60 degrees C, indicating inactivation according to first-order kinetics. An antagonistic effect of pressure (up to 200 MPa) on thermal inactivation (50 degrees C and above) of myrosinase was observed indicating that pressure retarded the thermal inactivation. The kinetic parameters of myrosinase inactivation were described as inactivation rate constants (k values), activation energy (Ea values), and activation volume (Va values). On the basis of the kinetic data, a mathematical model describing the pressure and temperature dependence of myrosinase inactivation rate constants was constructed. The stability of isothiocyanates was studied at atmospheric pressure in the temperature range from 60 to 90 degrees C and at elevated pressures in the combined pressure-temperature range from 600 to 800 MPa and from 30 to 60 degrees C. It was found that isothiocyanates were relatively thermolabile and pressure stable. The kinetics of HP/T isothiocyanate degradation could be adequately described by a first-order kinetic model. The obtained kinetic information can be used for process evaluation and optimization to increase the health effect of Brassicaceae. PMID:17305356

  7. Mechanistic kinetic modeling of the hydrocracking of complex feedstocks 

    E-print Network

    Kumar, Hans

    2009-05-15

    subclasses by distinguishing the isomers of a class according to the number of methyl branches. The kinetic model is plugged into an adiabatic multi-bed trickle flow reactor model. The model contains 33 feedstock and temperature independent parameters which...

  8. 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 [National EPSRC XPS User's Service (NEXUS), School of Mechanical and Systems Engineering, Newcastle University, Newcastle upon Tyne, NE1 7RU (United Kingdom)] [National EPSRC XPS User's Service (NEXUS), School of Mechanical and Systems Engineering, Newcastle University, Newcastle upon Tyne, NE1 7RU (United Kingdom)

    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.

  9. 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.

  10. Characterizing the LSI Yield Equation from Wafer Test Data

    Microsoft Academic Search

    Sharad C. Seth; Vishwani D. Agrawal

    1984-01-01

    The results of production test on LSI wafers are analyzed to determine the parameters of the yield equation. Recognizing that a physical defect on a chip can produce several logical faults, the number of faults per defect is assumed to be a random variable with Poisson distribution. The analysis provides a relationship between the yield of the tested fraction of

  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. Kinetics and advanced digester design for anaerobic digestion of water hyacinth and primary sludge

    SciTech Connect

    Chynoweth, D.P.; Dolenc, D.A.; Ghosh, S.; Henry, M.P.; Jerger, D.E.; Srivastava, V.J.

    1982-01-01

    A research program centered around a facility located at Walt Disney World (WDW) is in progress to evaluate the use of water hyacinth (WH) for secondary and tertiary wastewater treatment, to optimize growth of WH under these conditions, and to convert the resultant primary sludge (PS) and WH to methane via anaerobic digestion. This article describes the status of the biogasification component of this program, which includes baseline and advanced digestion experiments with individual feeds and blends and the design of an experimental test unit (ETU) to be installed at WDW. Experiments with several blends demonstrated that methane yields can be predicted from the fractional content and methane yield of each component. The process was found to adhere to the Monod kinetic model for microbial growth, and associated kinetic parameters were developed for various feed combinations. A novel upflow digester is achieving significantly higher conversion than a stirred-tank digester. Of several pretreatment techniques used, only alkaline treatment resulted in increased biodegradability. A larger scale (4.5 m/sup 3/) experimental test unit is being designed for installation at WDW in 1982. 13 figures, 4 tables.

  13. Exploring Kinetics of Phenol Biodegradation by Cupriavidus taiwanesis 187

    PubMed Central

    Wei, Yu-Hong; Chen, Wei-Chuan; Chang, Shan-Ming; Chen, Bor-Yann

    2010-01-01

    Phenol biodegradation in batch systems using Cupriavidus taiwanesis 187 has been experimentally studied. To determine the various parameters of a kinetic model, combinations of rearranged equations have been evaluated using inverse polynomial techniques for parameter estimation. The correlations between lag phase and phase concentration suggest that considering phenol inhibition in kinetic analysis is helpful for characterizing phenol degradation. This study proposes a novel method to determine multiplicity of steady states in continuous stirred tank reactors (CSTRs) in order to identify the most appropriate kinetics to characterize the dynamics of phenol biodegradation. PMID:21614192

  14. Kinetic modeling of ethane pyrolysis at high conversion.

    PubMed

    Xu, Chen; Al Shoaibi, Ahmed Sultan; Wang, Chenguang; Carstensen, Hans-Heinrich; Dean, Anthony M

    2011-09-29

    The primary objective of this study is to develop an improved first-principle-based mechanism that describes the molecular weight growth kinetics observed during ethane pyrolysis. A proper characterization of the kinetics of ethane pyrolysis is a prerequisite for any analysis of hydrocarbon pyrolysis and oxidation. Flow reactor experiments were performed with ~50/50 ethane/nitrogen mixtures with temperatures ranging from 550 to 850 °C at an absolute pressure of ~0.8 atm and a residence time of ~5 s. These conditions result in ethane conversions ranging from virtually no reaction to ~90%. Comparisons of predictions using our original mechanism to these data yielded very satisfactory results in terms of the temperature dependence of ethane conversion and prediction of the major products ethylene and hydrogen. However, there were discrepancies in some of the minor species concentrations that are involved in the molecular weight growth kinetics. We performed a series of CBS-QB3 analyses for the C(3)H(7), C(4)H(7), and C(4)H(9) potential energy surfaces to better characterize the radical addition reactions that lead to molecular weight growth. We also extended a published C(6)H(9) PES to include addition of vinyl to butadiene. The results were then used to calculate pressure-dependent rate constants for the multiple reaction pathways of these addition reactions. Inclusion of the unadjusted rate constants resulting from these analyses in the mechanism significantly improved the description of several of the species involved in molecular weight growth kinetics. We compare the predictions of this improved model to those obtained with a consensus model recently published as well as to ethane steam cracking data. We find that a particularly important reaction is that of vinyl addition to butadiene. Another important observation is that several radical addition reactions are partially equilibrated. Not only does this mean that reliable thermodynamic parameters are essential for an accurate model, but also that the reaction set describing molecular weight growth chemistry must include a final product that is sufficiently stable to shift the equilibrium toward this product despite the decrease in entropy that accompanies molecular weight growth. Another reaction, H addition to olefins, was found to inhibit molecular weight growth by leading to the production of a lower olefin plus methyl radicals. PMID:21848278

  15. Variational transition-state theory with optimized orientation of the dividing surface and semiclassical tunneling calculations for deuterium and muonium kinetic isotope effects in the free radical association reaction H + C{sub 2}H{sub 4} {yields} C{sub 2}H{sub 5}

    SciTech Connect

    Villa, J. [Univ. Autonoma de Barcelona (Spain)] [Univ. Autonoma de Barcelona (Spain); [Univ. of Minnesota, Minneapolis, MN (United States); [Inst. Municipal d`Investigacio Medica (Spain); Corchado, J.C. [Univ. of Minnesota, Minneapolis, MN (United States)] [Univ. of Minnesota, Minneapolis, MN (United States); [Univ. de Extremadura, Badajoz (Spain). Dept. de Quimica Fisica; Gonzalez-Lafont, A.; Lluch, J.M. [Univ. Autonoma de Barcelona (Spain)] [Univ. Autonoma de Barcelona (Spain); Truhlar, D.G. [Univ. of Minnesota, Minneapolis, MN (United States)] [Univ. of Minnesota, Minneapolis, MN (United States)

    1999-07-01

    The authors have used canonical variational transition-state theory with multidimensional tunneling contributions (CVT/MT) to calculate 21 kinetic isotope effects (KIE) for the addition of hydrogen atom to ethylene. The potential energies are obtained by variable scaling of external correlation (VSEC). The reorientation of the dividing surface (RODS) algorithm is employed so that the same reaction path can be used for every isotopic substitution. The results show the importance of the tunneling effect for explaining the trends in the KIEs in this almost barrierless reaction. The authors have predicted the regioselectivity for three different isotopically substituted substrates and have shown how the addition to the most substituted carbon is kinetically favored, especially at low temperature. However, their calculations show no cis/trans selectivity for the isotopically substituted ethylene substrate.

  16. Crop yield gaps in Cameroon.

    PubMed

    Yengoh, Genesis T; Ardö, Jonas

    2014-03-01

    Although food crop yields per hectare have generally been increasing in Cameroon since 1961, the food price crisis of 2008 and the ensuing social unrest and fatalities raised concerns about the country's ability to meet the food needs of its population. This study examines the country's potential for increasing crop yields and food production to meet this food security challenge. Fuzzy set theory is used to develop a biophysical spatial suitability model for different crops, which in turn is employed to ascertain whether crop production is carried out in biophysically suited areas. We use linear regression to examine the trend of yield development over the last half century. On the basis of yield data from experimental stations and farmers' fields we assess the yield gap for major food crops. We find that yields have generally been increasing over the last half century and that agricultural policies can have significant effects on them. To a large extent, food crops are cultivated in areas that are biophysically suited for their cultivation, meaning that the yield gap is not a problem of biophysical suitability. Notwithstanding, there are significantly large yield gaps between actual yields on farmers' farms and maximum attainable yields from research stations. We conclude that agronomy and policies are likely to be the reasons for these large yield gaps. A key challenge to be addressed in closing the yield gaps is that of replenishing and properly managing soil nutrients. PMID:23925855

  17. Adsorption of Phenol from Aqueous Solution by Hydroxyapatite Nanopowders. Part II: Kinetic, Equilibrium and Thermodynamic Studies

    Microsoft Academic Search

    Kaili Lin; Jiayong Pan; Yiwei Chen; Rongming Cheng; Xuecheng Xu

    2008-01-01

    In this study, the adsorption kinetic, equilibrium and thermodynamic parameters of phenol from aqueous solutions by nano-size hydroxyapatite (n-HAp) powders were investigated at various temperatures and concentrations. The first-order kinetic model, pseudo-second-order kinetic model and intraparticle diffusion model were used to describe the kinetic data, and the data constants were evaluated. The results showed that the pseudo-second-order model was the

  18. Beyond Thermodynamics: Drug Binding Kinetics Could Influence Epidermal Growth Factor Signaling

    PubMed Central

    Goyal, Mayank; Rizzo, Michael; Schumacher, Frank; Wong, Chung F.

    2009-01-01

    We modeled the kinetics of drug binding to protein kinases in the EGF signaling pathway relevant to non-small cell lung cancer and found that binding kinetics could influence therapeutic potential, that fast binding kinetics was advantageous for most targets with a couple of exceptions, that targeting some protein kinases could enhance rather than attenuate the pathway, and that IC50 could be sensitive to the kinetic parameters of drug binding. PMID:19702309

  19. Compilation and Analysis of Intermediate-and High-energy Photon and Electron Induced Spallation Yields

    Microsoft Academic Search

    G. G. Jonsson; K. Lindgren

    1973-01-01

    Available intermediate-and high-energy photon and electron induced spallation yields have been compiled and analysed with the five-parameter formulae given by Rudstam. The mass and energy dependence of the parameters are discussed. With appropriate parameters the CDMD-formula is then used to estimate spallation yields and cross sections.

  20. The effect of cell line, phylogenetics and medium on baculovirus budded virus yield and quality.

    PubMed

    Matindoost, Leila; Hu, Hao; Chan, Leslie C L; Nielsen, Lars K; Reid, Steven

    2014-01-01

    The performance of bioprocesses involving baculoviruses largely depends on an efficient infection of cells by concentrated budded virus (BV) inoculums. Baculovirus expression vector systems have been established using Autographa californica nucleopolyhedrovirus (AcMNPV), a group I NPV that displays rapid virus kinetics, whereas bioprocesses using group II baculovirus-based biopesticides such as Helicoverpa armigera nucleopolyhedrovirus (HearNPV) have the limitation of low levels of BV, as these viruses often display poor BV production kinetics. In this study, the effect of key parameters involved in the quality of progeny virions, including cell line, virus phylogenetics and medium, on viral DNA replication, virus trafficking to the extracellular environment, and the yield of recombinant protein or polyhedra were investigated in synchronous infections of HearNPV and AcMNPV. HearNPV showed higher vDNA replication in its optimum medium, SF900III, when compared to AcMNPV, but both viruses had similar specific extracellular virion content. However, the ratio of AcMNPV extracellular virions to the total number of progeny virions produced was higher, and their quality was tenfold higher than that of HearNPV extracellular virions. The results of infection of two different cell lines, High Five and Sf9, with AcMNPV, along with HearNPV infection of HzAM1 cells in three different media, suggest that the host cells and the nutritional state of the medium as well as the phylogenetics of the virus affect the BV yields produced by different baculovirus/cell line/medium combinations. PMID:23884632

  1. Kinetic tiles: modular construction units for interactive kinetic surfaces

    Microsoft Academic Search

    Hyunjung Kim; Woohun Lee

    2010-01-01

    We propose and demonstrate Kinetic Tiles, modular con-struction units for Interactive Kinetic Surfaces (IKSs). We aimed to design Kinetic Tiles to be accessible and available so that users can construct IKSs easily and rapidly. The components of Kinetic Tiles are inexpensive and easily available. In addition, the use of magnetic force enables the separation of the surface material and actuators

  2. 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. (Albert Einstein College of Medicine, Bronx, NY (USA))

    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.

  3. Coherency Strain and the Kinetics of Phase Separation in LiFePO [subscript 4

    E-print Network

    Cogswell, Daniel A.

    A theoretical investigation of the effects of elastic coherency strain on the thermodynamics, kinetics, and morphology of intercalation in single LiFePO4 nanoparticles yields new insights into this important battery material. ...

  4. Autotrophic perchlorate reduction kinetics of a microbial consortium using elemental sulfur as an electron donor.

    PubMed

    Gao, Mengchun; Wang, Sen; Jin, Chunji; She, Zonglian; Zhao, Congcong; Zhao, Yangguo; Zhang, Jian; Ren, Yun

    2015-07-01

    The perchlorate reduction kinetic parameters of a microbial consortium using elemental sulfur (S(0)) as an electron donor were investigated in batch experiments. Standard Monod substrate utilization and biomass accumulation models were employed to fit the experimental data for microbial perchlorate reduction. The maximum observed yield coefficient for the microbial consortium was 0.19 mg dry weight (DW)?mg(-1) ClO4 (-), suggesting that the microbial consortium had a slow growth rate using S(0) as the electron donor. The maximum specific substrate utilization rate (q max) and half saturation constant (K s ) for microbial perchlorate reduction were 0.14 mg ClO4 (-)?mg(-1) DW day(-1) and 5.71 mg L(-1), respectively, which indicated that the microbial consortium could effectively utilize perchlorate as an electron acceptor. The variation of q max with pH was described well by using a Gaussian peak equation, and the maximal value of q max was obtained at pH 6.7. The presence of nitrate in perchlorate-contaminated water delayed the onset of sulfur autotrophic perchlorate reduction. The modified Gompertz equation could adequately describe the formation of Cl(-) and SO4 (2-) during the process of sulfur autotrophic perchlorate reduction. The SO4 (2-) production exceeded the theoretical SO4 (2-) production due to S(0) disproportionation. The kinetic parameters for microbial perchlorate reduction are essential to design biological treatment systems, as well as to predict and evaluate their performance. PMID:25631742

  5. Dynamic kinetic resolution.

    PubMed

    Gihani, M T; Williams, J M

    1999-02-01

    The use of transition-metal-enzyme combinations to effect tandem in situ racemisation and resolutions has extended the scope of dynamic kinetic resolutions. This methodology has signalled a more proactive stance to the racemisation process, which has traditionally relied on more fortuitous approaches, namely the exploitation of labile substrates. The development and application of specific racemising enzymes such as mandelate racemase offers potential for future multienzyme dynamic kinetic resolutions. PMID:10021402

  6. Caged Naloxone Reveals Opioid Signaling Deactivation Kinetics

    PubMed Central

    Banghart, Matthew R.; Shah, Ruchir C.; Lavis, Luke D.

    2013-01-01

    The spatiotemporal dynamics of opioid signaling in the brain remain poorly defined. Photoactivatable opioid ligands provide a means to quantitatively measure these dynamics and their underlying mechanisms in brain tissue. Although activation kinetics can be assessed using caged agonists, deactivation kinetics are obscured by slow clearance of agonist in tissue. To reveal deactivation kinetics of opioid signaling we developed a caged competitive antagonist that can be quickly photoreleased in sufficient concentrations to render agonist dissociation effectively irreversible. Carboxynitroveratryl-naloxone (CNV-NLX), a caged analog of the competitive opioid antagonist NLX, was readily synthesized from commercially available NLX in good yield and found to be devoid of antagonist activity at heterologously expressed opioid receptors. Photolysis in slices of rat locus coeruleus produced a rapid inhibition of the ionic currents evoked by multiple agonists of the ?-opioid receptor (MOR), but not of ?-adrenergic receptors, which activate the same pool of ion channels. Using the high-affinity peptide agonist dermorphin, we established conditions under which light-driven deactivation rates are independent of agonist concentration and thus intrinsic to the agonist-receptor complex. Under these conditions, some MOR agonists yielded deactivation rates that are limited by G protein signaling, whereas others appeared limited by agonist dissociation. Therefore, the choice of agonist determines which feature of receptor signaling is unmasked by CNV-NLX photolysis. PMID:23960100

  7. 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., E-mail: lolga1@rambler.ru; Lysova, O. A.; Tolstikhina, A. L.; Fridkin, V. M.; Yudin, S. G. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)] [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Ducharme, S. [University of Nebraska, Department of Physics and Astronomy, Nebraska Center for Materials and Nanoscience (United States)] [University of Nebraska, Department of Physics and Astronomy, Nebraska Center for Materials and Nanoscience (United States)

    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.

  8. Generalised yield criteria of porous sintered powder metallurgy metals

    Microsoft Academic Search

    R. Narayanasamy; R. Ponalagusamy; K. R. Subramanian

    2001-01-01

    A new form of yield criterion considering an anisotropic parameter for porous sintered powder metallurgy metals has been proposed in this technical paper. In addition to the above, the flow rule with anisotropic parameter for porous metal is introduced. The mathematical expression for the calculation of flow stress in the case of simple compression or tension test is deduced from

  9. Nanoparticle aggregation controlled by desalting kinetics

    E-print Network

    J. Fresnais; C. Lavelle; J. -F. Berret

    2010-02-10

    We report the formation of stable nanoparticle-polymer clusters obtained by electrostatic complexation. The nanoparticles placed under scrutiny are nanoceria (CeO2) coated by short poly(acrylic acid) moieties, whereas the polymers are cationic-neutral block copolymers. The cluster formation was monitored using different formulation pathways, including direct mixing, dialysis, dilution and quenching. In the first process, the hybrids were obtained by mixing stock solutions of polymers and nanoparticles. Dialysis and dilution were based on controlled desalting kinetics according to methods developed in molecular biology. The fourth process consisted in a rapid dilution of the salted dispersions and as such it was regarded as a quench of the cluster kinetics. We have found that one key parameter that controls the kinetics of formation of electrostatic clusters is the rate dIS/dt at which the salt is removed from the solution, where IS denotes the ionic strength. With decreasing IS, the electrostatically screened polymers and nanoparticles system undergo an abrupt transition between an unassociated and a clustered state. By tuning the desalting kinetics, the size of the clusters was varied from 100 nm to over 1 micrometer. At low ionic strength, the clusters were found to be kinetically frozen. It is proposed that the onset of aggregation is driven by the desorption-adsorption transition of the polymers onto the surfaces of the particles.

  10. 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

  11. Kinetic phase transitions in a surface-reaction model: Mean-field theory

    Microsoft Academic Search

    Ronald Dickman

    1986-01-01

    A kinetic model for irreversible surface reactions, recently proposed by Ziff, Gulari, and Barshad, is studied in the site and pair approximations. The latter approach predicts the phase diagram correctly, and yields quantitative predictions which are in very close agreement with simulation, in the vicinity of the first-order kinetic transition.

  12. Highly enantioselective kinetic resolution of axially chiral BINAM derivatives catalyzed by a Brønsted acid.

    PubMed

    Cheng, Dao-Juan; Yan, Liang; Tian, Shi-Kai; Wu, Ming-Yue; Wang, Lu-Xin; Fan, Zi-Li; Zheng, Sheng-Cai; Liu, Xin-Yuan; Tan, Bin

    2014-04-01

    A highly efficient strategy for the kinetic resolution of axially chiral BINAM derivatives involving a chiral Brønsted acid-catalyzed imine formation and transfer hydrogenation cascade process was developed. The kinetic resolution provides a convenient route to chiral BINAM derivatives in high yields with excellent enantioselectivities. PMID:24591330

  13. 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 8wt.% of fat) at constant molar ratio (fat:methanol); 1:6, and ultrasonic cycle; 5Hz. 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, 20min (30 times less than conventional batch processes); ultrasonic amplitude 40% at 5Hz. 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 20min 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

  14. Ginzburg-Landau theory of the bcc-liquid interface kinetic coefficient

    E-print Network

    Kuo-An Wu; Ching-Hao Wang; Jeffrey J. Hoyt; Alain Karma

    2014-10-25

    We extend the Ginzburg-Landau (GL) theory of atomically rough bcc-liquid interfaces [Wu {\\it et al.}, Phys. Rev. B \\textbf{73}, 094101 (2006)] outside of equilibrium. We use this extension to derive an analytical expression for the kinetic coefficient, which is the proportionality constant $\\mu(\\hat n)$ between the interface velocity along a direction $\\hat n$ normal to the interface and the interface undercooling. The kinetic coefficient is expressed as a spatial integral along the normal direction of a sum of gradient square terms corresponding to different nonlinear density wave profiles. Anisotropy arises naturally from the dependence of those profiles on the angles between the principal reciprocal lattice vectors $\\vec K_i$ and $\\hat n$. Values of the kinetic coefficient for the$(100)$, $(110)$ and $(111)$ interfaces are compared quantitatively to the prediction of linear Mikheev-Chernov (MC) theory [J. Cryst. Growth \\textbf{112}, 591 (1991)] and previous molecular dynamics (MD) simulation studies of crystallization kinetics for a classical model of Fe. Additional MD simulations are carried out here to compute the relaxation time of density waves in the liquid in order to make this comparison free of fit parameter. The GL theory predicts a similar expression for $\\mu$ as the MC theory but yields a better agreement with MD simulations for both its magnitude and anisotropy due to a fully nonlinear description of density wave profiles across the solid-liquid interface. GL theory is also used to derive an inverse relation between $\\mu$ and the solid-liquid interfacial free-energy. The general methodology used here to derive an expression for $\\mu(\\hat n)$ also applies to amplitude equations derived from the phase-field-crystal model, which only differ from GL theory by the choice of cubic and higher order nonlinearities in the free-energy density.

  15. POLARIZATION AND COMPRESSIBILITY OF OBLIQUE KINETIC ALFVEN WAVES

    SciTech Connect

    Hunana, P.; Goldstein, M. L. [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)] [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Passot, T.; Sulem, P. L.; Laveder, D. [Laboratoire J. L. Lagrange, Universite de Nice Sophia Antipolis, CNRS, Observatoire de la Cote d'Azur, BP 4229, F-06304 Nice Cedex 4 (France)] [Laboratoire J. L. Lagrange, Universite de Nice Sophia Antipolis, CNRS, Observatoire de la Cote d'Azur, BP 4229, F-06304 Nice Cedex 4 (France); Zank, G. P. [Center for Space Plasma and Aeronomic Research (CSPAR), University of Alabama in Huntsville, Huntsville, AL 35805 (United States)] [Center for Space Plasma and Aeronomic Research (CSPAR), University of Alabama in Huntsville, Huntsville, AL 35805 (United States)

    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.

  16. Kinetics of uncatalyzed thermochemical sulfate reduction by sulfur-free paraffin

    NASA Astrophysics Data System (ADS)

    Zhang, Tongwei; Ellis, Geoffrey S.; Ma, Qisheng; Amrani, Alon; Tang, Yongchun

    2012-11-01

    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 HSO4- 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.

  17. Cosmological Parameters

    E-print Network

    Charles H. Lineweaver

    2001-12-17

    This article briefly summarizes the increasingly precise observational estimates of the cosmological parameters. After three years on the stump, the Lambda-CDM model is still the leading candidate. Although the Universe is expanding, our picture of it is coming together.

  18. Sensitivity, robustness, and identifiability in stochastic chemical kinetics models

    E-print Network

    Millar, Andrew J.

    Sensitivity, robustness, and identifiability in stochastic chemical kinetics models Michal' performances is sensitivity analysis (2). Large sensitivity to a parameter suggests that the system's output in an insensitive parameter will have little effect on the behavior. Traditionally, the concept of sensitivity has

  19. Cellulosic Insulation Material I. Overall Degradation Kinetics and Reaction Heats

    Microsoft Academic Search

    F. E. ROGERS; T. J. OHLEMILLER

    1980-01-01

    Kinetic studies on the thermal and oxidative decomposition of untreated cellulosic insulation have been carried out with thermal analytical techniques (TGA and DSC) to provide input parameters for smoldering studies of this material. In dry nitrogen, the weight loss proceeds in one overall step that follows a diffusion-controlled rate law with parameters: A = 1.1 × 10 min and E

  20. Kinetic study of biological hydrogen production by anaerobic fermentation

    Microsoft Academic Search

    Wen-Hsing Chen; Shen-Yi Chen; Samir Kumar Khanal; Shihwu Sung

    2006-01-01

    The growth kinetics of hydrogen producing bacteria using three different substrates, namely sucrose, non-fat dry milk (NFDM), and food waste were investigated in dark fermentation through a series of batch experiments. The results showed that hydrogen production potential and hydrogen production rate increased with an increasing substrate concentration. The maximum hydrogen yields from sucrose, NFDM, and food waste were 234,

  1. 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...

  2. Improving photosynthesis and yield potential

    Microsoft Academic Search

    Jeffrey S. Amthor

    Crop yield is fundamentally related to the (a) amount of solar radiation absorbed; (b) efficiency of solar energy use in photosynthesis;\\u000a (c) translocation of photosynthate to sinks, especially sinks later harvested; (d) capacity for growth in sinks; (e) efficiency\\u000a of converting photosynthate to new biomass; and (f) metabolic cost of maintenance. Yield potential has been defined as the yield of

  3. 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.

  4. Kinetic Theory of Coupled Oscillators

    PubMed Central

    Hildebrand, Eric J.; Buice, Michael A.; Chow, Carson C.

    2008-01-01

    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 Bogoliubov-Born-Green-Kirkwood-Yvon 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. PMID:17358861

  5. Improved Electron Yield and Spin-Polarizaton from III-V Photocathodes Via Bias Enhanced Carrier Drift

    SciTech Connect

    Mulhollan, Gregory A.; Bierman, John; /Saxet Surface Sci.; Brachmann, Axel; Clendenin, James E.; Garwin, Edward; Kirby, Robert; Luh, Dah-An; Maruyama, Takashi; /SLAC; 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.

  6. Fractal Reaction Kinetics

    NASA Astrophysics Data System (ADS)

    Kopelman, Raoul

    1988-09-01

    Classical reaction kinetics has been found to be unsatisfactory when the reactants are spatially constrained on the microscopic level by either walls, phase boundaries, or force fields. Recently discovered theories of heterogeneous reaction kinetics have dramatic consequences, such as fractal orders for elementary reactions, self-ordering and self-unmixing of reactants, and rate coefficients with temporal ``memories.'' The new theories were needed to explain the results of experiments and supercomputer simulations of reactions that were confined to low dimensions or fractal dimensions or both. Among the practical examples of ``fractal-like kinetics'' are chemical reactions in pores of membranes, excitation trapping in molecular aggregates, exciton fusion in composite materials, and charge recombination in colloids and clouds. Diffusion-controlled reactions with geometrical constraints, as found in heterogeneous kinetics, may be described by reactions on fractal domains. The hallmarks of ``fractal-like'' reactions are anomalous reaction orders and time-dependent reaction rate ``constants.'' These anomalies stem from the nonrandomness of the reactant distributions in low dimensions. For homo-bimolecular reactions (A + A --> Pr) the distribution is partially ordered, for example, quasi-periodic. However, for hetero-bimolecular reactions (A + B --> Pr) the reactants segregate. Theory, simulations, and experiments are interrelated through the formalism of fractal reaction kinetics (42).

  7. Kinetics of thermochemical pretreatment of lignocellulosic materials

    Microsoft Academic Search

    A. O. Converse; I. K. Kwarteng; H. E. Grethlein; H. Ooshima

    1989-01-01

    The results of an experimental study of the acid hydrolysis of hardwood are presented in the form of values for the three\\u000a parameters, activation energy, power on the acid concentration, and pre-exponen-tial factor, of the first order kinetic constants\\u000a for each of the following reaction participants: xylan remaining, glucan remaining, xylose formed, and xylose decomposed.\\u000a These are used as a

  8. Effect of human and bovine serum albumin on kinetic chemiluminescence of Mn (III)-Tetrakis (4-sulfonatophenyl) porphyrin-luminol-hydrogen peroxide system.

    PubMed

    Kazemi, Sayed Yahya; Abedirad, Seyed Mohammad

    2012-01-01

    The present work deals with an attempt to study the effect of human and bovine serum albumin on kinetic parameters of chemiluminescence of luminol-hydrogen peroxide system catalyzed by manganese tetrasulfonatophenyl porphyrin (MnTSPP). The investigated parameters involved pseudo-first-order rise and fall rate constant for the chemiluminescence burst, maximum level intensity, time to reach maximum intensity, total light yield, and values of the intensity at maximum CL which were evaluated by nonlinear least square program KINFIT. Because of interaction of metalloporphyrin with proteins, the CL parameters are drastically affected. The systems resulted in Stern-Volmer plots with k(Q) values of 3.17 × 10(5) and 3.7 × 10(5) M(-1) in the quencher concentration range of 1.5 × 10(-6) to 1.5 × 10(-5) M for human serum albumin (HSA) and bovine serum albumin (BSA), respectively. PMID:22645466

  9. KINEMATIC AND KINETIC PARAMETERS OF HEALTHY ELDERLY PEOPLE

    Microsoft Academic Search

    Róbert PARÓCZAI; Zoltán BEJEK; Árpád ILLYÉS

    2005-01-01

    Walking is one of the most common human movements. It is to transport the body safely and efficiently across ground level, uphill or downhill. Walking is learned during the first year of life and reaches maturity around theage of7 and remains at thesame level until60. In the elderlyage walking performance starts to decline and it slows down gradually. With the

  10. Kinetic parameters of uracil dosimeter in simulated extraterrestrial UV radiation

    Microsoft Academic Search

    G. Kovács; P. Gróf; A. Bérces; M. R. Patel; H. Lammer; Gy. Rontó

    2004-01-01

    Studies of the solar UV environment on Earth 2.0 Gyr to 3.8 Gyr ago suggest that the terrestrial atmosphere was essentially anoxic, resulting in an ozone column abundance insufficient for protecting the planetary surface in the UV-B (280 nm - 315 nm) and the UV-C (200 nm - 280 nm) ranges. Since, short wavelength solar UV radiation in the UV-B

  11. Kinetic Parameters of Binary Iron\\/Oxidant Pyrolants

    Microsoft Academic Search

    Mojtaba Shamsipur; Seied Mahdi Pourmortazavi; Manochehr Fathollahi

    2012-01-01

    The thermal properties of pyrotechnic mixtures containing iron powder as fuel and KNO3, KClO3, and KClO4 as oxidants are reported. The thermogravimetry–differential thermal analysis results for pure components and corresponding pyrotechnic mixtures revealed that the melting point, decomposition temperature, and rate of oxygen releasing of the oxidants have dominant effects on ignition reaction of the pyrotechnic mixtures. The apparent activation

  12. Kinetic Parameters of Polymer Degradation by SAPO-37

    Microsoft Academic Search

    V. J. Fernandes Jr; A. S. Araujo; G. J. T. Fernandes; J. R. Matos; M. Ionashiro

    2001-01-01

    High density poly(ethylene) has been submitted to thermal degradation alone, and in the presence of silicoaluminophosphate\\u000a SAPO-37. The processes were carried out in a reactor connected on line to a gas chromatograph\\/mass spectrometer in order to\\u000a analyze the evolved products. Polymer degradation was also evaluated by thermogravimetry, from room temperature until 800°C,\\u000a under nitrogen dynamic atmosphere, with multiple heating rates.

  13. Kinetic Parameters of Polyethylene Degradation by the Natural Zeolite Chabazite

    Microsoft Academic Search

    V. J. Fernandes; A. S. Araujo; R. A. Medeiros; J. R. Matos; L. P. Mercuri; A. O. Silva; D. M. A. Melo

    1999-01-01

    High-density polyethylene (PE) was subjected to thermal degradation alone and in the presence of an ammonium-exchanged zeolite\\u000a chabazite (CHA\\/PE). The processes were carried out in a reactor connected online to a gas chromatograph\\/mass spectrometer\\u000a in order to analyse the evolved products. Polymer degradation was also evaluated by thermogravimetry, from room temperature\\u000a up to 800°C, under a dynamic nitrogen atmosphere, with

  14. 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.

  15. Fractal reaction kinetics.

    PubMed

    Kopelman, R

    1988-09-23

    Classical reaction kinetics has been found to be unsatisfactory when the reactants are spatially constrained on the microscopic level by either walls, phase boundaries, or force fields. Recently discovered theories of heterogeneous reaction kinetics have dramatic consequences, such as fractal orders for elementary reactions, self-ordering and self-unmixing of reactants, and rate coefficients with temporal "memories." The new theories were needed to explain the results of experiments and supercomputer simulations of reactions that were confined to low dimensions or fractal dimensions or both. Among the practical examples of "fractal-like kinetics" are chemical reactions in pores of membranes, excitation trapping in molecular aggregates, exciton fusion in composite materials, and charge recombination in colloids and clouds. PMID:17820893

  16. Kinetically Driven Quintessence

    E-print Network

    Takeshi Chiba; Takahiro Okabe; Masahide Yamaguchi

    2000-01-29

    Recently, a novel class of models for inflation has been found in which the inflationary dynamics is driven solely by (non-canonical) kinetic terms rather than by potential terms. As an obvious extension, we show that a scalar field with non-canonical kinetic terms alone behaves like an energy component which is time-varying and has negative pressure presently, i.e. quintessence. We present a model which has a constant equation of state, that is, a ``kinetic'' counterpart of the Ratra-Peebles model of a quintessence field with a potential term. We make clear the structure of the phase plane and show that the quintessential solution is a late-time attractor. We also give a model for the ``phantom'' component which has an equation of state with $w=p/\\rho <-1$.

  17. Steady-state and stopped-flow kinetic measurements of the primary deuterium isotope effect in the reaction catalyzed by p-cresol methylhydroxylase

    SciTech Connect

    McIntire, W.S.; Hopper, D.J.; Singer, T.P.

    1987-06-30

    Steady-state kinetic studies for the reaction of the flavocytochrome p-cresol methylhydroxylase with the reducing substrates (S) p-cresol, 4-ethylphenol, and their corresponding ..cap alpha..-deuterated analogues are presented. The results from these experiments and those from studies involving various reoxidizing substrates support the proposed apparent ping-pong mechanism. With phenazine methosulfate (PMS) as the reoxidant for studies at pH 7.6 and 6 or 25 /sup 0/C, the isotope effects on k/sub cat/ are lower than the intrinsic isotope effect. The values for /sup D/(k/sub cat//K/sub S/) are equal to the intrinsic effect for p-cresol at 25 /sup 0/C and for 4-ethylphenol at both 6 and 25 /sup 0/C. However, the value for this steady-state parameter at 6 /sup 0/C for p-cresol is lower than the intrinsic effect. The values for /sup D/(k/sub cat//K/sub PMS/) are nearly equal to 1.0 under all conditions. In contrast, the steady-state kinetic analysis for the isolated flavoprotein subunit of p-cresol methylhydroxylase involving p-cresol and PMS as substrates indicates that a random-binding mechanism is operating. Additionally, several of the steady-state parameters yield values for the apparent intrinsic isotope effect for the flavoprotein. The results of stopped-flow kinetic studies are also reported. At pH 7.6 the intrinsic isotope effect (/sup D/k/sub 2/) for the reduction of the enzyme by 4-ethylphenol is 4.8-5.0 at 25 /sup 0/C and 4.0 at 6 /sup 0/C. This technique yields a value for /sup D/k/sub 2/ of 7.05 at 6 /sup 0/C and pH 7.6 for p-cresol. The combined results from the stopped-flow and steady-state kinetic experiments at pH 7.6 and 6 /sup 0/C for p-cresol also allow the calculation of several important kinetic parameters for this enzyme. These calculations are viewed with caution, since some discrepancies develop when a comparison of the data from the two kinetic methods is made for both p-cresol and 4-ethylphenol.

  18. Rx for low cash yields.

    PubMed

    Tobe, Chris

    2003-10-01

    Certain strategies can offer not-for-profit hospitals potentially greater investment yields while maintaining stability and principal safety. Treasury inflation-indexed securities can offer good returns, low volatility, and inflation protection. "Enhanced cash" strategies offer liquidity and help to preserve capital. Stable value "wrappers" allow hospitals to pursue higher-yielding fixed-income securities without an increase in volatility. PMID:14560584

  19. Kinetic Characteristics of Anaerobic Ammonium Oxidation, Methanogensis and Denitrification

    Microsoft Academic Search

    Bo Zu; Xiangchao Liu; Daijun Zhang; Qingwei Yang

    2011-01-01

    The kinetic characteristics of anaerobic ammonium oxidation, methanogenesis and denitrification inoculated with the granular sludge from EGSB reactor, in which they were integrated, were investigated by batch experiment,respectively. For anaerobic ammonium oxidation ,the kinetic parameters :the maximum NH + 4-N (mg\\/MLSS.h) reaction rate was 6.65×10 -3 mg\\/mg.h, the NH + 4-N half saturate coefficient were 87.1 mg \\/L and the

  20. 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.

  1. Sloppy systems biology: tight predictions with loose parameters

    Microsoft Academic Search

    James Sethna; Ryan Gutenkunst; Joshua Waterfall; Fergal Casey; Kevin Brown; Christopher Myers

    2007-01-01

    Directly measuring the parameters involved in dynamical models of cellular processes is typically very difficult, and collectively fitting such parameters to other data often yields large parameter uncertainties. Nonetheless, a collective fit which only weakly constrains model parameters may strongly constrain model predictions, if the model is ill-conditioned: much more sensitive to some directions in parameter space than others. In

  2. Phase-ordering kinetics of cemetery organization in ants

    NASA Astrophysics Data System (ADS)

    Bonabeau, Eric; Theraulaz, Guy; Fourcassié, Vincent; Deneubourg, Jean-Louis

    1998-04-01

    The clustering of dead bodies by ants is simulated, using a cellular automaton model, the rules of which are carefully derived from experiments. Starting from a random spatial distribution of corpses, a cemetery organizes itself into clusters of corpses. The dynamics of clustering can be compared to the phase-ordering kinetics of a bidimensional idealized magnetic system with a scalar conserved order parameter. In particular, scaling relations are found for the structure factor and the dynamics of cluster growth, which can be compared with those predicted by the theory of phase-ordering kinetics. Observed exponents are consistent with those expected in early stage phase-ordering kinetics.

  3. Yield conditions for deformation of amorphous polymer glasses

    NASA Astrophysics Data System (ADS)

    Rottler, Jörg; Robbins, Mark O.

    2001-11-01

    Shear yielding of glassy polymers is usually described in terms of the pressure-dependent Tresca or von Mises yield criteria. We test these criteria against molecular dynamics simulations of deformation in amorphous polymer glasses under triaxial loading conditions that are difficult to realize in experiments. Difficulties and ambiguities in extending several standard definitions of the yield point to triaxial loads are described. Two definitions, the maximum and offset octahedral stresses, are then used to evaluate the yield stress for a wide range of model parameters. In all cases, the onset of shear is consistent with the pressure-modified von Mises criterion, and the pressure coefficient is nearly independent of many parameters. Under triaxial tensile loading, the mode of failure changes to cavitation, and the von Mises criterion no longer applies.

  4. Kinetic Studies on the Reaction of Sulfinic Acids with Conjugated Alkenes: IV. Kinetics of the Addition of Arenesulfinic Acids to 2-nitro-1-phenyl-1-phenylsulfonylethene

    Microsoft Academic Search

    S. Ivanova; D. I. Aleksiev

    2002-01-01

    The addition of unsubstituted and substituted benzenesulfinic acids to 2-nitro-1-phenyl-1-phenylsulfonylethene was studied kinetically by means of LC. The reaction follows the second-order kinetics: v = k[2-nitro-1-phenyl-1-phenylsulfonylethene] ·; [sulfinic acid]. The dependance of the rate constants on the temperature, and the influence of the p-substituents on the kinetic parameters were studied. The activation energy and the enthalpy of activation were calculated

  5. Kinetic Studies on the Reaction of Sulfinic Acids with Conjugated Alkenes, V: Kinetics of the Addition of Arenesulfinic Acids to 1Aryl1-arylsulfonyl2-nitroethenes

    Microsoft Academic Search

    S. Ivanova; D. I. Aleksiev

    2006-01-01

    The addition of unsubstituted and substituted benzenesulfinic acids to 1-aryl-1-arylsulfonyl-2-nitroethenes has been studied kinetically by means of LC. The rection follows the second-order kinetics v = k [1-aryl-1-arylsulfonyl-2-nitroethene].[sulfinic acid]. The dependence of rate constants on the temperature and the influence of p-substituents on the kinetic parameters have been investigated. The activation energy and the enthalpy of the activation are calculated

  6. Nucleosynthesis Yields of Core-Collapse Supernovae and Hypernovae, and Galactic Chemical Evolution

    E-print Network

    Ken'ichi Nomoto; Nozomu Tominaga; Hideyuki Umeda; Chiaki Kobayashi; Keiichi Maeda

    2006-05-30

    We present new nucleosynthesis yields as functions of the stellar mass, metallicity, and explosion energy (corresponding to normal supernovae and Hypernovae). We apply the results to the chemical evolution of the solar neighborhood. Our new yields are based on the new developments in the observational/theoretical studies of supernovae (SNe) and extremely metal-poor (EMP) stars in the halo, which have provided excellent opportunities to test the explosion models and their nucleosynthesis. We use the light curve and spectra fitting of individual SN to estimate the mass of the progenitor, explosion energy, and produced 56Ni mass. Comparison with the abundance patterns of EMP stars has made it possible to determine the model parameters of core-collapse SNe, such as mixing-fallback parameters. More specifically, we take into account the two distinct new classes of massive SNe: 1) very energetic Hypernovae, whose kinetic energy (KE) is more than 10 times the KE of normal core-collapse SNe, and 2) very faint and low energy SNe (Faint SNe). These two new classes of SNe are likely to be ``black-hole-forming'' SNe with rotating or non-rotating black holes. Nucleosynthesis in Hypernovae is characterized by larger abundance ratios (Zn,Co,V,Ti)/Fe and smaller (Mn,Cr)/Fe than normal SNe, which can explain the observed trends of these ratios in EMP stars. Nucleosynthesis in Faint SNe is characterized by a large amount of fall-back, which explains the abundance pattern of the most Fe-poor stars. These comparisons suggest that black-hole-forming SNe made important contributions to the early Galactic (and cosmic) chemical evolution.

  7. Can yeast glycolysis be understood in terms of in vitro kinetics of the constituent enzymes? Testing biochemistry

    Microsoft Academic Search

    Bas Teusink; Jutta Passarge; Corinne A. Reijenga; Eugenia Esgalhado; Coen C. van der Weijden; Mike Schepper; Michael C. Walsh; Barbara M. Bakker; Karel van Dam; Hans V. Westerhoff; Jacky L. Snoep

    2000-01-01

    This paper examines whether the in vivo behavior of yeast glycolysis can be understood in terms of the in vitro kinetic properties of the constituent enzymes. In nongrowing, anaerobic, compressed Saccharomyces cerevisiae the values of the kinetic parameters of most glycolytic enzymes were determined. For the other enzymes appropriate literature values were collected. By inserting these values into a kinetic

  8. A kinetic study of the isothermal degradation process of Lexan® using the conventional and Weibull kinetic analysis

    Microsoft Academic Search

    Bojan Jankovi?

    2009-01-01

    The degradation process of commercial grade Lexan® was investigated by thermogravimetric technique under isothermal experimental\\u000a conditions at four different operating temperatures: 375 °C, 387.5 °C, 400 °C and 425 °C. The kinetic triplet (E\\u000a \\u000a a\\u000a , A, f(?)) was determined using conventional and Weibull kinetic analysis. The applied kinetic procedure shows that the investigated\\u000a degradation process can be described by two-parameter autocatalytic Šesták–Berggren (SB)

  9. Optimization of exopolysaccharide yields in sourdoughs fermented by lactobacilli

    Microsoft Academic Search

    Susanne Kaditzky; Rudi F. Vogel

    2008-01-01

    In this study, the yields of exopolysaccharides (EPS) produced in situ during sourdough fermentations with Lactobacillus reuteri TMW 1.106 synthesizing glucan from sucrose were investigated under variation of the fermentation parameters dough yield (DY),\\u000a pH, sucrose content and fermentation substrate. The obtained amounts of EPS after 1 day of fermentation were higher in softer\\u000a (DY 500) than in firmer (DY 220)

  10. Kinetics of coal gasification

    Microsoft Academic Search

    Martin Schmal; Jose Luiz Fontes Monteiro; Jorge Luiz Castellan

    1982-01-01

    This work reports on a kinetic study on the gasification of Brazilian mineral coal with steam using a thermobalance. The coal is a high ash content (>50 wt %) subbituminous, run of mine coal (Charqueadas). Isothermal runs were made at temperatures between 800 and 1000\\/degree\\/C and at atmospheric pressure, using -14 +20 mesh Tyler size particles. The coal was devolatilized

  11. Kinetics of leaching laterite

    Microsoft Academic Search

    E. O Olanipekun

    2000-01-01

    The kinetics of leaching laterite with hydrochloric acid has been investigated at dilute solid phase concentrations in a magnetically stirred reactor. The effects of hydrochloric acid concentration and temperature on the dissolution rate of iron are reported. Preroasting of the laterite alters its mineralogical composition and increases its porosity and surface area, thus making it more amenable to leaching. The

  12. Decomposing global crop yield variability

    NASA Astrophysics Data System (ADS)

    Ben-Ari, Tamara; Makowski, David

    2014-11-01

    Recent food crises have highlighted the need to better understand the between-year variability of agricultural production. Although increasing future production seems necessary, the globalization of commodity markets suggests that the food system would also benefit from enhanced supplies stability through a reduction in the year-to-year variability. Here, we develop an analytical expression decomposing global crop yield interannual variability into three informative components that quantify how evenly are croplands distributed in the world, the proportion of cultivated areas allocated to regions of above or below average variability and the covariation between yields in distinct world regions. This decomposition is used to identify drivers of interannual yield variations for four major crops (i.e., maize, rice, soybean and wheat) over the period 1961–2012. We show that maize production is fairly spread but marked by one prominent region with high levels of crop yield interannual variability (which encompasses the North American corn belt in the USA, and Canada). In contrast, global rice yields have a small variability because, although spatially concentrated, much of the production is located in regions of below-average variability (i.e., South, Eastern and South Eastern Asia). Because of these contrasted land use allocations, an even cultivated land distribution across regions would reduce global maize yield variance, but increase the variance of global yield rice. Intermediate results are obtained for soybean and wheat for which croplands are mainly located in regions with close-to-average variability. At the scale of large world regions, we find that covariances of regional yields have a negligible contribution to global yield variance. The proposed decomposition could be applied at any spatial and time scales, including the yearly time step. By addressing global crop production stability (or lack thereof) our results contribute to the understanding of a key aspect of global food availability.

  13. 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

  14. Modelling the growth of a methanotrophic biofilm: estimation of parameters and variability.

    PubMed

    Arcangeli, J P; Arvin, E

    1999-06-01

    This article discusses the growth of methanotrophic biofilms. Several independent biofilm growths scenarios involving different inocula were examined. Biofilm growth, substrate removal and product formation were monitored throughout the experiments. Based on the oxygen consumption it was concluded that heterotrophs and nitrifiers co-existed with methanotrophs in the biofilm. Heterotrophic biomass grew on soluble polymers formed by the hydrolysis of dead biomass entrapped in the biofilm. Nitrifier populations developed because of the presence of ammonia in the mineral medium. Based on these experimental results, the computer program AQUASIM was used to develop a biological model involving methanotrophs, heterotrophs and nitrifiers. The modelling of six independent growth experiments showed that stoichiometric and kinetic parameters were within the same order of magnitude. Parameter estimation yielded an average maximum growth rate for methanotrophs, micron, of 1.5 +/- 0.5 d-1, at 20 degrees C, a decay rate, bm, of 0.24 +/- 0.1 d-1, a half saturation constant, KS(CH4), of 0.06 +/- 0.05 mg CH4/L, and a yield coefficient, YCH4, of 0.57 +/- 0.04 g X/g CH4. In addition, a sensitivity analysis was performed on this model. It indicated that the most influential parameters were those related to the biofilm (i.e. density; solid-volume fraction; thickness). This suggests that in order to improve the model, further research regarding the biofilm structure and composition is needed. PMID:10492886

  15. 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.

  16. Kinetic studies on the pyrolysis of pinewood.

    PubMed

    Mishra, Garima; Kumar, Jitendra; Bhaskar, Thallada

    2015-04-01

    The kinetic study for pyrolysis of pine wood has been studied by a thermogravimetric analyzer in an inert atmosphere. Non isothermal model free kinetic methods were used to evaluate kinetics at six different heating rates of 5-40°C/min. Three zones can be detected from the iso-conversional plot of pine with average activation energy values of 134.32 kJ/mol, 146.89 kJ/mol and 155.76 kJ/mol in the conversion range of 1-22%, 24-84% and 85-90%, respectively. The activation energy values were used to determine the reaction mechanism using master plots and compensation parameters. The results show that the pyrolysis process of pine wood can be described by two dimensional diffusion reaction mechanism in a wide range of conversion up to 0.7, followed by close to one and half order reaction mechanism. The kinetic results were validated by making isothermal predictions from non-isothermal data. PMID:25704102

  17. Kinetics of DNA Tile Dimerization

    PubMed Central

    2015-01-01

    Investigating how individual molecular components interact with one another within DNA nanoarchitectures, both in terms of their spatial and temporal interactions, is fundamentally important for a better understanding of their physical behaviors. This will provide researchers with valuable insight for designing more complex higher-order structures that can be assembled more efficiently. In this report, we examined several spatial factors that affect the kinetics of bivalent, double-helical (DH) tile dimerization, including the orientation and number of sticky ends (SEs), the flexibility of the double helical domains, and the size of the tiles. The rate constants we obtained confirm our hypothesis that increased nucleation opportunities and well-aligned SEs accelerate tile–tile dimerization. Increased flexibility in the tiles causes slower dimerization rates, an effect that can be reversed by introducing restrictions to the tile flexibility. The higher dimerization rates of more rigid tiles results from the opposing effects of higher activation energies and higher pre-exponential factors from the Arrhenius equation, where the pre-exponential factor dominates. We believe that the results presented here will assist in improved implementation of DNA tile based algorithmic self-assembly, DNA based molecular robotics, and other specific nucleic acid systems, and will provide guidance to design and assembly processes to improve overall yield and efficiency. PMID:24794259

  18. Kinetics of NCO + hydrocarbon reactions

    NASA Astrophysics Data System (ADS)

    Park, Joonbum; Hershberger, John F.

    1994-02-01

    The kinetics of NCO reactions with hydrocarbon molecules were investigated using time-resolved infrared diode laser absorption spectroscopy. NCO was probed at 1905.6 cm -1, and HNCO reaction products were probed at 2280.1 cm -1. Rate constants at 296 K were measured to be < 1.0 × 10 -14, (7.04 ± 1.20) × 10 -14, (2.29 ± 0.13) × 10 -13, (6.13 ± 0.32) × 10 -13, (8.78 ± 0.42) × 10 -13, (7.47 ± 0.8) × 10 -14, and (2.85 ± 0.22) × 10 -12 cm 3 molecule -1 s -1, for CH 4, C 2H 6, C 3H 8, n-C 4H 10, n-C 5H 12, C 2H 2, and C 2H 4, respectively. Hydrogen abstraction to form HNCO was observed to be a major product channel for reactions with alkanes and for C 2H 2. For C 2H 2, HNCO is formed in negligible yield, indicating that addition—elimination is the primary mechanism active.

  19. UNCONVENTIONAL METHODS FOR YIELD IMPROVEMENT

    E-print Network

    Beckermann, Christoph

    methods (active heating and cooling, directional solidifi- cation) Novel yield improvement techniques are being developed promoting directional solidification through a variety of active heating/cooling schemes CASTING THROUGH DIRECTIONAL SOLIDIFICATION OFFICE OF INDUSTRIAL TECHNOLOGIES ENERGY EFFICIENCY

  20. 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)

  1. 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.

  2. 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.

  3. Pseudo-Second-Order Kinetic Model for Biosorption of Methylene Blue onto Tamarind Fruit Shell: Comparison of Linear and Nonlinear Methods

    Microsoft Academic Search

    Shamik Chowdhury; Papita Saha

    2010-01-01

    In this study, the sorption of methylene blue, a basic dye, onto tamarind fruit shell was studied by performing batch kinetic sorption experiments. The equilibrium kinetic data were analyzed using the pseudo-second-order kinetic model. A comparison between linear least squares method and nonlinear regression method of estimating the kinetic parameters was examined. Four pseudo-second-order kinetic linear equations were discussed. The

  4. Oxidation of chlorinated ethenes by heat-activated persulfate: kinetics and products.

    PubMed

    Waldemer, Rachel H; Tratnyek, Paul G; Johnson, Richard L; Nurmi, James T

    2007-02-01

    In situ chemical oxidation (ISCO) and in situ thermal remediation (ISTR) are applicable to treatment of groundwater contaminated with chlorinated ethenes. ISCO with persulfate (S2O8(2-)) requires activation, and this can be achieved with the heat from ISTR, so there may be advantages to combining these technologies. To explore this possibility, we determined the kinetics and products of chlorinated ethene oxidation with heat-activated persulfate and compared them to the temperature dependence of other degradation pathways. The kinetics of chlorinated ethene disappearance were pseudo-first-order for 1-2 half-lives, and the resulting rate constants-measured from 30 to 70 degrees C--fit the Arrhenius equation, yielding apparent activation energies of 101 +/- 4 kJ mol(-1) for tetrachloroethene (PCE), 108 +/- 3 kJ mol(-1) for trichloroethene (TCE), 144 +/- 5 kJ mol(-1) for cis-1,2-dichloroethene (cis-DCE), and 141 +/- 2 kJ mol(-1) for trans-1,2-dichloroethene (trans-DCE). Chlorinated byproducts were observed, but most of the parent material was completely dechlorinated. Arrhenius parameters for hydrolysis and oxidation by persulfate or permanganate were used to calculate rates of chlorinated ethene degradation by these processes over the range of temperatures relevant to ISTR and the range of oxidant concentrations and pH relevant to ISCO. PMID:17328217

  5. Quantitative carbon-14 autoradiography at the cellular level: principles and application for cell kinetic studies.

    PubMed

    Dörmer, P

    1981-03-01

    Amounts of radio-labelled substances as low as 10(-18) moles incorporated into individual cells can be measured by utilizing techniques of quantitative autoradiography. For this purpose, radioactive standard sources are processed with the labelled cells smeared to slides. Carbon-14 is a favourable isotope with regard to minimal loss of beta-disintegrations due to self-absorption, and to limited cross-fire effects complicating the attribution of silver grains to individual cells. Silver grain densities can be counted by automated microphotometry allowing on-line data processing by an interfaced computer. Rate measurements of 14C-thymidine incorporation into individual cells yield values of the DNA synthesis rate provided that the endogenous pathway of thymidine-phosphate formation has been previously blocked. From the rate values of individual cells the DNA synthesis time of a cell compartment is derived. This is an essential time parameter for the evaluation of kinetic events in proliferating cell populations. This method is applicable to human cells without radiation hazard to man, and provides an optimal source of detailed information on the kinetics of normal and diseased human haematopoiesis. Examples of application consist of thalassaemia, malaria infection, iron deficiency anaemia and acute myelogenous leukaemia. PMID:7019161

  6. Thermal behaviour and kinetics of alga Polysiphonia elongata biomass during pyrolysis.

    PubMed

    Ceylan, Selim; Topcu, Y?ld?ray; Ceylan, Zeynep

    2014-11-01

    The pyrolysis characteristics and kinetics of Polysiphonia elongata were investigated using a thermogravimetric analyzer. The main decomposition of samples occurred between 225 °C and 485 °C at heating rates of 5-40 °C/min; owing to release of 78-82% of total volatiles. The heating rate effected pyrolysis characteristics such as maximum devolatilization rate and decomposition temperature. However, total volatile matter yield was not significantly affected by heating rate. The activation energy of pyrolysis reaction was calculated by model free Friedman and Kissenger-Akahira-Sunose methods and mean values were 116.23 kJ/mol and 126.48 kJ/mol, respectively. A variance in the activation energy with the proceeding conversions was observed for the models applied, which shows that the pyrolysis process was composed of multi-step kinetics. The Coats-Redfern method was used to determine pre-exponential factor and reaction order. The obtained parameters were used in simulation of pyrolysis process and results were in a good agreement with experimental data. PMID:25194914

  7. Lipase-catalyzed dimethyl adipate synthesis: response surface modeling and kinetics.

    PubMed

    Chaibakhsh, Naz; Rahman, Mohd Basyaruddin Abdul; Basri, Mahiran; Salleh, Abu Bakar; Abd-Aziz, Suraini

    2010-08-01

    Dimethyl adipate (DMA) was synthesized by immobilized Candida antarctica lipase B-catalyzed esterification of adipic acid and methanol. To optimize the reaction conditions of ester production, response surface methodology was applied, and the effects of four factors namely, time, temperature, enzyme concentration, and molar ratio of substrates on product synthesis were determined. A statistical model predicted that the maximum conversion yield would be 97.6%, at the optimal conditions of 58.5 degrees C, 54.0 mg enzyme, 358.0 min, and 12:1 molar ratio of methanol to adipic acid. The R(2) (0.9769) shows a high correlation between predicted and experimental values. The kinetics of the reaction was also investigated in this study. The reaction was found to obey the ping-pong bi-bi mechanism with methanol inhibition. The kinetic parameters were determined and used to simulate the experimental results. A good quality of fit was observed between the simulated and experimental initial rates. PMID:20632329

  8. Dispersive kinetics of nonphotochemical hole burning and spontaneous hole filling: Cresyl Violet in polyvinyl films

    SciTech Connect

    Shu, L.; Small, G.J. (Department of Chemistry and Ames Laboratory U.S. Department of Energy, Iowa State University, Ames, Iowa 50011 (United States))

    1992-05-01

    The dispersive kinetics of nonphotochemical burning and spontaneous filling of the zero-phonon hole of Cresyl Violet in polyvinyl alcohol at 1.6 K are analyzed in terms of the standard external two-level system (TLS{sub {ital ezt}}) model for probe--glass systems and a distribution function for the tunnel frequency derived from a normal distribution function for the tunnel parameter {lambda}. Average values for the relaxation rates for burning and filling are determined. It is shown that the dominant mechanism for filling is not global spectral diffusion but rather antihole reversion. A high degree of positive correlation between the rates of burning and filling associated with the TLS{sub {ital ext}} is found. A new methodology that permits a more physically reasonable interpretation of spontaneous hole-filling kinetics is described. It is based on the hypothesis that only a fraction of burned sites, on reversion to the ground state, yield sites with resonance frequencies that lie within the hole profile.

  9. TNT Prout-Tompkins Kinetics Calibration with PSUADE

    SciTech Connect

    Wemhoff, A P; Hsieh, H

    2007-04-11

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

  10. Running kinetic inflation

    SciTech Connect

    Nakayama, Kazunori [Theory Center, KEK, 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Takahashi, Fuminobu, E-mail: kazunori@post.kek.jp, E-mail: fuminobu.takahashi@ipmu.jp [Institute for the Physics and Mathematics of the Universe, University of Tokyo, Chiba 277-8583 (Japan)

    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.

  11. Cosmological kinetic mixing

    NASA Astrophysics Data System (ADS)

    Das, Ashok; Gamboa, Jorge; Pino, Miguel

    2015-06-01

    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 nonlocal 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.

  12. 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.

  13. 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. It is 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..

  14. Total and differential sputter yields of boron nitride

    NASA Astrophysics Data System (ADS)

    Topper, James Leo, IV

    A quartz crystal microbalance (QCM) based system was used to measure total and differential sputter yields of Boron Nitride targets due to Xenon ion bombardment. The system used a four-grid ion source to generate a (nearly) mono-energetic beam of ions with a low singles-to-doubles ratio that remains well-collimated at low energies. Boron Nitride sputter yields were measured as a function of Xenon ion energy and incidence angle. Total yield measurements are found by integrating differential yield data taken by the QCM. The measurement system was validated by sputtering Molybdenum, for which the measured yields compared well with published data. For Boron Nitride, complementary weight loss sputter yield measurements were conducted, but were found to be less accurate due to moisture absorption effects when samples were exposed to atmosphere. The effects of neutralization of both the ion beam and target surface were investigated, and a plasma bridge neutralizer (PBN) was used to prevent surface charge buildup on the target. The measured total sputter yields were found to vary strongly due to neutralization conditions, and were found to be approximately a factor of two higher than those available in the literature when aggressive target and beam neutralization was applied. The angular shape of the differential sputter yield profiles was described with fit parameters from the Modified Zhang equation.

  15. The kinetic temperature of Barnard 68

    NASA Astrophysics Data System (ADS)

    Hotzel, S.; Harju, J.; Juvela, M.

    2002-11-01

    We have observed the nearby isolated globule Barnard 68 (B68) in the (J,K)=(1,1) and (2,2) inversion lines of ammonia. The gas kinetic temperature derived from these is T=10+/-1.2 K. The observed line-widths are almost thermal: Delta V=0.181+/-0.003 km s-1 (Delta Vtherm= 0.164+/-0.010 km s-1), supporting the earlier hypothesis that B68 is in hydrostatic equilibrium. The kinetic temperature is an input parameter to the physical cloud model put forward recently, and we discuss the impact of the new value in this context. Based on observations with the 100-m telescope of the MPIfR (Max-Planck-Institut für Radioastronomie) at Effelsberg.

  16. Autocatalytic cure kinetics from isothermal DSC measurements

    SciTech Connect

    Keenan, M.R.

    1986-06-01

    Isothermal differential scanning calorimetry (DSC) can be used to characterize the cure kinetics of thermosetting polymers. Expressions relating autocatalytic rate law parameters to characteristic features of the DSC cure exotherm are developed. The simultaneous solution of these equations provides a simple method for estimating the rate law from isothermal DSC measurements. This technique does not require nonlinear least squares fitting, but rather, relies solely upon characteristics of the exotherm such as the peak reaction rate, time to the peak and extent of cure at the peak. The method is illustrated by obtaining the cure kinetics of an epoxy film adhesive (American Cyanamid FM 123-5) and a silicone encapsulating resin (Dow Corning Sylgard 184). The resulting rate laws are shown to describe the DSC exotherms in their entirety. The predictive ability of the rate law is also examined for the epoxy system and found to be good.

  17. 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 $\\lambda_J$.

  18. Nova Dust Nucleation: Kinetics and Photodissociation

    E-print Network

    D. J. Johnson; M. W. Friedlander; J. I. Katz

    1992-04-30

    Dust is observed to form in nova ejecta. The grain temperature is determined by the diluted nova radiation field rather than the gas kinetic temperature, making classical nucleation theory inapplicable. We used kinetic equations to calculate the growth of carbon nuclei in these ejecta. For expected values of the parameters too many clusters grew, despite the small sticking probability of atoms to small clusters, and the clusters only reached radii of about 100\\AA\\ when the carbon vapor was depleted. We then included the effects of cluster photodissociation by ultraviolet radiation from the nova. This suppresses nucleation, but too well, and no grains form at all. Finally we suggest that a few growing carbon nuclei may be protected from photodissociation by a sacrificial surface layer of hydrogen.

  19. Accuracy Analysis of Anisotropic Yield Functions based on the Root-Mean Square Error

    SciTech Connect

    Huh, Hoon; Lou, Yanshan; Bae, Gihyun; Lee, Changsoo [School of Mechanical, Aerospace, and Systems Engineering, KAIST, 335, Gwahangno, Daedoek Science Town, Daejeon, 305-701 (Korea, Republic of)

    2010-06-15

    This paper evaluates the accuracy of popular anisotropic yield functions based on the root-mean square error (RMSE) of the yield stresses and the R-values. The yield functions include Hill48, Yld89, Yld91, Yld96, Yld2000-2d, BBC2000 and Yld2000-18p yield criteria. Two kind steels and five kind aluminum alloys are selected for the accuracy evaluation. The anisotropic coefficients in yield functions are computed from the experimental data. The downhill simplex method is utilized for the parameter evaluation for the yield function except Hill48 and Yld89 yield functions after the error functions are constructed. The yield stresses and the R-values at every 15 deg. from the rolling direction (RD) and the yield stress and R-value at equibiaxial tension conditions are predicted from each yield function. The predicted yield stresses and R-values are then compared with the experimental data. The root-mean square errors (RMSE) are computed to quantitatively evaluate the yield function. The RMSEs are calculated for the yield stresses and the R-values separately because the yield stress difference is much smaller that the difference in the R-values. The RMSEs of different yield functions are compared for each material. The Hill48 and Yld89 yield functions are the worst choices for the anisotropic description of the yield stress anisotropy while Yld91 yield function is the last choice for the modeling of the R-value directionality. Yld2000-2d and BBC2000 yield function have the same accuracy on the modeling of both the yield stress anisotropy and the R-value anisotropy. The best choice is Yld2000-18 yield function to accurately describe the yield tress and R-value directionalities of sheet metals.

  20. Kinetics and design relation for enzymatic conversion of lactose into galacto-oligosaccharides using commercial grade ?-galactosidase.

    PubMed

    Palai, Tapas; Mitra, Shubhrajyoti; Bhattacharya, Prashant K

    2012-10-01

    The enzymatic synthesis of galacto-oligosaccharides (GOS) from lactose was studied using commercial grade ?-galactosidase (Biolacta FN5) from Bacillus circulans. The reaction was carried out under free enzyme condition varying initial lactose concentration (ILC: 55-525 g/L), enzyme concentration (0.05-1.575 g/L), temperature (30-50°C) and pH (5.0-6.0). Reaction mixture compositions were analyzed utilizing high performance liquid chromatography (HPLC). A maximum GOS formation of 39% (dry basis) was achieved at an ILC of 525 g/L converting 60% of the lactose fed. Tri-saccharides were the major types of GOS formed, accounting approximately 24%; whereas, tetra-saccharides and penta-saccharides account approximately 12% and 3%, respectively. Design correlation was developed in order to observe the quantitative effect of operating parameters on GOS yield. Further, based on Michaelis-Menten model, four-step reaction pathways were considered for simplistic understanding of the kinetics. Apart from predicting the reaction mixture composition, the approach also provided kinetic parameters though simulation using COPASI 4.7®. Excellent agreements were observed between simulated and experimental results. PMID:22695078

  1. Dynamic globularization kinetics during hot working of TA15 titanium alloy with colony microstructure

    Microsoft Academic Search

    Cheng-bao WU; He YANG; Xiao-guang FAN; Zhi-chao SUN

    2011-01-01

    The dynamic globularization kinetics of TA15 (Ti-6Al-2Zr-1Mo-1V) titanium alloy with a colony ? microstructure during deformation at temperature range of 860-940 °C and strain rate range of 0.01-10 s?1 was quantitatively studied through isothermal compression tests. It is found that the dynamic globularization kinetics and the kinetics rate of TA15 are sensitive to deformation parameters. The dynamic globularized fraction increases

  2. Biofilm dynamics and kinetics during high-rate sulfurate reduction under anaerobic conditions

    Microsoft Academic Search

    Nielsen

    1987-01-01

    The sulfate kinetics in an anaerobic, sulfate-reducing biofilm were investigated with an annular biofilm reactor. Biofilm growth, sulfide production, and kinetic constants (K\\/sub m\\/ and V\\/sub max\\/) for the bacterial sulfate uptake within the biofilm were determined. These parameters were used to model the biofilm kinetics, and the experimental results were in good agreement with the model predictions. Typical zero-order

  3. Curing kinetics of arylamine-based polyfunctional benzoxazine resins by dynamic differential scanning calorimetry

    Microsoft Academic Search

    Chanchira Jubsilp; Siriporn Damrongsakkul; Tsutomu Takeichi; Sarawut Rimdusit

    2006-01-01

    In this study, the curing kinetics of polyfunctional benzoxazine resins based on arylamine, i.e. aniline and 3,5-xylidine, designated as BA-a and BA-35x, respectively, were investigated. Non-isothermal differential scanning calorimetry (DSC) at different heating rates is used to determine the kinetic parameters and the kinetic models of the curing processes of the arylamine-based polyfunctional benzoxazine resins were proposed. Kissinger, Ozawa, Friedman,

  4. 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.

  5. 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

  6. Kinetics of coal combustion: 9th quarterly report

    SciTech Connect

    Gat, N.; Denison, R.; Petach, M.; Gavalas, G.R.; Flagan, R.C.; Essenhigh, R.H.

    1987-04-01

    Task 1: Mechanisms and Kinetics of Coal Volatiles Combustion. This task is performed on two levels. Engineering rate parameters are obtained by burning coal volatiles in a ''well stirred reactor'' at OSU. Kinetics of volatiles combustion are obtained by the ''flat-flame'' burner technique, in which mixtures of various aromatic compounds - typical of coal volatile matter produced under rapid heating conditions - are burned. Combustion kinetics of fundamental flame parameters are correlated by the Semenov/Von Karman Laminar Flame Theory. This investigation is performed at TRW. Task 2: Global Char Combustion Rates. The validity and range of applicability of an extended ''resistance'' equation to describe global char kinetics is investigated in this task. As part of this task, existing data in the literature as well as new data generated under other parts of this project are re-evaluated against the model. This work is jointly performed at Ohio State University and TRW. Task 3: Fundamental Mechanisms and Kinetics of Heterogeneous Char Combustion. This investigation addresses the changes in the morphological structure of a char particle during combustion and its influence on the combustion rate and char reactivity. Two experiments are planned to supplement the analysis: a Single Particle TGA, and a Flow Reactor. The analysis will define the test conditions and the range of parameters for the experiments. This task is performed at CIT.

  7. Kinetics of coal combustion: 6th quarterly report

    SciTech Connect

    Gat, N.; Fleeter, R.; Petach, M.; Wolff, M.; Gavalas, G.R.; Flagan, R.C.; Essenhigh, R.H.

    1986-07-01

    Task 1: Mechanisms and Kinetics of Coal Volatiles Combustion. This task is performed on two levels. Engineering rate parameters are obtained by burning coal volatiles in a ''well stirred reactor'' at OSU. Kinetics of volatiles combustion are obtained by the ''flat-flame'' burner technique, in which mixtures of various aromatic compounds - typical of coal volatile matter produced under rapid heating conditions - are burned. Combustion kinetics and fundamental flame parameters are correlated by the Semenov/Von Karman Laminar Flame Theory. This investigation is performed at TRW. Task 2: Global Char Combustion Rates. The validity and range of applicability of an extended ''resistance'' equation to describe global char kinetics is investigated in this task. As part of this task, existing data in the literature as well as new data generated under other parts of this project are re-evaluated against the model. This work is performed at Ohio State University. Task 3: Fundamental Mechanisms and Kinetics of Heterogeneous Char Combustion. This investigation addresses the changes in the morphological structure of a char particle during combustion and its influence on the combustion rate and char reactivity. Two experiments are planned to supplement the analysis: a Single TGA, and a Flow Reactor. The analysis will define the test conditions and the range of parameters for the experiments. This task is performed at CIT. 16 refs.

  8. Parameters of photosynthetic energy partitioning.

    PubMed

    Lazár, Dušan

    2015-03-01

    Almost every laboratory dealing with plant physiology, photosynthesis research, remote sensing, and plant phenotyping possesses a fluorometer to measure a kind of chlorophyll (Chl) fluorescence induction (FLI). When the slow Chl FLI is measured with addition of saturating pulses and far-red illumination, the so-called quenching analysis followed by the so-called relaxation analysis in darkness can be realized. These measurements then serve for evaluation of the so-called energy partitioning, that is, calculation of quantum yields of photochemical and of different types of non-photochemical processes. Several theories have been suggested for photosynthetic energy partitioning. The current work aims to summarize all the existing theories, namely their equations for the quantum yields, their meaning and their assumptions. In the framework of these theories it is also found here that the well-known NPQ parameter ( [Formula: see text] ; Bilger and Björkman, 1990) equals the ratio of the quantum yield of regulatory light-induced non-photochemical quenching to the quantum yield of constitutive non-regulatory non-photochemical quenching (?NPQ/?f,D). A similar relationship is also found here for the PQ parameter (?P/?f,D). PMID:25569797

  9. HDS + cracking ups capacity, yields

    SciTech Connect

    Rush, J.B.; Steed, P.V.

    1984-05-28

    Operation of atmospheric residual desulfurization units for catalytic cracker feed treatment at two Phillips Petroleum Co. refineries has resulted in benefits to both refinery operations. At Phillips' Sweeny and Borger, Tex., facilities, the new operations have resulted in greater flexibility in the choice of crude charge to refineries. Additionally, these facilities have provided a significant increase gasoline and distillate yields, decrease in the yield of residual fuel oil despite an increase in the amount of heavy crude charged. This article presents operating data from each of these refineries in the form of operation comparisons before and after installation of the new facilities to show the benefits from the hydrotreating-catalytic cracking scheme.

  10. hp calculators HP 50g Bond Yield

    E-print Network

    Vetter, Frederick J.

    hp calculators HP 50g Bond Yield The FINANCE menu Bond Yield Practice solving for the yield of a bond #12;hp calculators HP 50g Bond Yield hp calculators - 2 - HP 50g Bond Yield The FINANCE menu as Beg if chosen. To exit from this data entry screen, press the $ key. Figure 2 The HP 50g Financial

  11. Yield potential of Asparagus officinalis L

    Microsoft Academic Search

    D. M. Moon

    1976-01-01

    Yield of individual plants of Asparagus officinalis L. cv. ‘Mary Washington 500W’ grown from seed is very variable. Yield can be improved by selection on plant sex, specific vegetative characters, or yield itself. A study of yield variation among plants in an experimental population showed that an all-male population would yield 35% more than a population with about equal numbers

  12. Yield and flow properties of aluminum alloy AA 8001

    SciTech Connect

    Lyons, J.S.; Johnson, H.W.; Han, E.G. [Univ. of South Carolina, Columbia, SC (United States). Dept. of Mechanical Engineering] [Univ. of South Carolina, Columbia, SC (United States). Dept. of Mechanical Engineering

    1995-03-15

    Aluminum alloy AA 8001 is being used at the Westinghouse Savannah River Company (WSRC) for nuclear reactor fuel and target components. The objective of this research was to determine parameters for predictive models of the compressive flow properties of AA 8001. Seventy-five true strain-rate, hot compression tests were performed. New, quantitative information about the yield and flow behavior of aluminum alloy AA 8001 was determined. Parameters were determined to use in a hyperbolic sine constitutive law so that the yield stress, the peak stress, and the peak strain can be predicted from the temperature-compensated strain-rate, Z. It was found that the onset of strain softening was more strongly dependent on Z than the onset of yielding was.

  13. Ozone photolysis - Determination of the O/3P/ quantum yield at 266 nm

    NASA Technical Reports Server (NTRS)

    Brock, J. C.; Watson, R. T.

    1980-01-01

    Direct production of O(3P) from the photodissociation of O3 at 266 nm has been observed by time-resolved resonance fluorescence following laser flash photolysis. The quantum yield for O(3P) production was determined to be 0.12 + or - 0.02 at this wavelength. This result confirms the qualitative observations of two previous photofragment studies and establishes an absolute value of the quantum yield for O(1D) production of 0.88. This value has been used as a basis for normalizing relative quantum yields in the fall-off region, and interpreting O(1D) kinetics studies.

  14. Batch and Kinetic Studies of ni adsorption on Highly Humified newfoundland Peat

    E-print Network

    Coles, Cynthia

    Batch and Kinetic Studies of ni adsorption on Highly Humified newfoundland Peat emmanuel s. As's, NL, A1B 3X5, Canada abstract This study employed batch tests with a saprist peat soil from was used to determine the kinetic parameters at solution pH of 5.5 for peat doses of 4, 10, 21 and 40 g

  15. 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…

  16. Cure kinetics of epoxy resins studied by non-isothermal DSC data

    Microsoft Academic Search

    D Ro?u; C. N Ca?caval; F Musta; C Ciobanu

    2002-01-01

    The curing kinetics of diglycidyl ether of bisphenol A (DGEBA) and diglycidyl ether of hydroquinone (DGEHQ) epoxy resins in presence of diglycidyl aniline as a reactive diluent and triethylenetetramine (TETA) as the curing agent was studied by non-isothermal differential scanning calorimetry (DSC) technique at different heating rates. The kinetic parameters of the curing process were determined by isoconversional method given

  17. Utilization of Integrated Michaelis-Menten Equation to Determine Kinetic Constants

    ERIC Educational Resources Information Center

    Bezerra, Rui M. F.; Dias, Albino A.

    2007-01-01

    Students of biochemistry and related biosciences are urged to solve problems where kinetic parameters are calculated from initial rates obtained at different substrate concentrations. Troubles begin when they go to the laboratory to perform kinetic experiments and realize that usual laboratory instruments do not measure initial rates but only…

  18. 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

  19. Compounded Perturbations Yield Ecological Surprises

    E-print Network

    Johnson, Edward A.

    Compounded Perturbations Yield Ecological Surprises Robert T. Paine,1* Mia J. Tegner,2 and Edward A or age to first reproduction of the species of interest seem to be the important metrics for scaling/infrequent catastrophes, to be central to much traditional ecology; such directional or cyclical changes stimulated

  20. 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

  1. 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

  2. A novel diffusion-biphasic hydrolysis coupled kinetic model for dilute sulfuric acid pretreatment of corn stover.

    PubMed

    Chen, Longjian; Zhang, Haiyan; Li, Junbao; Lu, Minsheng; Guo, Xiaomiao; Han, Lujia

    2015-02-01

    Kinetic experiments on the dilute sulfuric acid pretreatment of corn stover were performed. A high xylan removal and a low inhibitor concentration were achieved by acid pretreatment. A novel diffusion-hydrolysis coupled kinetic model was proposed. The contribution to the xylose yield was analyzed by the kinetic model. Compared with the inhibitor furfural negatively affecting xylose yield, the fast and slow-hydrolyzing xylan significantly contributed to the xylose yield, however, their dominant roles were dependent on reaction temperature and time. The impact of particle size and acid concentration on the xylose yield were also investigated. The diffusion process may significantly influence the hydrolysis of large particles. Increasing the acid concentration from 0.15 M to 0.30 M significantly improved the xylose yield, whereas the extent of improvement decreased to near-quantitative when further increasing acid loading. These findings shed some light on the mechanism for dilute sulfuric acid hydrolysis of corn stover. PMID:25479388

  3. 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.

  4. 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

  5. Yields and spectroscopy of radioactive isotopes at LOHENGRIN and ISOLDE

    E-print Network

    Köster, U

    1999-01-01

    Yields of radioactive nuclei were measured at two facilities: the recoil separator LOHENGRIN at the Institut Laue Langevin in Grenoble and the on-line isotope separator ISOLDE at CERN in Geneva. At LOHENGRIN the yields of light charged particles were measured from thermal neutron induced ternary fission of several actinide targets: 233U, 235U, 239Pu, 241Pu and 245Cm. Thin targets are brought into a high neutron flux. The produced nuclei leave these with the recoil obtained in the fission reaction. They are measured at different energies and ionic charge states. After corrections for the experimental acceptance, the time behaviour of the fission rate and the ionic charge fraction, the yields are integrated over the kinetic energy distribution. Comparing these yields with the predictions of various ternary fission models shows that the most abundant nuclides are well reproduced. On the other hand the models overestimate significantly the production of more "exotic" nuclides with an extreme N/Z ratio. Therefore ...

  6. Model selection for urea kinetics in dialysis therapy

    Microsoft Academic Search

    F. Grandi; G. Avanzolini; A. Cappello; A. Santoro

    1993-01-01

    Single- and doublepi modeh of U- The parameters characterizing Model 1 are the urea kinetics during dialysis therapy are compared on the Production, G,, and the initial total volume, vo while basis of simulated and experimental data. The adopted initial condition is estimated by x(O)=C(O)\\/v,. criterium includes descriptive ability, accuracy of Fig.lb shows the second-order model (Model 2) where parameter

  7. 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.

  8. 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

  9. Nitrification kinetics of biofilm as affected by water quality factors

    Microsoft Academic Search

    Shulin Chen; Jian Ling; Jean-Paul Blancheton

    2006-01-01

    Various types of fixed film biofilters have been used in recirculating aquaculture systems under different water quality and operating conditions. The effectiveness of the nitrification process can be evaluated by nitrification kinetics. Nitrification in the bacterial film of the biofilter involves physical, chemical and biological processes that are governed by a variety of parameters such as substrate and dissolved oxygen

  10. Modelling kinetics of thermal degradation of colour in peach puree

    Microsoft Academic Search

    I. M. L. B. Ávila; C. L. M. Silva

    1999-01-01

    Optimisation of thermal processes relies on adequate degradation kinetic models for food safety and quality. In order to use peach puree as a model food to further validate calculated optimal conditions, isothermal experiments, using peach puree, were performed between 110°C and 135°C. Colour was quantified using the L, a, b system. Two combinations of these parameters, La\\/b and Total Colour

  11. Trajectory design for formations of robots by kinetic energy shaping

    E-print Network

    Belta, Calin A.

    Trajectory design for formations of robots by kinetic energy shaping Calin Belta and Vijay Kumar.cis.upenn.edu Abstract We develop a method for generating smooth trajectories for a set of mobile robots. Given two end configurations, by tuning one parameter, the user can choose an inter- polating trajectory from a continuum

  12. Kinetics of chalcopyrite dissolution by hydrogen peroxide in sulphuric acid

    Microsoft Academic Search

    M. M Antonijevi?; Z. D Jankovi?; M. D Dimitrijevi?

    2004-01-01

    The extraction of copper from a chalcopyrite concentrate by hydrogen peroxide in sulphuric acid solutions was studied. The influence of various parameters was investigated in order to elucidate the kinetics of chalcopyrite dissolution. It was determined that stirring speed had no effect on the rate of chalcopyrite dissolution, which suggested that reaction was not controlled by liquid-phase diffusion. Dissolution curves

  13. Kinetic Models of ?-Carotene Degradation During Air Drying of Carrots

    Microsoft Academic Search

    Athanasia M. Goula; Konstantinos G. Adamopoulos

    2010-01-01

    The objective of this study was to determine the kinetic parameters of models that describe the joint influence of temperature and moisture content on the thermal degradation of ?-carotene in a drying process of carrots. Two models were used: a first-order decay model with an Arrhenius and a polynomial dependency on temperature and water content, respectively, and a decay model

  14. Spaghetti cooking by microwave oven: Cooking kinetics and product quality

    Microsoft Academic Search

    E. Cocci; G. Sacchetti; M. Vallicelli; A. Angioloni; M. Dalla Rosa

    2008-01-01

    The cooking kinetics of spaghetti cooked in boiling water by a traditional method: (TRC) and by microwave (MWC) using an innovative oven suitable for pasta cooking were investigated. The quality of cooked spaghetti was studied as a function of the following cooking parameters: weight increase, total thermal effect and gelatinization extent.Microwave cooking resulted in a time–temperature profile different from that

  15. Reaction Kinetics in Food Extrusion-Methods and Results

    Microsoft Academic Search

    Xuewei Zhao; Yimin Wei; Zhangcun Wang; Fengliang Chen; Anthony Okhonlaye Ojokoh

    2011-01-01

    Extrusion cooking is a highly efficient food processing technology. During extrusion process, there are many desirable and undesirable reactions which will determine final product quality. While being heated and sheared simultaneously, food raw materials experience a non-isothermal process and their residence time in extruder is distributed. All these factors contribute to the difficulties in determining the kinetic parameters for those

  16. COLOR CHANGE KINETICS OF CELERY LEAVES UNDERGOING MICROWAVE HEATING

    Microsoft Academic Search

    Elçin Dem?rhan; Belma Özbek

    2011-01-01

    The aim of this study was to investigate the effect of microwave output power and sample amount on color change kinetics of celery leaves (Apium graveolens L.) during microwave heating. The color parameters of the materials were quantified by the Hunter Lab system. These values were also used for calculation of the total color change, chroma, hue angle, and browning

  17. Mission Fuel Kinetics Input and RELAP-like Calculations

    SciTech Connect

    Pavlovichev, A.M.

    2001-09-28

    In this document issued according to ''Work Release 02. P. 99-4b'' the neutronics parameters intended for use in 1-point kinetics RELAP model are presented. They are obtained for equilibrium 30% MOX fueled core of VVER-1000 containing boron burnable poison rods.

  18. Mineral hydrolysis kinetics

    SciTech Connect

    Westrich, H.R.; Cygan, R.T.; Arnold, G.W. [Sandia National Labs., Albuquerque, NM (United States); Casey, W.H. [California Univ., Davis, CA (United States). Dept. of Land, Air, and Water Resources

    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.

  19. Effect of loading history and material's structural state on the yield onset of a polymethylmethacrylate

    NASA Astrophysics Data System (ADS)

    Marano, C.; Rink, M.

    2009-03-01

    Constant strain rate tests at different rates and stress-relaxation tests at different intensities of the applied strain were performed on a polymethylmethacrylate under uniaxial loading conditions. Shear yielding onset was properly determined for each of the applied loading histories. Following previous works, different quantities were evaluated at the onset of yielding to identify a parameter, which could be fit for the definition of a yield criterion that takes into account the effect of the mechanical history. The influence of the material structural state on the parameters’ values at the onset of yielding was examined too.

  20. Viral capsids: kinetics of assembly under transient conditions and kinetics of disassembly.

    PubMed

    Zhdanov, Vladimir P

    2014-10-01

    The available kinetic models of assembly of viral protein capsids are focused primarily on the situations in vitro where the amount of protein is fixed. In vivo, however, the viral protein synthesis and capsid assembly occur under transient conditions in parallel with viral genome replication. Herein, a kinetic model describing the latter case of capsid assembly is proposed with emphasis on the period corresponding to the initial stage of viral genome replication. The analysis is aimed at small icosahedral capsids. With biologically reasonable values of model parameters, the model predicts rapid exponential growth of the populations of monomers and fully assembled capsids during the transient period of genome replication. Under the subsequent steady-state conditions with respect to replication, the monomer population is predicted to be nearly constant while the number of fully assembled capsids increases linearly. The kinetics of capsid disassembly, described briefly as well under conditions of negligible monomer concentration, exhibit a short induction period when the number of proteins in a capsid is only slightly smaller than in the beginning, followed by more rapid protein detachment. According to calculations, the latter kinetics may strongly depend on protein degradation. PMID:25375537

  1. Vector curvaton with varying kinetic function

    NASA Astrophysics Data System (ADS)

    Dimopoulos, Konstantinos; Kar?iauskas, Mindaugas; Wagstaff, Jacques M.

    2010-01-01

    A new model realization of the vector curvaton paradigm is presented and analyzed. The model consists of a single massive Abelian vector field, with a Maxwell-type kinetic term. By assuming that the kinetic function and the mass of the vector field are appropriately varying during inflation, it is shown that a scale-invariant spectrum of superhorizon perturbations can be generated. These perturbations can contribute to the curvature perturbation of the Universe. If the vector field remains light at the end of inflation it is found that it can generate substantial statistical anisotropy in the spectrum and bispectrum of the curvature perturbation. In this case the non-Gaussianity in the curvature perturbation is predominantly anisotropic, which will be a testable prediction in the near future. If, on the other hand, the vector field is heavy at the end of inflation then it is demonstrated that particle production is approximately isotropic and the vector field alone can give rise to the curvature perturbation, without directly involving any fundamental scalar field. The parameter space for both possibilities is shown to be substantial. Finally, toy models are presented which show that the desired variation of the mass and kinetic function of the vector field can be realistically obtained, without unnatural tunings, in the context of supergravity or superstrings.

  2. Ensemble kinetic modeling of metabolic networks from dynamic metabolic profiles.

    PubMed

    Jia, Gengjie; Stephanopoulos, Gregory; Gunawan, Rudiyanto

    2012-01-01

    Kinetic modeling of metabolic pathways has important applications in metabolic engineering, but significant challenges still remain. The difficulties faced vary from finding best-fit parameters in a highly multidimensional search space to incomplete parameter identifiability. To meet some of these challenges, an ensemble modeling method is developed for characterizing a subset of kinetic parameters that give statistically equivalent goodness-of-fit to time series concentration data. The method is based on the incremental identification approach, where the parameter estimation is done in a step-wise manner. Numerical efficacy is achieved by reducing the dimensionality of parameter space and using efficient random parameter exploration algorithms. The shift toward using model ensembles, instead of the traditional "best-fit" models, is necessary to directly account for model uncertainty during the application of such models. The performance of the ensemble modeling approach has been demonstrated in the modeling of a generic branched pathway and the trehalose pathway in Saccharomyces cerevisiae using generalized mass action (GMA) kinetics. PMID:24957767

  3. Sputter yield of curved surfaces

    NASA Astrophysics Data System (ADS)

    Urbassek, Herbert M.; Bradley, R. Mark; Nietiadi, Maureen L.; Möller, Wolfhard

    2015-04-01

    The mean sputter yield produced by the impact of a single ion depends on the radii of curvature of the target surface at the point of impact. Using the Sigmund model of ion sputtering, we develop analytical formulas for this dependence for the case in which the radii of curvature are large compared to the size of the ion-induced collision cascade; both locally perpendicular and oblique ion impact are considered. The sputter yield is increased for impact on convex surfaces. The influence of surface curvature along the incident-ion azimuth and perpendicular to it are discussed separately. Our analytical results are in good agreement with Monte Carlo simulations for the specific case of 20 keV Ar ion impact on a cylindrical nanowire consisting of amorphous silicon. We also extend the results for this case to small radii of curvature using both Monte Carlo and molecular dynamics simulations.

  4. Kinetic Monte Carlo simulation of 4-nitrophenol ozonation in the presence of ZnO nanocatalyst

    NASA Astrophysics Data System (ADS)

    Rafiee, Marzieh; Bashiri, Hadis

    2015-06-01

    Kinetics and mechanism of 4-nitrophenol (4NP) ozonation in the presence of ZnO nanocatalyst were investigated by kinetic Monte Carlo simulation. A mechanism for catalytic ozonation of 4NP with ZnO nanocatalyst was suggested and the rate constants of each step were obtained. It was shown that the simulated kinetics data are in good agreement with experimental data. By using the obtained mechanism and kinetics parameters, the effect of initial concentrations of ozone, 4NP and nanocatalyst on the rate of ozonation was studied.

  5. Kinetics of electroluminescence in an efficient silicon light-emitting diode with thermally stable spectral characteristics

    Microsoft Academic Search

    A. M. Emel’yanov; Yu. A. Nikolaev; N. A. Sobolev; T. M. Mel’nikova

    2004-01-01

    The kinetics of the rise and decay of electroluminescence in an efficient silicon light-emitting diode that is formed by diffusion\\u000a and features a high thermal stability of spectral parameters of electroluminescence in the region of band-to-band transitions\\u000a is studied for various injection currents. The parameters of the electroluminescence kinetics are compared with effective\\u000a lifetimes of minority charge carriers and characteristics

  6. PET kinetic analysis: error consideration of quantitative analysis in dynamic studies

    Microsoft Academic Search

    Yoko Ikoma; Hiroshi Watabe; Miho Shidahara; Mika Naganawa; Yuichi Kimura

    2008-01-01

    Positron emission tomography dynamic studies have been performed to quantify several biomedical functions. In a quantitative\\u000a analysis of these studies, kinetic parameters were estimated by mathematical methods, such as a nonlinear least-squares algorithm\\u000a with compartmental model and graphical analysis. In this estimation, the uncertainty in the estimated kinetic parameters depends\\u000a on the signal-to-noise ratio and quantitative analysis method. This review

  7. Yield issues with local interconnect

    NASA Astrophysics Data System (ADS)

    Henis, Neil B.; Bolton, Scott; Montez, Ruben; Legg, James; Kim, Sung; Vuong, Quong

    1998-08-01

    We report here on process integration issues in the interconnect module of advanced microprocessor. We show how stresses in certain layers can affect yield and result in novel failure mechanisms in other layers. The paper will follow the history of a yield crash from beginning to end. We show how the problem was isolated, how yields were raised once the issues were fixed, and how an understanding of the issues involved can allow us to construct a more robust process from the beginning, therefore minimizing the possibility of such problems occurring in the first pace. The particular work here involves interactions of TiN with TEOS layers, and shows how local interconnect shorting can be caused by interactions between all of these layers. Stress effects in the as deposited TEOS films, although not obvious, can play a large role in determining whether or not problems occur. We also will examine how supposedly identical tools, or even two chambers within one tool can produce dramatically different end results in terms of film properties.

  8. Groundwater management under sustainable yield uncertainty

    NASA Astrophysics Data System (ADS)

    Delottier, Hugo; Pryet, Alexandre; Dupuy, Alain

    2015-04-01

    The definition of the sustainable yield (SY) of a groundwater system consists in adjusting pumping rates so as to avoid groundwater depletion and preserve environmental flows. Once stakeholders have defined which impacts can be considered as "acceptable" for both environmental and societal aspects, hydrogeologists use groundwater models to estimate the SY. Yet, these models are based on a simplification of actual groundwater systems, whose hydraulic properties are largely unknown. As a result, the estimated SY is subject to "predictive" uncertainty. We illustrate the issue with a synthetic homogeneous aquifer system in interaction with a stream for steady state and transient conditions. Simulations are conducted with the USGS MODFLOW finite difference model with the river-package. A synthetic dataset is first generated with the numerical model that will further be considered as the "observed" state. In a second step, we conduct the calibration operation as hydrogeologists dealing with real word, unknown groundwater systems. The RMSE between simulated hydraulic heads and the synthetic "observed" values is used as objective function. But instead of simply "calibrating" model parameters, we explore the value of the objective function in the parameter space (hydraulic conductivity, storage coefficient and total recharge). We highlight the occurrence of an ellipsoidal "null space", where distinct parameter sets lead to equally low values for the objective function. The optimum of the objective function is not unique, which leads to a range of possible values for the SY. With a large confidence interval for the SY, the use of modeling results for decision-making is challenging. We argue that prior to modeling operations, efforts must be invested so as to narrow the intervals of likely parameter values. Parameter space exploration is effective to estimate SY uncertainty, but not efficient because of its computational burden and is therefore inapplicable for real world groundwater systems. For predictive analysis of the SY to be realistic for real world problems, we test a calibration method based on the Gauss-Levenberg-Marquardt algorithm. Our results highlight that the analysis of the SY predictive uncertainty is essential for groundwater management. This uncertainty is expected to be large and can be addressed with better a priori information on model parameter values.

  9. 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.

  10. The Z {yields} cc-bar {yields} {gamma}{gamma}*, Z {yields} bb-bar {yields} {gamma}{gamma}* triangle diagrams and the Z {yields} {gamma}{psi}, Z {yields} {gamma}Y decays

    SciTech Connect

    Achasov, N. N., E-mail: achasov@math.nsc.ru [Russina Academy of Sciences, Sobolev Institute of Mathematics, Siberian Division (Russian Federation)

    2011-03-15

    The approach to the Z {yields} {gamma}{psi} and Z {yields} {gamma}Y decay study is presented in detail, based on the sum rules for the Z {yields} cc-bar {yields} {gamma}{gamma}* and Z {yields} bb-bar {yields} {gamma}{gamma}* amplitudes and their derivatives. The branching ratios of the Z {yields} {gamma}{psi} and Z {yields} {gamma}Y decays are calculated for different hypotheses on saturation of the sum rules. The lower bounds of {Sigma}{sub {psi}} BR(Z {yields} {gamma}{psi}) = 1.95 Multiplication-Sign 10{sup -7} and {Sigma}{sub {upsilon}} BR(Z {yields} {gamma}Y) = 7.23 Multiplication-Sign 10{sup -7} are found. Deviations from the lower bounds are discussed, including the possibility of BR(Z {yields} {gamma}J/{psi}(1S)) {approx} BR(Z {yields} {gamma}Y(1S)) {approx} 10{sup -6}, that could be probably measured in LHC. The angular distributions in the Z {yields} {gamma}{psi} and Z {yields} {gamma}Y decays are also calculated.

  11. Glutathione reductase: solvent equilibrium and kinetic isotope effects

    SciTech Connect

    Wong, K.K.; Vanoni, M.A.; Blanchard, J.S.

    1988-09-06

    Glutathione reductase catalyzes the NADPH-dependent reduction of oxidized glutathione (GSSG). The kinetic mechanism is ping-pong, and we have investigated the rate-limiting nature of proton-transfer steps in the reactions catalyzed by the spinach, yeast, and human erythrocyte glutathione reductases using a combination of alternate substrate and solvent kinetic isotope effects. With NADPH or GSSG as the variable substrate, at a fixed, saturating concentration of the other substrate, solvent kinetic isotope effects were observed on V but not V/K. Plots of Vm vs mole fraction of D2O (proton inventories) were linear in both cases for the yeast, spinach, and human erythrocyte enzymes. When solvent kinetic isotope effect studies were performed with DTNB instead of GSSG as an alternate substrate, a solvent kinetic isotope effect of 1.0 was observed. Solvent kinetic isotope effect measurements were also performed on the asymmetric disulfides GSSNB and GSSNP by using human erythrocyte glutathione reductase. The Km values for GSSNB and GSSNP were 70 microM and 13 microM, respectively, and V values were 62 and 57% of the one calculated for GSSG, respectively. Both of these substrates yield solvent kinetic isotope effects greater than 1.0 on both V and V/K and linear proton inventories, indicating that a single proton-transfer step is still rate limiting. These data are discussed in relationship to the chemical mechanism of GSSG reduction and the identity of the proton-transfer step whose rate is sensitive to solvent isotopic composition. Finally, the solvent equilibrium isotope effect measured with yeast glutathione reductase is 4.98, which allows us to calculate a fractionation factor for the thiol moiety of GSH of 0.456.

  12. Kinetic Gravity Braiding and axion inflation

    E-print Network

    Debaprasad Maity

    2013-03-11

    We constructed a new class of inflationary model with the higher derivative axion field which obeys constant shift symmetry. In the usual axion (natural) inflation, the axion decay constant is predicted to be in the super-Planckian regime which is believed to be incompatible with an effective field theory framework. With a novel mechanism originating from a higher derivative kinetic gravity braiding (KGB) of an axion field we found that there exist a huge parameter regime in our model where axion decay constant could be naturally sub-Planckian. Thanks to the KGB which effectively reduces the Planck constant. This effectively reduced Planck scale provides us the mechanism of further lowering down the speed of an axion field rolling down its potential without introducing super-Planckian axion decay constant. We also find that with that wide range of parameter values, our model induces almost scale invariant power spectrum as observed in CMB experiments.

  13. 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

  14. An effective method for resolving spatial distribution of adsorption kinetics in heterogeneous porous media: application for carbon dioxide sequestration in coal

    Microsoft Academic Search

    C. Özgen Karacan

    2003-01-01

    In adsorption studies, equilibrium adsorption properties are relatively easy to determine compared to kinetic parameters. Especially, it is not possible to study the spatial distribution of adsorption kinetics in structurally heterogeneous adsorbents by the available and almost standardized macroscopic methods. This paper presents application of quantitative X-ray computerized tomography (CT) imaging in investigating the spatial distribution of adsorption kinetics. The

  15. 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 ...

  16. Kinetic inductance magnetometer.

    PubMed

    Luomahaara, Juho; Vesterinen, Visa; Grönberg, Leif; Hassel, Juha

    2014-01-01

    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. PMID:25204869

  17. Glutamate Receptor Channel Kinetics

    PubMed Central

    Kerry, C. J.; Ramsey, R. L.; Sansom, M. S. P.; Usherwood, P. N. R.

    1988-01-01

    Single channel recordings from the locust muscle D-glutamate receptor channel were obtained using glutamate concentrations ranging from 10-6 to 10-2 M. Channel kinetics were analyzed to aid in the development of a model for the gating mechanism. Analysis of channel dwell time histograms demonstrated that the channel possessed multiple open and closed states at concentrations of glutamate between 10-5 and 10-2 M. Correlations between successive dwell times showed that the gating mechanism was nonlinear (i.e., branched or cyclic) over the same glutamate concentration range. The glutamate concentration dependence of the channel open probability, and of the event frequency, was used to explore two possible allosteric gating mechanisms in more detail. PMID:19431716

  18. Practical Strategies for Achieving High Yields

    Technology Transfer Automated Retrieval System (TEKTRAN)

    High yields are considered to be any level of yields significantly higher than the maximum county level yields. Producers often use the county level yields as their metric to determine their status among the rest of the producers in the county and to normalize for any potential local weather variat...

  19. Stratospheric sulfur oxidation kinetics

    SciTech Connect

    Jayne, J.T.; Worsnop, D.R.; Kolb, C.E. [Aerodyne Research, Inc., Billerica, MA (United States)] [and others

    1995-12-31

    Oxidation of SO2 to H2SO4 in the atmosphere is believed to involve the reaction of SO3 with water. It is commonly assumed that this is an important step leading to homogeneous nucleation of H2SO4 aerosol particles. Heterogeneous chemistry on sulfuric acid aerosols regulate much of the ozone photochemistry in the lower stratosphere and are also believed to have significant effect on the climate. Understanding aerosol loading requires a detailed knowledge of the stratospheric sulfur budget, including its oxidation kinetics. Here we present results of a laboratory project studying a key step in the oxidation process, the homogeneous reaction between SO3 and H2O vapor. Kinetic measurements are performed in a high-pressure turbulent fast-flow reactor (fabricated at MIT) which minimizes heterogeneous loss of SO3 on reactorwalls. The rate of decay of SO3 and the appearance of H2SO4 is monitored in the presence of excess water vapor. Gas phase reactants and products are detected via an atmospheric pressure chemical ionization mass spectrometer which is coupled to the exit of the flow reactor. Sulfuric acid nucleation studies can also be performed using the turbulent flow reactor. Initial measurements using a particle detector (based on Mie scattering) showed that aerosol formation and particle size distribution are controlled by varying the SO3/H2O gas ratio and the reactor temperature. Results for the reaction SO3J+ H2O show a second order dependence in water vapor density and a strong negative temperature dependence. The results, measured in the range -30C to +95C, imply that an SO3.H2O adduct and/or a water dimer species is likely involved in the reaction mechanism. Results of recent theoretical calculations on the SO3 + H2O system also support the finding that two water molecules are involved. Implications for the gas phase production of sulfuric acid in the atmosphere will be discussed.

  20. Kinetic model-based feed-forward controlled fed-batch fermentation of Lactobacillus rhamnosus for the production of lactic acid from Arabic date juice.

    PubMed

    Choi, Minsung; Al-Zahrani, Saeed M; Lee, Sang Yup

    2014-06-01

    Arabic date is overproduced in Arabic countries such as Saudi Arabia and Iraq and is mostly composed of sugars (70-80 wt%). Here we developed a fed-batch fermentation process by using a kinetic model for the efficient production of lactic acid to a high concentration from Arabic date juice. First, a kinetic model of Lactobacillus rhamnosus grown on date juice in batch fermentation was constructed in EXCEL so that the estimation of parameters and simulation of the model can be easily performed. Then, several fed-batch fermentations were conducted by employing different feeding strategies including pulsed feeding, exponential feeding, and modified exponential feeding. Based on the results of fed-batch fermentations, the kinetic model for fed-batch fermentation was also developed. This new model was used to perform feed-forward controlled fed-batch fermentation, which resulted in the production of 171.79 g l(-1) of lactic acid with the productivity and yield of 1.58 and 0.87 g l(-1) h(-1), respectively. PMID:24100793