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Sample records for kinetics parameters variations

  1. Sensitivity of benzene natural attenuation to variations in kinetic and transport parameters in Liwa Aquifer, UAE.

    PubMed

    Mohamed, Mohamed M; Saleh, Nawal E; Sherif, Mohsen M

    2010-04-01

    Dissolved benzene was detected in the shallow unconfined Liwa aquifer (UAE). This aquifer represents the main freshwater source for a nearby residence camp area. A finite element model is used to simulate the fate, transport, and attenuation of the dissolved benzene plume to help decision makers assess natural attenuation as a viable remediation option. Sensitivity of benzene attenuation to uncertainties in the estimation of some of the kinetic and transport parameters is studied. It was found that natural attenuation is more sensitive to microbial growth rate and half saturation coefficients of both benzene and oxygen than initial biomass concentration and dispersivity coefficients. Increasing microbial growth rate by fourfold increased natural attenuation effectiveness after 40 years by 10%; while decreasing it by fourfold decreased natural attenuation effectiveness by 77%. On the other hand, increasing half saturation coefficient by fourfold decreased natural attenuation effectiveness by 46% in 40 years. Decreasing the same parameter fourfold caused natural attenuation effectiveness to increase by 9%.

  2. Kinetic parameters and structural variations in Cu-Al-Mn and Cu-Al-Mn-Mg shape memory alloys

    NASA Astrophysics Data System (ADS)

    Canbay, Canan Aksu

    2017-02-01

    In this work polycrystalline Cu-Al-Mn and Cu-Al-Mn-Mg SMAs were fabricated by arc melting. The thermal analysis was made to determine the characteristic transformation temperatures of the samples and kinetic parameters. Also the effect of Mg on transformation temperatures and kinetic parameters detected. The structural analysis was made to designate the diffraction planes of martensite phase at room temperature and this was supported by optical measurement observations.

  3. The AdhS alleloenzyme of alcohol dehydrogenase from Drosophila melanogaster. Variation of kinetic parameters with pH.

    PubMed Central

    Winberg, J O; McKinley-McKee, J S

    1988-01-01

    The variation with pH of the kinetic parameters for the alcohol and acetaldehyde reactions were studied for the alleloenzyme AdhS from Drosophila melanogaster. The variation of Ki (KEO,I) with pH for two ethanol-competitive inhibitors, pyrazole and 2,2,2-trifluoroethanol, was also studied. Both alcohol oxidation and acetaldehyde reduction follow a compulsory ordered pathway, with coenzyme binding first. The rate-limiting step for ethanol oxidation is complex and involves at least hydride transfer and dissociation of the enzyme-NADH complex (ER). In contrast with this, the rate-limiting step for the back reaction, i.e. the reduction of acetaldehyde, is dissociation of the enzyme-NAD+ complex (EO). A rate-limiting ER dissociation appears in the oxidation of the secondary alcohol propan-2-ol, whereas for the back reaction, i.e. acetone reduction, hydride transfer in the ternary complexes is rate-limiting. There is one group in the free enzyme, with a pK of approx. 8.0, that regulates the kon velocity for NADH, whereas for NAD+ several groups seem to be involved. A group in the enzyme is drastically perturbed by the formation of the binary EO complex. Protonation of this group with a pK of 7.6 in the EO complex resulted in weakened alcohol and inhibitor binding, in addition to an increased dissociation rate of NAD+ from the binary EO complex. Neither the binding of acetaldehyde nor the dissociation rate of NADH from the binary ER complex varied within the pH region studied. PMID:3144268

  4. The AdhS alleloenzyme of alcohol dehydrogenase from Drosophila melanogaster. Variation of kinetic parameters with pH.

    PubMed

    Winberg, J O; McKinley-McKee, J S

    1988-10-15

    The variation with pH of the kinetic parameters for the alcohol and acetaldehyde reactions were studied for the alleloenzyme AdhS from Drosophila melanogaster. The variation of Ki (KEO,I) with pH for two ethanol-competitive inhibitors, pyrazole and 2,2,2-trifluoroethanol, was also studied. Both alcohol oxidation and acetaldehyde reduction follow a compulsory ordered pathway, with coenzyme binding first. The rate-limiting step for ethanol oxidation is complex and involves at least hydride transfer and dissociation of the enzyme-NADH complex (ER). In contrast with this, the rate-limiting step for the back reaction, i.e. the reduction of acetaldehyde, is dissociation of the enzyme-NAD+ complex (EO). A rate-limiting ER dissociation appears in the oxidation of the secondary alcohol propan-2-ol, whereas for the back reaction, i.e. acetone reduction, hydride transfer in the ternary complexes is rate-limiting. There is one group in the free enzyme, with a pK of approx. 8.0, that regulates the kon velocity for NADH, whereas for NAD+ several groups seem to be involved. A group in the enzyme is drastically perturbed by the formation of the binary EO complex. Protonation of this group with a pK of 7.6 in the EO complex resulted in weakened alcohol and inhibitor binding, in addition to an increased dissociation rate of NAD+ from the binary EO complex. Neither the binding of acetaldehyde nor the dissociation rate of NADH from the binary ER complex varied within the pH region studied.

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

    ERIC Educational Resources Information Center

    Salvador, F.; And Others

    1984-01-01

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

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

    ERIC Educational Resources Information Center

    Salvador, F.; And Others

    1984-01-01

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

  7. Kinetic parameters from thermogravimetric analysis

    NASA Technical Reports Server (NTRS)

    Kiefer, Richard L.

    1993-01-01

    High performance polymeric materials are finding increased use in aerospace applications. Proposed high speed aircraft will require materials to withstand high temperatures in an oxidative atmosphere for long periods of time. It is essential that accurate estimates be made of the performance of these materials at the given conditions of temperature and time. Temperatures of 350 F (177 C) and times of 60,000 to 100,000 hours are anticipated. In order to survey a large number of high performance polymeric materials on a reasonable time scale, some form of accelerated testing must be performed. A knowledge of the rate of a process can be used to predict the lifetime of that process. Thermogravimetric analysis (TGA) has frequently been used to determine kinetic information for degradation reactions in polymeric materials. Flynn and Wall studied a number of methods for using TGA experiments to determine kinetic information in polymer reactions. Kinetic parameters, such as the apparent activation energy and the frequency factor, can be determined in such experiments. Recently, researchers at the McDonnell Douglas Research Laboratory suggested that a graph of the logarithm of the frequency factor against the apparent activation energy can be used to predict long-term thermo-oxidative stability for polymeric materials. Such a graph has been called a kinetic map. In this study, thermogravimetric analyses were performed in air to study the thermo-oxidative degradation of several high performance polymers and to plot their kinetic parameters on a kinetic map.

  8. Variational Approach to Molecular Kinetics.

    PubMed

    Nüske, Feliks; Keller, Bettina G; Pérez-Hernández, Guillermo; Mey, Antonia S J S; Noé, Frank

    2014-04-08

    The eigenvalues and eigenvectors of the molecular dynamics propagator (or transfer operator) contain the essential information about the molecular thermodynamics and kinetics. This includes the stationary distribution, the metastable states, and state-to-state transition rates. Here, we present a variational approach for computing these dominant eigenvalues and eigenvectors. This approach is analogous to the variational approach used for computing stationary states in quantum mechanics. A corresponding method of linear variation is formulated. It is shown that the matrices needed for the linear variation method are correlation matrices that can be estimated from simple MD simulations for a given basis set. The method proposed here is thus to first define a basis set able to capture the relevant conformational transitions, then compute the respective correlation matrices, and then to compute their dominant eigenvalues and eigenvectors, thus obtaining the key ingredients of the slow kinetics.

  9. qPIPSA: Relating enzymatic kinetic parameters and interaction fields

    PubMed Central

    Gabdoulline, Razif R; Stein, Matthias; Wade, Rebecca C

    2007-01-01

    . Outliers may arise due to variation in the importance of different contributions to the kinetic parameters, such as protein stability and conformational changes. The qPIPSA approach can assist in the validation as well as estimation of kinetic parameters, and provide insights into enzyme mechanism. PMID:17919319

  10. Determination of kinetic parameters for biomass combustion.

    PubMed

    Álvarez, A; Pizarro, C; García, R; Bueno, J L; Lavín, A G

    2016-09-01

    The aim of this work is to provide a wide database of kinetic data for the most common biomass by thermogravimetric analysis (TGA) and differential thermogravimetry (DTG). Due to the characteristic parameters of DTG curves, a two-stage reaction model is proposed and the kinetic parameters obtained from model-based methods with energy activation values for first and second stages in the range 1.75·10(4)-1.55·10(5)J/mol and 1.62·10(4)-2.37·10(5)J/mol, respectively. However, it has been found that Flynn-Wall-Ozawa and Kissinger-Akahira-Sunose model-free methods are not suitable to determine the kinetic parameters of biomass combustion since the assumptions of these two methods were not accomplished in the full range of the combustion process.

  11. Kinetic parameters for source driven systems

    SciTech Connect

    Dulla, S.; Ravetto, P.; Carta, M.; D'Angelo, A.

    2006-07-01

    The definition of the characteristic kinetic parameters of a subcritical source-driven system constitutes an interesting problem in reactor physics with important consequences for practical applications. Consistent and physically meaningful values of the parameters allow to obtain accurate results from kinetic simulation tools and to correctly interpret kinetic experiments. For subcritical systems a preliminary problem arises for the adoption of a suitable weighting function to be used in the projection procedure to derive a point model. The present work illustrates a consistent factorization-projection procedure which leads to the definition of the kinetic parameters in a straightforward manner. The reactivity term is introduced coherently with the generalized perturbation theory applied to the source multiplication factor ks, which is thus given a physical role in the kinetic model. The effective prompt lifetime is introduced on the assumption that a neutron generation can be initiated by both the fission process and the source emission. Results are presented for simplified configurations to fully comprehend the physical features and for a more complicated highly decoupled system treated in transport theory. (authors)

  12. Variation of Parameters in Differential Equations (A Variation in Making Sense of Variation of Parameters)

    ERIC Educational Resources Information Center

    Quinn, Terry; Rai, Sanjay

    2012-01-01

    The method of variation of parameters can be found in most undergraduate textbooks on differential equations. The method leads to solutions of the non-homogeneous equation of the form y = u[subscript 1]y[subscript 1] + u[subscript 2]y[subscript 2], a sum of function products using solutions to the homogeneous equation y[subscript 1] and…

  13. Variation of Parameters in Differential Equations (A Variation in Making Sense of Variation of Parameters)

    ERIC Educational Resources Information Center

    Quinn, Terry; Rai, Sanjay

    2012-01-01

    The method of variation of parameters can be found in most undergraduate textbooks on differential equations. The method leads to solutions of the non-homogeneous equation of the form y = u[subscript 1]y[subscript 1] + u[subscript 2]y[subscript 2], a sum of function products using solutions to the homogeneous equation y[subscript 1] and…

  14. Kinetic Parameter Measurements in the MINERVE Reactor

    NASA Astrophysics Data System (ADS)

    Perret, Grégory; Geslot, Benoit; Gruel, Adrien; Blaise, Patrick; Di-Salvo, Jacques; De Izarra, Grégoire; Jammes, Christian; Hursin, Mathieu; Pautz, Andréas

    2017-01-01

    In the framework of an international collaboration, teams of the PSI and CEA research institutes measure the critical decay constant (α0 = β/A), delayed neutron fraction (β) and generation time (A) of the Minerve reactor using the Feynman-α, Power Spectral Density and Rossi-α neutron noise measurement techniques. These measurements contribute to the experimental database of kinetic parameters used to improve nuclear data files and validate modern methods in Monte Carlo codes. Minerve is a zero-power pool reactor composed of a central experimental test lattice surrounded by a large aluminum buffer and four high-enriched driver regions. Measurements are performed in three slightly subcritical configurations (-2 cents to -30 cents) using two high-efficiency 235U fission chambers in the driver regions. Measurement of α0 and β obtained by the two institutes and with the different techniques are consistent for the configurations envisaged. Slight increases of the β values are observed with the subcriticality level. Best estimate values are obtained with the Cross-Power Spectral Density technique at -2 cents, and are worth: β = 716.9±9.0 pcm, α0 = 79.0±0.6 s-1 and A = 90.7±1.4 μs. The kinetic parameters are predicted with MCNP5-v1.6 and TRIPOLI4.9 and the JEFF-3.1/3.1.1 and ENDF/B-VII.1 nuclear data libraries. The predictions for β and α0 overestimate the experimental results by 3-5% and 10-12%, respectively; that for A underestimate the experimental result by 6-7%. The discrepancies are suspected to come from the driven system nature of Minerve and the location of the detectors in the driver regions, which prevent accounting for the full reactor.

  15. Seasonal variations of haematological parameters in athletes.

    PubMed

    Banfi, Giuseppe; Lundby, Carsten; Robach, Paul; Lippi, Giuseppe

    2011-01-01

    The influence of training and competition workloads is crucial for evaluation of longitudinal haematological data in athletes. There are only a few papers on the variation of haematological parameters during long-lasting periods and, especially, during an entire competitive season. We summarized that some haematological parameters can be influenced by long-term training and competition periods. Haemoglobin (Hb) and haematocrit (Ht) are decreased during the more intense periods of training, throughout the season. In different sport disciplines, the decline of Hb ranges from 3 to 8% during the competition season, while the range of reticulocytes (Ret%) varies from 5 to 21%. Reticulocytes are also decreased after long periods of training and competitions, but their variation is not necessarily associated with that of Hb. The qualitative variations (trend of modifications) of haematological parameters are roughly independent of the sport discipline, but quantitatively (amount of modifications) dependent on sport discipline. The modifications are more evident in cycling, running, swimming than they are in football and rugby. The variations of haematological parameters within the same sport discipline are qualitatively concordant and quantitatively different among separate but consecutive competitive seasons. These findings are described in aerobic and team sports sportsmen. The definition of reliable reference ranges in sportsmen would only be possible by following the best laboratory practices. For antidoping purposes more studies investigating haematological modifications during the season are advisable.

  16. Obtaining and estimating kinetic parameters from the literature.

    PubMed

    Neves, Susana R

    2011-09-13

    This Teaching Resource provides lecture notes, slides, and a student assignment for a lecture on strategies for the development of mathematical models. Many biological processes can be represented mathematically as systems of ordinary differential equations (ODEs). Simulations with these mathematical models can provide mechanistic insight into the underlying biology of the system. A prerequisite for running simulations, however, is the identification of kinetic parameters that correspond closely with the biological reality. This lecture presents an overview of the steps required for the development of kinetic ODE models and describes experimental methods that can yield kinetic parameters and concentrations of reactants, which are essential for the development of kinetic models. Strategies are provided to extract necessary parameters from published data. The homework assignment requires students to find parameters appropriate for a well-studied biological regulatory system, convert these parameters into appropriate units, and interpret how different values of these parameters may lead to different biological behaviors.

  17. Lunar Variation of Several Ionospheric Parameters.

    DTIC Science & Technology

    1981-09-30

    ALBERCA , J 0 CARDUS, E GALDON AFOSR-79-0114 UNCLASSIFIED SCIENTIFIC-Z EOARD-TR-212 ML 111a 11m I.8 II1JIL2 111.6__II MICROCOPY RESOLUTION TEST CHART...X4 SCIENTIFIC REPORT No 2 LUNAR VARIATION OF SEVERAL IONOSPHERIC PARAMETERS L. F. Alberca S. I. J. 0. Card6s 5.1. * E. Gald6n S.I1. * LLCTE... Alberca , e.I. J.O. Cardds, s.1. E. Gald6n, 8., OBSERVATORIO DEL EBR0 IONOSPHERIC SECTION ROQUETES (Tarragona) Spain THE RESEARCH REPORTED IN THIS

  18. UPRE method for total variation parameter selection

    SciTech Connect

    Wohlberg, Brendt; Lin, Youzuo

    2008-01-01

    Total Variation (TV) Regularization is an important method for solving a wide variety of inverse problems in image processing. In order to optimize the reconstructed image, it is important to choose the optimal regularization parameter. The Unbiased Predictive Risk Estimator (UPRE) has been shown to give a very good estimate of this parameter for Tikhonov Regularization. In this paper we propose an approach to extend UPRE method to the TV problem. However, applying the extended UPRE is impractical in the case of inverse problems such as de blurring, due to the large scale of the associated linear problem. We also propose an approach to reducing the large scale problem to a small problem, significantly reducing computational requirements while providing a good approximation to the original problem.

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

    PubMed

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

    2016-01-01

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

  20. Cell kinetics and biochemical parameters in breast cancer.

    PubMed

    Becciolini, A; Porciani, S; Balzi, M; Lanini, A; Scubla, E; Pacini, P; Benucci, A; Distante, V

    1992-01-01

    The study analyzes biochemical and cell kinetic parameters to characterize solid tumor growth in humans. The concentrations of polyamines, CEA, the thymidine labeling index (T.L.I.) and the mitotic index (M.I.) were determined on fragments of neoplastic tissue from 18 patients with breast carcinoma. Urinary polyamines were evaluated in the same patients. Two groups of patients were distinguished according to the median value of the with high T.L.I., M.I. and tissue polyamines were significantly higher than in the group with low T.L.I., whereas tissue CEA was lower, though in a not statistically significant way. Urinary polyamines showed no variations between groups. These preliminary results showed that T.L.I. levels were higher in patients who relapsed during a 4-year follow-up than in patients achieving complete remission and remaining disease free. Results concerning polyamine concentration showed that the tissue polyamine level in breast carcinoma indicated proliferative activity, but this does not seem to be valuable for current prognostic purposes.

  1. Breakdown parameter for kinetic modeling of multiscale gas flows.

    PubMed

    Meng, Jianping; Dongari, Nishanth; Reese, Jason M; Zhang, Yonghao

    2014-06-01

    Multiscale methods built purely on the kinetic theory of gases provide information about the molecular velocity distribution function. It is therefore both important and feasible to establish new breakdown parameters for assessing the appropriateness of a fluid description at the continuum level by utilizing kinetic information rather than macroscopic flow quantities alone. We propose a new kinetic criterion to indirectly assess the errors introduced by a continuum-level description of the gas flow. The analysis, which includes numerical demonstrations, focuses on the validity of the Navier-Stokes-Fourier equations and corresponding kinetic models and reveals that the new criterion can consistently indicate the validity of continuum-level modeling in both low-speed and high-speed flows at different Knudsen numbers.

  2. Determining Kinetic Parameters for Isothermal Crystallization of Glasses

    NASA Technical Reports Server (NTRS)

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

    2006-01-01

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

  3. Measurements of kinetic parameters in a microfluidic reactor.

    PubMed

    Kerby, Matthew B; Legge, Robert S; Tripathi, Anubhav

    2006-12-15

    Continuous flow microfluidic reactors that use immobilized components of enzymatic reactions present special challenges in interpretation of kinetic data. This study evaluates the difference between mass-transfer effects and reduced efficiencies of an enzyme reaction. The kinetic properties of immobilized alkaline phosphatase (AP) were measured by the dephosphorylation of 6,8-difluoro-4-methylumbelliferyl/phosphate to a fluorescent 6,8-difluoro-4-methylumbelliferone. A glass microfluidic chip with an in-channel weir was created for the capture of solid silica microbeads functionalized with enzyme. The input substrate concentrations and flow rates across the bed were varied to probe the flow-dependent transport and kinetic properties of the reaction in the microreactor bed. Unlike previous reactors, substrate was titrated directly over the fixed enzyme bed by controlling the air pressure over the chip reservoirs. The reactor explored substrate conversions from near zero to 100%. The average bed porosity, residence time, and bed resistance were measured with dye pulses. A simple criterion was derived to evaluate the importance of flow-dependent mass-transfer resistances when using microreactors for calculating kinetic rate constants. In the absence of mass-transfer resistances, the Michaelis-Menten kinetic parameters are shown to be flow independent and are appropriately predicted using low substrate conversion data. A comparison of the kinetic parameters with those obtained using solution-phase enzymatic reactions shows a significant decrease in enzyme activity in the immobilized conformation. The immobilized Km of AP is approximately 6 times greater while the kcat is reduced by approximately 28 times. Contradictions found in literature on the evaluation of Michaelis-Menten kinetic parameters for immobilized enzymes in microfluidic reactors are addressed. When product molecules occupy a significant number of enzymatic sites or modify the enzyme activity, the assumed

  4. Devolatilization kinetic parameters of beneficiated coal-based products

    SciTech Connect

    Patel, R.L.; Nsakala, N.Y.; Raymond, D.R.; Hargrove, M.J.

    1993-12-31

    A comprehensive program sponsored by the Department of Energy`s Pittsburgh Energy Technology Center (PETC) is being carried out by Combustion Engineering, Inc. (CE), to assess the performance and economic impacts of firing beneficiated coal-based fuels (BCFs) in pre-NSPS coal-fired boilers and existing oil and gas fired boilers. The BCFs are produced from several advanced coal cleaning processes developed by other contractors under the DOE Coal Preparation Program. CE`s laminar-flow Drop Tube Furnace System-1 (DTFS-1) was used to test six BCFs produced from three Eastern bituminous coals (from Illinois No. 6, Pittsburgh 18 and Upper Freeport seams) in two advanced coal cleaning processes (microbubble Flotation Process and Selective Oil Agglomeration Process). Testing consisted of thermally decomposing size-graded BCF products in nitrogen atmosphere in the 1900-2650{degrees}F temperature range and residence times of up to about 0.8 sec. These data were used to derive the devolatilization kinetic parameters of the BCF products. Oxidation kinetic parameters also had been derived in the DTFS-1 from these six fuels. Test conditions under all circumstances were designed to simulate some of the conditions prevailing in suspension firing of pulverized coal. This paper summarizes the devolatilization kinetic parameter results obtained from this study. The results are compared with those obtained previously in this laboratory and with some of the results presented in the open literature. These devolatilization kinetic parameters are of generic nature and, as such, can be used by anyone engaged in mathematical modeling of combustion processes.

  5. Reconstruction of linear kinetic parameters directly from projection PET data

    NASA Astrophysics Data System (ADS)

    Angelis, G. I.; Tziortzi, A. C.; Tsoumpas, C.

    2011-09-01

    Dynamic Positron Emission Tomography (PET) data provide functional information. Usually, this is measured in the form of pharmacokinetic parameters derived from the temporal response of each region. Recent trends have shown that when pharmacokinetic parameters are estimated directly from the projection data, they are less affected by noise. This work investigates an existing parametric maximum likelihood expectation maximization algorithm applied to [18F]DOPA data using reference-tissue input function. The study reveals how direct reconstruction of pharmacokinetic parameters from the measured data can be performed optimally. It explains how to optimize the speed of the standard iterative algorithm and it compares the results with the existing FBP method. The improvement of the quality of the parametric images preserving quantification suggests the usefulness of direct estimation of the kinetic parameters. This algorithm is freely available within the open-source library STIR 2.1.

  6. Kinetic analysis of several variations of push-ups.

    PubMed

    Ebben, William P; Wurm, Bradley; VanderZanden, Tyler L; Spadavecchia, Mark L; Durocher, John J; Bickham, Curtis T; Petushek, Erich J

    2011-10-01

    Push-ups are a common and practical exercise that is used to enhance fitness, including upper body strength or endurance. The kinetic characteristics of push-ups and its variations are yet to be quantified. Kinetic quantification is necessary to accurately evaluate the training load, and thus the nature of the training stimulus, for these exercise variations. This study assessed the peak vertical ground reaction forces (GRFs) of push-up variations including the regular push-up and those performed with flexed knee, feet elevated on a 30.48-cm box, and a 60.96-cm box, and hands elevated on a 30.48-cm box and a 60.96-cm box. Twenty-three recreationally fit individuals (14 men, 9 women) performed each of the 6 push-up variations in a randomized order. Peak GRF and peak GRF expressed as a coefficient of subject body mass were obtained with a force platform. Push-ups with the feet elevated produced a higher GRF than all other push-up variations (p ≤ 0.05). Push-ups with hands elevated and push-ups from the flexed knee position produced a lower GRF than all other push-up variations (p ≤ 0.05). No gender differences in response to these push-up variations were found (p > 0.05). Additionally, subject height was not related to the GRF for any of the push-up conditions (p > 0.05) other than the condition where hands were elevated on a 60.96-cm box (p ≤ 0.05; r = 0.63). These data can be used to progress the intensity of push-ups in a program and to quantify the training load as a percentage of body mass.

  7. Effect of experimental and sample factors on dehydration kinetics of mildronate dihydrate: mechanism of dehydration and determination of kinetic parameters.

    PubMed

    Bērziņš, Agris; Actiņš, Andris

    2014-06-01

    The dehydration kinetics of mildronate dihydrate [3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propionate dihydrate] was analyzed in isothermal and nonisothermal modes. The particle size, sample preparation and storage, sample weight, nitrogen flow rate, relative humidity, and sample history were varied in order to evaluate the effect of these factors and to more accurately interpret the data obtained from such analysis. It was determined that comparable kinetic parameters can be obtained in both isothermal and nonisothermal mode. However, dehydration activation energy values obtained in nonisothermal mode showed variation with conversion degree because of different rate-limiting step energy at higher temperature. Moreover, carrying out experiments in this mode required consideration of additional experimental complications. Our study of the different sample and experimental factor effect revealed information about changes of the dehydration rate-limiting step energy, variable contribution from different rate limiting steps, as well as clarified the dehydration mechanism. Procedures for convenient and fast determination of dehydration kinetic parameters were offered.

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

    PubMed

    Emami, Fereshteh; Maeder, Marcel; Abdollahi, Hamid

    2015-05-07

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

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

    NASA Technical Reports Server (NTRS)

    Schmid, L. A.

    1977-01-01

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

  10. Thermodynamic criteria for estimating the kinetic parameters of catalytic reactions

    NASA Astrophysics Data System (ADS)

    Mitrichev, I. I.; Zhensa, A. V.; Kol'tsova, E. M.

    2017-01-01

    Kinetic parameters are estimated using two criteria in addition to the traditional criterion that considers the consistency between experimental and modeled conversion data: thermodynamic consistency and the consistency with entropy production (i.e., the absolute rate of the change in entropy due to exchange with the environment is consistent with the rate of entropy production in the steady state). A special procedure is developed and executed on a computer to achieve the thermodynamic consistency of a set of kinetic parameters with respect to both the standard entropy of a reaction and the standard enthalpy of a reaction. A problem of multi-criterion optimization, reduced to a single-criterion problem by summing weighted values of the three criteria listed above, is solved. Using the reaction of NO reduction with CO on a platinum catalyst as an example, it is shown that the set of parameters proposed by D.B. Mantri and P. Aghalayam gives much worse agreement with experimental values than the set obtained on the basis of three criteria: the sum of the squares of deviations for conversion, the thermodynamic consistency, and the consistency with entropy production.

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

    PubMed

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

    2015-08-01

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

  12. Vibroacoustic test plan evaluation: Parameter variation study

    NASA Technical Reports Server (NTRS)

    Stahle, C. V.; Gongloef, H. R.

    1976-01-01

    Statistical decision models are shown to provide a viable method of evaluating the cost effectiveness of alternate vibroacoustic test plans and the associated test levels. The methodology developed provides a major step toward the development of a realistic tool to quantitatively tailor test programs to specific payloads. Testing is considered at the no test, component, subassembly, or system level of assembly. Component redundancy and partial loss of flight data are considered. Most and probabilistic costs are considered, and incipient failures resulting from ground tests are treated. Optimums defining both component and assembly test levels are indicated for the modified test plans considered. modeling simplifications must be considered in interpreting the results relative to a particular payload. New parameters introduced were a no test option, flight by flight failure probabilities, and a cost to design components for higher vibration requirements. Parameters varied were the shuttle payload bay internal acoustic environment, the STS launch cost, the component retest/repair cost, and the amount of redundancy in the housekeeping section of the payload reliability model.

  13. Parameter Optimization of Nitriding Process Using Chemical Kinetics

    NASA Astrophysics Data System (ADS)

    Özdemir, İ. Bedii; Akar, Firat; Lippmann, Nils

    2016-12-01

    Using the dynamics of chemical kinetics, an investigation to search for an optimum condition for a gas nitriding process is performed over the solution space spanned by the initial temperature and gas composition of the furnace. For a two-component furnace atmosphere, the results are presented in temporal variations of gas concentrations and the nitrogen coverage on the surface. It seems that the exploitation of the nitriding kinetics can provide important feedback for setting the model-based control algorithms. The present work shows that when the nitrogen gas concentration is not allowed to exceed 6 pct, the Nad coverage can attain maximum values as high as 0.97. The time evolution of the Nad coverage also reveals that, as long as the temperature is above the value where nitrogen poisoning of the surface due to the low-temperature adsorption of excess nitrogen occurs, the initial ammonia content in the furnace atmosphere is much more important in the nitriding process than is the initial temperature.

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

    SciTech Connect

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

    2012-01-01

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

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

    NASA Astrophysics Data System (ADS)

    Khonde, Ruta Dhanram; Chaurasia, Ashish Subhash

    2015-04-01

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

  16. Heterogeneity of kinetic curve parameters as indicator for the malignancy of breast lesions in DCE MRI

    NASA Astrophysics Data System (ADS)

    Buelow, Thomas; Saalbach, Axel; Bergtholdt, Martin; Wiemker, Rafael; Buurman, Hans; Arbash Meinel, Lina; Newstead, Gillian

    2010-03-01

    Dynamic contrast enhanced Breast MRI (DCE BMRI) has emerged as powerful tool in the diagnostic work-up of breast cancer. While DCE BMRI is very sensitive, specificity remains to be an issue. Consequently, there is a need for features that support the classification of enhancing lesions into benign and malignant lesions. Traditional features include the morphology and the texture of a lesion, as well as the kinetic parameters of the time-intensity curves, i.e., the temporal change of image intensity at a given location. The kinetic parameters include initial contrast uptake of a lesion and the type of the kinetic curve. The curve type is usually assigned to one of three classes: persistent enhancement (Type I), plateau (Type II), and washout (Type III). While these curve types show a correlation with the tumor type (benign or malignant), only a small sub-volume of the lesion is taken into consideration and the curve type will depend on the location of the ROI that was used to generate the kinetic curve. Furthermore, it has been shown that the curve type significantly depends on which MR scanner was used as well as on the scan parameters. Recently, it was shown that the heterogeneity of a given lesion with respect to spatial variation of the kinetic curve type is a clinically significant indicator for malignancy of a tumor. In this work we compare four quantitative measures for the degree of heterogeneity of the signal enhancement ratio in a tumor and evaluate their ability of predicting the dignity of a tumor. All features are shown to have an area under the ROC curve of between 0.63 and 0.78 (for a single feature).

  17. Identification of hydrological model parameter variation using ensemble Kalman filter

    NASA Astrophysics Data System (ADS)

    Deng, Chao; Liu, Pan; Guo, Shenglian; Li, Zejun; Wang, Dingbao

    2016-12-01

    Hydrological model parameters play an important role in the ability of model prediction. In a stationary context, parameters of hydrological models are treated as constants; however, model parameters may vary with time under climate change and anthropogenic activities. The technique of ensemble Kalman filter (EnKF) is proposed to identify the temporal variation of parameters for a two-parameter monthly water balance model (TWBM) by assimilating the runoff observations. Through a synthetic experiment, the proposed method is evaluated with time-invariant (i.e., constant) parameters and different types of parameter variations, including trend, abrupt change and periodicity. Various levels of observation uncertainty are designed to examine the performance of the EnKF. The results show that the EnKF can successfully capture the temporal variations of the model parameters. The application to the Wudinghe basin shows that the water storage capacity (SC) of the TWBM model has an apparent increasing trend during the period from 1958 to 2000. The identified temporal variation of SC is explained by land use and land cover changes due to soil and water conservation measures. In contrast, the application to the Tongtianhe basin shows that the estimated SC has no significant variation during the simulation period of 1982-2013, corresponding to the relatively stationary catchment properties. The evapotranspiration parameter (C) has temporal variations while no obvious change patterns exist. The proposed method provides an effective tool for quantifying the temporal variations of the model parameters, thereby improving the accuracy and reliability of model simulations and forecasts.

  18. On a variational approach to some parameter estimation problems

    NASA Technical Reports Server (NTRS)

    Banks, H. T.

    1985-01-01

    Examples (1-D seismic, large flexible structures, bioturbation, nonlinear population dispersal) in which a variation setting can provide a convenient framework for convergence and stability arguments in parameter estimation problems are considered. Some of these examples are 1-D seismic, large flexible structures, bioturbation, and nonlinear population dispersal. Arguments for convergence and stability via a variational approach of least squares formulations of parameter estimation problems for partial differential equations is one aspect of the problem considered.

  19. Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations

    NASA Astrophysics Data System (ADS)

    Wu, Hao; Nüske, Feliks; Paul, Fabian; Klus, Stefan; Koltai, Péter; Noé, Frank

    2017-04-01

    Markov state models (MSMs) and master equation models are popular approaches to approximate molecular kinetics, equilibria, metastable states, and reaction coordinates in terms of a state space discretization usually obtained by clustering. Recently, a powerful generalization of MSMs has been introduced, the variational approach conformation dynamics/molecular kinetics (VAC) and its special case the time-lagged independent component analysis (TICA), which allow us to approximate slow collective variables and molecular kinetics by linear combinations of smooth basis functions or order parameters. While it is known how to estimate MSMs from trajectories whose starting points are not sampled from an equilibrium ensemble, this has not yet been the case for TICA and the VAC. Previous estimates from short trajectories have been strongly biased and thus not variationally optimal. Here, we employ the Koopman operator theory and the ideas from dynamic mode decomposition to extend the VAC and TICA to non-equilibrium data. The main insight is that the VAC and TICA provide a coefficient matrix that we call Koopman model, as it approximates the underlying dynamical (Koopman) operator in conjunction with the basis set used. This Koopman model can be used to compute a stationary vector to reweight the data to equilibrium. From such a Koopman-reweighted sample, equilibrium expectation values and variationally optimal reversible Koopman models can be constructed even with short simulations. The Koopman model can be used to propagate densities, and its eigenvalue decomposition provides estimates of relaxation time scales and slow collective variables for dimension reduction. Koopman models are generalizations of Markov state models, TICA, and the linear VAC and allow molecular kinetics to be described without a cluster discretization.

  20. A Theoretical Analysis for Assessing the Variability of Secondary Model Thermal Inactivation Kinetic Parameters

    PubMed Central

    Giannakourou, Maria C.; Stoforos, Nikolaos G.

    2017-01-01

    Traditionally, for the determination of the kinetic parameters of thermal inactivation of a heat labile substance, an appropriate index is selected and its change is measured over time at a series of constant temperatures. The rate of this change is described through an appropriate primary model and a secondary model is applied to assess the impact of temperature. By this approach, the confidence intervals of the estimates of the rate constants are not taken into account. Consequently, the calculated variability of the secondary model parameters can be significantly lower than the actual variability. The aim of this study was to demonstrate the influence of the variability of the primary model parameters in establishing the confidence intervals of the secondary model parameters. Using a Monte Carlo technique and assuming normally distributed DT values (parameter associated with a primary inactivation model), the error propagating on the DTref and z-values (secondary model parameters) was assessed. When DT confidence intervals were broad, the secondary model’s parameter variability was appreciably high and could not be adequately estimated through the traditional deterministic approach that does not take into account the variation on the DT values. In such cases, the proposed methodology was essential for realistic estimations. PMID:28231086

  1. Kinetic comparisons during variations of the power clean.

    PubMed

    Comfort, Paul; Allen, Mark; Graham-Smith, Phillip

    2011-12-01

    Comfort, P, Allen, M, and Graham-Smith, P. Kinetic comparisons during variations of the power clean. J Strength Cond Res 25(12): 3269-3273, 2011-The aim of this investigation was to determine the differences in peak power, peak vertical ground reaction forces, and rate of force development (RFD) during variations of the power clean. Elite rugby league players (n = 16; age 22 ± 1.58 years; height 182.25 ± 2.81 cm; body mass 98.65 ± 7.52 kg) performed 1 set of 3 repetitions of the power clean, hang power clean, midthigh power clean, or midthigh clean pull, using 60% of 1 repetition maximum power clean, in a randomized order, while standing on a force platform. One-way analysis of variance with Bonferroni post hoc analysis revealed a significantly (p < 0.001) greater peak power output during the midthigh power clean (3,565.7 ± 410.6 W) and the midthigh clean pull (3,686.8 ± 386.5 W) compared with both the power clean (2,591.2 ± 645.5 W) and the hang power clean (3,183.6 ± 309.1 W), along with a significantly (p < 0.001) greater peak Fz during the midthigh power clean (2,813.8 ± 200.5 N) and the midthigh clean pull (2,901.3 ± 226.1 N) compared with both the power clean (2,264.1 ± 199.6 N) and the hang power clean (2,479.3 ± 267.6 N). The midthigh power clean (15,049.8 ± 4,415.7 N·s) and the midthigh clean pull (15,623.6 ± 3,114.4 N·s) also demonstrated significantly (p < 0.001) greater instantaneous RFD when compared with both the power clean (8,657.9 ± 2,746.6 N·s) and the hang power clean (10,314.4 ± 4,238.2 N·s). From the findings of this study, when training to maximize power, Fz, and RFD, the midthigh power clean and midthigh clean pull appear to be the most advantageous variations of the power clean to perform.

  2. A design method for minimizing sensitivity to plant parameter variations

    NASA Technical Reports Server (NTRS)

    Hadass, Z.; Powell, J. D.

    1974-01-01

    A method is described for minimizing the sensitivity of multivariable systems to parameter variations. The variable parameters are considered as random variables and their effect is included in a quadratic performance index. The performance index is a weighted sum of the state and control covariances that stem from both the random system disturbances and the parameter uncertainties. The numerical solution of the problem is described and application of the method to several initially sensitive tracking systems is discussed. The sensitivity factor of reduction was typically 2 or 3 over a system based on random system noise only, and yet resulted in state RMS increases of only about a factor of two.

  3. Investigating Molecular Kinetics by Variationally Optimized Diffusion Maps.

    PubMed

    Boninsegna, Lorenzo; Gobbo, Gianpaolo; Noé, Frank; Clementi, Cecilia

    2015-12-08

    Identification of the collective coordinates that describe rare events in complex molecular transitions such as protein folding has been a key challenge in the theoretical molecular sciences. In the Diffusion Map approach, one assumes that the molecular configurations sampled have been generated by a diffusion process, and one uses the eigenfunctions of the corresponding diffusion operator as reaction coordinates. While diffusion coordinates (DCs) appear to provide a good approximation to the true dynamical reaction coordinates, they are not parametrized using dynamical information. Thus, their approximation quality could not, as yet, be validated, nor could the diffusion map eigenvalues be used to compute relaxation rate constants of the system. Here we combine the Diffusion Map approach with the recently proposed Variational Approach for Conformation Dynamics (VAC). Diffusion Map coordinates are used as a basis set, and their optimal linear combination is sought using the VAC, which employs time-correlation information on the molecular dynamics (MD) trajectories. We have applied this approach to ultra-long MD simulations of the Fip35 WW domain and found that the first DCs are indeed a good approximation to the true reaction coordinates of the system, but they could be further improved using the VAC. Using the Diffusion Map basis, excellent approximations to the relaxation rates of the system are obtained. Finally, we evaluate the quality of different metric spaces and find that pairwise minimal root-mean-square deviation performs poorly, while operating in the recently introduced kinetic maps based on the time-lagged independent component analysis gives the best performance.

  4. A variational approach to parameter estimation in ordinary differential equations.

    PubMed

    Kaschek, Daniel; Timmer, Jens

    2012-08-14

    Ordinary differential equations are widely-used in the field of systems biology and chemical engineering to model chemical reaction networks. Numerous techniques have been developed to estimate parameters like rate constants, initial conditions or steady state concentrations from time-resolved data. In contrast to this countable set of parameters, the estimation of entire courses of network components corresponds to an innumerable set of parameters. The approach presented in this work is able to deal with course estimation for extrinsic system inputs or intrinsic reactants, both not being constrained by the reaction network itself. Our method is based on variational calculus which is carried out analytically to derive an augmented system of differential equations including the unconstrained components as ordinary state variables. Finally, conventional parameter estimation is applied to the augmented system resulting in a combined estimation of courses and parameters. The combined estimation approach takes the uncertainty in input courses correctly into account. This leads to precise parameter estimates and correct confidence intervals. In particular this implies that small motifs of large reaction networks can be analysed independently of the rest. By the use of variational methods, elements from control theory and statistics are combined allowing for future transfer of methods between the two fields.

  5. A variational approach to parameter estimation in ordinary differential equations

    PubMed Central

    2012-01-01

    Background Ordinary differential equations are widely-used in the field of systems biology and chemical engineering to model chemical reaction networks. Numerous techniques have been developed to estimate parameters like rate constants, initial conditions or steady state concentrations from time-resolved data. In contrast to this countable set of parameters, the estimation of entire courses of network components corresponds to an innumerable set of parameters. Results The approach presented in this work is able to deal with course estimation for extrinsic system inputs or intrinsic reactants, both not being constrained by the reaction network itself. Our method is based on variational calculus which is carried out analytically to derive an augmented system of differential equations including the unconstrained components as ordinary state variables. Finally, conventional parameter estimation is applied to the augmented system resulting in a combined estimation of courses and parameters. Conclusions The combined estimation approach takes the uncertainty in input courses correctly into account. This leads to precise parameter estimates and correct confidence intervals. In particular this implies that small motifs of large reaction networks can be analysed independently of the rest. By the use of variational methods, elements from control theory and statistics are combined allowing for future transfer of methods between the two fields. PMID:22892133

  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. Classical nucleation theory of homogeneous freezing of water: thermodynamic and kinetic parameters.

    PubMed

    Ickes, Luisa; Welti, André; Hoose, Corinna; Lohmann, Ulrike

    2015-02-28

    The probability of homogeneous ice nucleation under a set of ambient conditions can be described by nucleation rates using the theoretical framework of Classical Nucleation Theory (CNT). This framework consists of kinetic and thermodynamic parameters, of which three are not well-defined (namely the interfacial tension between ice and water, the activation energy and the prefactor), so that any CNT-based parameterization of homogeneous ice formation is less well-constrained than desired for modeling applications. Different approaches to estimate the thermodynamic and kinetic parameters of CNT are reviewed in this paper and the sensitivity of the calculated nucleation rate to the choice of parameters is investigated. We show that nucleation rates are very sensitive to this choice. The sensitivity is governed by one parameter - the interfacial tension between ice and water, which determines the energetic barrier of the nucleation process. The calculated nucleation rate can differ by more than 25 orders of magnitude depending on the choice of parameterization for this parameter. The second most important parameter is the activation energy of the nucleation process. It can lead to a variation of 16 orders of magnitude. By estimating the nucleation rate from a collection of droplet freezing experiments from the literature, the dependence of these two parameters on temperature is narrowed down. It can be seen that the temperature behavior of these two parameters assumed in the literature does not match with the predicted nucleation rates from the fit in most cases. Moreover a comparison of all possible combinations of theoretical parameterizations of the dominant two free parameters shows that one combination fits the fitted nucleation rates best, which is a description of the interfacial tension coming from a molecular model [Reinhardt and Doye, J. Chem. Phys., 2013, 139, 096102] in combination with the activation energy derived from self-diffusion measurements [Zobrist

  8. Additional Investigations of Ice Shape Sensitivity to Parameter Variations

    NASA Technical Reports Server (NTRS)

    Miller, Dean R.; Potapczuk, Mark G.; Langhals, Tammy J.

    2006-01-01

    A second parameter sensitivity study was conducted at the NASA Glenn Research Center's Icing Research Tunnel (IRT) using a 36 in. chord (0.91 m) NACA-0012 airfoil. The objective of this work was to further investigate the feasibility of using ice shape feature changes to define requirements for the simulation and measurement of SLD and appendix C icing conditions. A previous study concluded that it was feasible to use changes in ice shape features (e.g., ice horn angle, ice horn thickness, and ice shape mass) to detect relatively small variations in icing spray condition parameters (LWC, MVD, and temperature). The subject of this current investigation extends the scope of this previous work, by also examining the effect of icing tunnel spray-bar parameter variations (water pressure, air pressure) on ice shape feature changes. The approach was to vary spray-bar water pressure and air pressure, and then evaluate the effects of these parameter changes on the resulting ice shapes. This paper will provide a description of the experimental method, present selected experimental results, and conclude with an evaluation of these results.

  9. Parameter Estimates in Differential Equation Models for Chemical Kinetics

    ERIC Educational Resources Information Center

    Winkel, Brian

    2011-01-01

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

  10. Parameter Estimates in Differential Equation Models for Chemical Kinetics

    ERIC Educational Resources Information Center

    Winkel, Brian

    2011-01-01

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

  11. Computation of photovoltaic parameters under lunar temperature variation

    NASA Technical Reports Server (NTRS)

    Dhere, Neelkanth G.; Santiago, James V.

    1993-01-01

    Photovoltaic (PV) arrays with regenerative-fuel-cell energy storage is a prime, power-system candidate for lunar photo-power. The PV module performance decreases at higher temperatures. Surface temperature variations of the moon are extreme, the maximum (noon) temperature being 384 K. The present work utilizes detailed computations of photovoltaic parameters with computer program developed earlier for the computation of optimum bandgaps of single- and two-junction solar cells at different temperatures, and calculates the power output of single and two-junction solar modules under different configurations which constitutes an improvement over the assumption of a linear variation of efficiency with temperature. The program also calculates the necessary PV-array size to satisfy stipulated levels of day- and night-time power consumption.

  12. Simulation of the interannual variations of aerosols in China: role of variations in meteorological parameters

    NASA Astrophysics Data System (ADS)

    Mu, Q.; Liao, H.

    2014-05-01

    We used the nested grid version of the global three-dimensional Goddard Earth Observing System chemical transport model (GEOS-Chem) to examine the interannual variations (IAVs) of aerosols over heavily polluted regions in China for years 2004-2012. The role of variations in meteorological parameters was quantified by a simulation with fixed anthropogenic emissions at year 2006 levels and changes in meteorological parameters over 2004-2012. Simulated PM2.5 (particles with a diameter of 2.5 μm or less) aerosol concentrations exhibited large IAVs in North China (NC, 32-42° N, 110-120° E), with regionally averaged absolute percent departure from the mean (APDM) values of 17, 14, 14, and 11% in December-January-February (DJF), March-April-May (MAM), June-July-August (JJA), and September-October-November (SON), respectively. Over South China (SC, 22-32° N, 110-120° E), the IAVs in PM2.5 were found to be the largest in JJA, with the regional mean APDM values of 14% in JJA and of about 9% in other seasons. Concentrations of PM2.5 over the Sichuan Basin (SCB, 27-33° N, 102-110° E) were simulated to have the smallest IAVs among the polluted regions examined in this work, with the APDM values of 8-9% in all seasons. All aerosol species (sulfate, nitrate, ammonium, black carbon, and organic carbon) were simulated to have the largest IAVs over NC in DJF, corresponding to the large variations in meteorological parameters over NC in this season. Process analyses were performed to identify the key meteorological parameters that determined the IAVs of different aerosol species in different regions. While the variations in temperature and specific humidity, which influenced the gas-phase formation of sulfate, jointly determined the IAVs of sulfate over NC in both DJF and JJA, wind (or convergence of wind) in DJF and precipitation in JJA were the dominant meteorological factors to influence IAVs of sulfate over SC and the SCB. The IAVs in temperature and specific humidity

  13. Quantification of morphologic, cytologic, and kinetic parameters of unirradiated swine skin: a histologic model

    SciTech Connect

    Archambeau, J.O.; Bennett, G.W.

    1984-05-01

    This study determines multiple histologic and cell kinetic parameters of unirradiated swine skin. The prickle cell layer exists as a shell three to six cells thick. The proliferative basal layer exists as a confluent monolayer with 2031 +/- 48 cells/cm; it has delta growth fraction of 1, an average cell generation time of 12 days, a T/sub s/ of 9 hr, and a T/sub s/ + T/sub G2/ + T/sub 1/2M/ of 17 to 19 hr. The labeling index is 3.9% with a diurnal variation having a 5% peak at 1800 hr and a 2.5% nadir at 0900-1100 hr. The mitotic index varies from 1.7 to 3.2% and has no clear-cut diurnal variation. These values are similar to those available for man. These data and those published previously are utilized to define a histologic model of the irradiated epidermal cell renewal system. These measured values are compared with those derived from analysis of available time-dose isoeffect data using a single-hit multitarget and a linear-quadratic model.

  14. Kinetic parameter estimation model for anaerobic co-digestion of waste activated sludge and microalgae.

    PubMed

    Lee, Eunyoung; Cumberbatch, Jewel; Wang, Meng; Zhang, Qiong

    2017-03-01

    Anaerobic co-digestion has a potential to improve biogas production, but limited kinetic information is available for co-digestion. This study introduced regression-based models to estimate the kinetic parameters for the co-digestion of microalgae and Waste Activated Sludge (WAS). The models were developed using the ratios of co-substrates and the kinetic parameters for the single substrate as indicators. The models were applied to the modified first-order kinetics and Monod model to determine the rate of hydrolysis and methanogenesis for the co-digestion. The results showed that the model using a hyperbola function was better for the estimation of the first-order kinetic coefficients, while the model using inverse tangent function closely estimated the Monod kinetic parameters. The models can be used for estimating kinetic parameters for not only microalgae-WAS co-digestion but also other substrates' co-digestion such as microalgae-swine manure and WAS-aquatic plants.

  15. Variational Bayesian Parameter Estimation Techniques for the General Linear Model

    PubMed Central

    Starke, Ludger; Ostwald, Dirk

    2017-01-01

    Variational Bayes (VB), variational maximum likelihood (VML), restricted maximum likelihood (ReML), and maximum likelihood (ML) are cornerstone parametric statistical estimation techniques in the analysis of functional neuroimaging data. However, the theoretical underpinnings of these model parameter estimation techniques are rarely covered in introductory statistical texts. Because of the widespread practical use of VB, VML, ReML, and ML in the neuroimaging community, we reasoned that a theoretical treatment of their relationships and their application in a basic modeling scenario may be helpful for both neuroimaging novices and practitioners alike. In this technical study, we thus revisit the conceptual and formal underpinnings of VB, VML, ReML, and ML and provide a detailed account of their mathematical relationships and implementational details. We further apply VB, VML, ReML, and ML to the general linear model (GLM) with non-spherical error covariance as commonly encountered in the first-level analysis of fMRI data. To this end, we explicitly derive the corresponding free energy objective functions and ensuing iterative algorithms. Finally, in the applied part of our study, we evaluate the parameter and model recovery properties of VB, VML, ReML, and ML, first in an exemplary setting and then in the analysis of experimental fMRI data acquired from a single participant under visual stimulation. PMID:28966572

  16. 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

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

    NASA Astrophysics Data System (ADS)

    Brito, Paula; Antunes, Fernando

    2014-10-01

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

  18. Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategies.

    PubMed

    Deganutti, Giuseppe; Moro, Stefano

    2017-03-31

    Kinetic and thermodynamic ligand-protein binding parameters are gaining growing importance as key information to consider in drug discovery. The determination of the molecular structures, using particularly x-ray and NMR techniques, is crucial for understanding how a ligand recognizes its target in the final binding complex. However, for a better understanding of the recognition processes, experimental studies of ligand-protein interactions are needed. Even though several techniques can be used to investigate both thermodynamic and kinetic profiles for a ligand-protein complex, these procedures are very often laborious, time consuming and expensive. In the last 10 years, computational approaches have enormous potential in providing insights into each of the above effects and in parsing their contributions to the changes in both kinetic and thermodynamic binding parameters. The main purpose of this review is to summarize the state of the art of computational strategies for estimating the kinetic and thermodynamic parameters of a ligand-protein binding.

  19. Determining the Kinetic Parameters Characteristic of Microalgal Growth.

    ERIC Educational Resources Information Center

    Martinez Sancho, Maria Eugenie; And Others

    1991-01-01

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

  20. Determining the Kinetic Parameters Characteristic of Microalgal Growth.

    ERIC Educational Resources Information Center

    Martinez Sancho, Maria Eugenie; And Others

    1991-01-01

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

  1. Anisotropic parameter estimation using velocity variation with offset analysis

    SciTech Connect

    Herawati, I.; Saladin, M.; Pranowo, W.; Winardhie, S.; Priyono, A.

    2013-09-09

    Seismic anisotropy is defined as velocity dependent upon angle or offset. Knowledge about anisotropy effect on seismic data is important in amplitude analysis, stacking process and time to depth conversion. Due to this anisotropic effect, reflector can not be flattened using single velocity based on hyperbolic moveout equation. Therefore, after normal moveout correction, there will still be residual moveout that relates to velocity information. This research aims to obtain anisotropic parameters, ε and δ, using two proposed methods. The first method is called velocity variation with offset (VVO) which is based on simplification of weak anisotropy equation. In VVO method, velocity at each offset is calculated and plotted to obtain vertical velocity and parameter δ. The second method is inversion method using linear approach where vertical velocity, δ, and ε is estimated simultaneously. Both methods are tested on synthetic models using ray-tracing forward modelling. Results show that δ value can be estimated appropriately using both methods. Meanwhile, inversion based method give better estimation for obtaining ε value. This study shows that estimation on anisotropic parameters rely on the accuracy of normal moveout velocity, residual moveout and offset to angle transformation.

  2. 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.

  3. 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.

  4. Determination of Kinetic Parameters from Steady-State Microdisk Voltammograms

    DTIC Science & Technology

    1988-01-01

    characteristic parameters of voltammetric curves (i.e., constants without special expertise, instruments, or mathematical limiting current, half -wave...was then used to calculate based and subjects suitable data to alternative ways of analysis. the reversible half -wave potential (eq 14) assuming DR/Do...apparent half -wave potential to more positive values (for oxidations) and decreases the slope and lineant, Irk 0of the plot. Equation II may be used in two

  5. Calculation of statistic estimates of kinetic parameters from substrate uncompetitive inhibition equation using the median method.

    PubMed

    Valencia, Pedro L; Astudillo-Castro, Carolina; Gajardo, Diego; Flores, Sebastián

    2017-04-01

    We provide initial rate data from enzymatic reaction experiments and tis processing to estimate the kinetic parameters from the substrate uncompetitive inhibition equation using the median method published by Eisenthal and Cornish-Bowden (Cornish-Bowden and Eisenthal, 1974; Eisenthal and Cornish-Bowden, 1974). The method was denominated the direct linear plot and consists in the calculation of the median from a dataset of kinetic parameters Vmax and Km from the Michaelis-Menten equation. In this opportunity we present the procedure to applicate the direct linear plot to the substrate uncompetitive inhibition equation; a three-parameter equation. The median method is characterized for its robustness and its insensibility to outlier. The calculations are presented in an Excel datasheet and a computational algorithm was developed in the free software Python. The kinetic parameters of the substrate uncompetitive inhibition equation Vmax , Km and Ks were calculated using three experimental points from the dataset formed by 13 experimental points. All the 286 combinations were calculated. The dataset of kinetic parameters resulting from this combinatorial was used to calculate the median which corresponds to the statistic estimator of the real kinetic parameters. A comparative statistical analyses between the median method and the least squares was published in Valencia et al. [3].

  6. Seasonal variations of grounding parameters by field tests

    SciTech Connect

    Patel, S.G.

    1992-07-01

    The past fifteen years have seen considerable research in the area of substation grounding design, analysis and testing. These research include the revision of the IEEE Std.-80, the development of PC based computer programs, the in depth analysis of grounding parameters and the development of new field testing methods and devices. In spite of these advances, several questions were often asked, primarily due to safety concerns. The questions were related to the seasonal variation of critical grounding parameters such as the soil and gravel resistivities and their influence on the body current in an accidental circuit. There was also a need to study the total behavior of a substation ground grid with respect to different weather conditions by performing field tests. In response to the above needs, a comprehensive field test program was developed and implemented. The field test consisted of flowing approximately 150 amperes through the Texas Valley ground grid from a remote substation. The parameters investigated in this project were the grid impedance, the grid potential rise (GPR) , the fault current distribution, the touch/step voltages, the body current on different gravel beds and the soil/gravel resistivities. The measurements were performed in the rainy, winter and summer weather conditions during 1989--1990. The field test results, overall, indicate that the rainy weather is the worst condition for the substation safety because of the substantial reduction in the protective characteristics of the gravel. Among the gravel types, the washed gravel has much superior protective characteristics compared to the crusher run type of gravel. A comparison of SGSYS computed grounding parameters with measured results indicates that the grid resistance and GPR compare well but the computed touch voltage and body current are substantially higher than the measured values.

  7. Methods for Calibration of Prout-Tompkins Kinetics Parameters Using EZM Iteration and GLO

    SciTech Connect

    Wemhoff, A P; Burnham, A K; de Supinski, B; Sexton, J; Gunnels, J

    2006-11-07

    This document contains information regarding the standard procedures used to calibrate chemical kinetics parameters for the extended Prout-Tompkins model to match experimental data. Two methods for calibration are mentioned: EZM calibration and GLO calibration. EZM calibration matches kinetics parameters to three data points, while GLO calibration slightly adjusts kinetic parameters to match multiple points. Information is provided regarding the theoretical approach and application procedure for both of these calibration algorithms. It is recommended that for the calibration process, the user begin with EZM calibration to provide a good estimate, and then fine-tune the parameters using GLO. Two examples have been provided to guide the reader through a general calibrating process.

  8. Estimation of kinetic model parameters in fluorescence optical diffusion tomography.

    PubMed

    Milstein, Adam B; Webb, Kevin J; Bouman, Charles A

    2005-07-01

    We present a technique for reconstructing the spatially dependent dynamics of a fluorescent contrast agent in turbid media. The dynamic behavior is described by linear and nonlinear parameters of a compartmental model or some other model with a deterministic functional form. The method extends our previous work in fluorescence optical diffusion tomography by parametrically reconstructing the time-dependent fluorescent yield. The reconstruction uses a Bayesian framework and parametric iterative coordinate descent optimization, which is closely related to Gauss-Seidel methods. We demonstrate the method with a simulation study.

  9. Variational approach to low-frequency kinetic-MHD in the current-coupling scheme

    NASA Astrophysics Data System (ADS)

    Tronci, Cesare; Burby, Joshua

    2016-10-01

    Hybrid kinetic-MHD models describe the interaction of an MHD bulk fluid with an ensemble of hot particles, which is described by a kinetic equation. When the Vlasov description is adopted for the energetic particles, different Vlasov-MHD models have been shown to lack an exact energy balance, unless non-inertial force terms are inserted in the kinetic equation. These force terms arise from fundamental approaches based on Hamiltonian and variational methods. In this work we apply Hamilton's variational principle to formulate new current-coupling kinetic-MHD models in the low-frequency approximation (i.e. large Larmor frequency limit). More particularly, we formulate current-coupling hybrid schemes, in which energetic particle dynamics are expressed in either guiding-center or gyrocenter coordinates. Financial support by the Leverhulme Trust Research Project Grant No. 2014-112 is greatly acknowledged.

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

    NASA Astrophysics Data System (ADS)

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

    2017-05-01

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

  11. Effects of Environmental Parameters On Height and Gravity Variations.

    NASA Astrophysics Data System (ADS)

    Richter, B.; Zerbini, S.; Romagnoli, C.; Lago, L.; Domenichini, F.; Simon, D.

    Continuous GPS and gravity measurements by means of a cryogenic gravimeter started in mid 1996 at Medicina, in Italy. The time variability of gravity and GPS heights in relation to variations of several environmental parameters has been investi- gated. A marked seasonal signal, of comparable amplitude and phase, has been iden- tified in both data series. It has been interpreted as the sum of different loading and Newtonian attraction effects. Seasonal loading effects induced by air pressure, the ocean and surficial water table were estimated and modeled for both data sets. Mass effects due to the surficial water table and the ocean were also estimated and accounted for. For the gravity series, 12-hour data of balloon radio sounding launches have been used to estimate the attraction effect of the seasonal vertical density distribution of the air pressure column above the station. It is demonstrated the importance of collecting continuous, high-accuracy, multi-parameter data series for an appropriate interpreta- tion of signals related to environmental variability. The results of the study have shed light on impacts relevant to the deformation of the Earth's crust due to the interactions between different components of the Earth's system.

  12. Inverse modeling approach for evaluation of kinetic parameters of a biofilm reactor using tabu search.

    PubMed

    Kumar, B Shiva; Venkateswarlu, Ch

    2014-08-01

    The complex nature of biological reactions in biofilm reactors often poses difficulties in analyzing such reactors experimentally. Mathematical models could be very useful for their design and analysis. However, application of biofilm reactor models to practical problems proves somewhat ineffective due to the lack of knowledge of accurate kinetic models and uncertainty in model parameters. In this work, we propose an inverse modeling approach based on tabu search (TS) to estimate the parameters of kinetic and film thickness models. TS is used to estimate these parameters as a consequence of the validation of the mathematical models of the process with the aid of measured data obtained from an experimental fixed-bed anaerobic biofilm reactor involving the treatment of pharmaceutical industry wastewater. The results evaluated for different modeling configurations of varying degrees of complexity illustrate the effectiveness of TS for accurate estimation of kinetic and film thickness model parameters of the biofilm process. The results show that the two-dimensional mathematical model with Edward kinetics (with its optimum parameters as mu(max)rho(s)/Y = 24.57, Ks = 1.352 and Ki = 102.36) and three-parameter film thickness expression (with its estimated parameters as a = 0.289 x 10(-5), b = 1.55 x 10(-4) and c = 15.2 x 10(-6)) better describes the biofilm reactor treating the industry wastewater.

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

    PubMed

    Anthon, Gordon E; Barrett, Diane M

    2002-07-03

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

  14. Reliability and Validity of Kinetic and Kinematic Parameters Determined With Force Plates Embedded Under Soil-Filled Baseball Mound.

    PubMed

    Yanai, Toshimasa; Matsuo, Akifumi; Maeda, Akira; Nakamoto, Hiroki; Mizutani, Mirai; Kanehisa, Hiroaki; Fukunaga, Tetsuo

    2017-01-13

    We developed a force measurement system in a soil-filled mound for measuring ground reaction forces (GRFs) acting on baseball pitchers and examined the reliability and validity of kinetic and kinematic parameters determined from the GRFs. Three soil-filled trays of dimensions that satisfied the official baseball rules were fixed onto three force platforms. Eight collegiate pitchers wearing baseball shoes with metal cleats were asked to throw 5 fastballs with maximum effort from the mound toward a catcher. The reliability of each parameter was determined for each subject as the coefficient of variation across the 5 pitches. The validity of the measurements was tested by comparing the outcomes either with the true values or the corresponding values computed from a motion capture system. The coefficients of variation in the repeated measurements of the peak forces ranged from 0.00 to 0.17, and were smaller for the pivot foot than the stride foot. The mean absolute errors in the impulses determined over entire duration of pitching motion were 5.3 N·s, 1.9 N·s, and 8.2 N·s for the X-, Y-, and Z-directions, respectively. These results suggest that the present method is reliable and valid for determining selected kinetic and kinematic parameters for analyzing pitching performance.

  15. Simulation of the interannual variations of aerosols in China: role of variations in meteorological parameters

    NASA Astrophysics Data System (ADS)

    Mu, Q.; Liao, H.

    2014-09-01

    We used the nested grid version of the global three-dimensional Goddard Earth Observing System chemical transport model (GEOS-Chem) to examine the interannual variations (IAVs) of aerosols over heavily polluted regions in China for years 2004-2012. The role of variations in meteorological parameters was quantified by a simulation with fixed anthropogenic emissions at year 2006 levels and changes in meteorological parameters over 2004-2012. Simulated PM2.5 (particles with a diameter of 2.5 μm or less) aerosol concentrations exhibited large IAVs in North China (NC; 32-42° N, 110-120° E), with regionally averaged absolute percent departure from the mean (APDM) values of 17, 14, 14, and 11% in December-January-February (DJF), March-April-May (MAM), June-July-August (JJA), and September-October-November (SON), respectively. Over South China (SC; 22-32° N, 110-120° E), the IAVs in PM2.5 were found to be the largest in JJA, with the regional mean APDM values of 14% in JJA and of about 9% in other seasons. The concentrations of PM2.5 over the Sichuan Basin (SCB; 27-33° N, 102-110° E) were simulated to have the smallest IAVs among the polluted regions examined in this work, with APDM values of 8-9% in all seasons. All aerosol species (sulfate, nitrate, ammonium, black carbon, and organic carbon) were simulated to have the largest IAVs over NC in DJF, corresponding to the large variations in meteorological parameters over NC in this season. Process analyses were performed to identify the key meteorological parameters that determined the IAVs of different aerosol species in different regions. While the variations in temperature and specific humidity, which influenced the gas-phase formation of sulfate, jointly determined the IAVs of sulfate over NC in both DJF and JJA, wind (or convergence of wind) in DJF and precipitation in JJA were the dominant meteorological factors to influence IAVs of sulfate over SC and the SCB. The IAVs in temperature and specific humidity

  16. A robust methodology for kinetic model parameter estimation for biocatalytic reactions.

    PubMed

    Al-Haque, Naweed; Santacoloma, Paloma A; Neto, Watson; Tufvesson, Pär; Gani, Rafiqul; Woodley, John M

    2012-01-01

    Effective estimation of parameters in biocatalytic reaction kinetic expressions are very important when building process models to enable evaluation of process technology options and alternative biocatalysts. The kinetic models used to describe enzyme-catalyzed reactions generally include several parameters, which are strongly correlated with each other. State-of-the-art methodologies such as nonlinear regression (using progress curves) or graphical analysis (using initial rate data, for example, the Lineweaver-Burke plot, Hanes plot or Dixon plot) often incorporate errors in the estimates and rarely lead to globally optimized parameter values. In this article, a robust methodology to estimate parameters for biocatalytic reaction kinetic expressions is proposed. The methodology determines the parameters in a systematic manner by exploiting the best features of several of the current approaches. The parameter estimation problem is decomposed into five hierarchical steps, where the solution of each of the steps becomes the input for the subsequent step to achieve the final model with the corresponding regressed parameters. The model is further used for validating its performance and determining the correlation of the parameters. The final model with the fitted parameters is able to describe both initial rate and dynamic experiments. Application of the methodology is illustrated with a case study using the ω-transaminase catalyzed synthesis of 1-phenylethylamine from acetophenone and 2-propylamine.

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

    ERIC Educational Resources Information Center

    Ribas, Joan; And Others

    1988-01-01

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

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

    ERIC Educational Resources Information Center

    Ribas, Joan; And Others

    1988-01-01

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

  19. Determination of electron transfer kinetic parameters by fourier transform electrochemical impedance spectroscopic analysis.

    PubMed

    Chang, Byoung-Yong; Hong, Sung-Young; Yoo, Jung-Suk; Park, Su-Moon

    2006-10-05

    A new attempt to obtain electron transfer kinetic parameters at an electrified electrode/electrolyte interface using Fourier transform electrochemical impedance spectroscopic (FTEIS) analyses of small potential step chronoamperometric currents is presented. The kinetic parameters thus obtained allowed mass transport free voltammograms to be constructed in an overpotential region, where the diffusion limits the electron transfer reaction, using the Butler-Volmer (B-V) relation. The B-V voltammograms clearly distinguish electrode reactions that are not much different in their electron transfer kinetic parameters, thus showing very similar normal linear sweep voltammetric (SCV) behaviors. Electrochemical reduction of p-benzoquinone, which displays nearly the same SCV responses at a gold electrode regardless whether the electrode is covered by a thiolated beta-cyclodextrin self-assembled monolayer, was taken as an example for the demonstration. The results show that the two voltametrically similar systems display very different electron transfer characteristics.

  20. Closed-Form Formulas for Estimation of Kinetic Parameters in One- and Two-Compartment Models

    SciTech Connect

    Zeng, Gengsheng; Kadrmas, Dan; Gullberg, Grant

    2011-05-24

    .Nowadays the most reliable approach to estimate the kinetic parameters is to minimize an objective function which is essentially the distance between the measured data and the model generated pseudo data. Due to the highly non-linear nature of the model, common optimization algorithms usually fail to find the true minimum. A brute-force search method sometimes must be used to find the true minimum. This paper attempts to use the Laplace transform and Z-transform methods to derive closed-form formulas for kinetic parameter estimation problems, which assume one- or two-compartment models. The proposed method is computationally efficient and its solution is unique. When data sampling interval is small, the proposed method is able to accurately estimate the kinetic parameter; when the interval is larger, the proposed method fails to give a meaningful estimate. The one-compartment method is more robust than the two-compartment method.

  1. Fuzzy Stochastic Petri Nets for Modeling Biological Systems with Uncertain Kinetic Parameters.

    PubMed

    Liu, Fei; Heiner, Monika; Yang, Ming

    2016-01-01

    Stochastic Petri nets (SPNs) have been widely used to model randomness which is an inherent feature of biological systems. However, for many biological systems, some kinetic parameters may be uncertain due to incomplete, vague or missing kinetic data (often called fuzzy uncertainty), or naturally vary, e.g., between different individuals, experimental conditions, etc. (often called variability), which has prevented a wider application of SPNs that require accurate parameters. Considering the strength of fuzzy sets to deal with uncertain information, we apply a specific type of stochastic Petri nets, fuzzy stochastic Petri nets (FSPNs), to model and analyze biological systems with uncertain kinetic parameters. FSPNs combine SPNs and fuzzy sets, thereby taking into account both randomness and fuzziness of biological systems. For a biological system, SPNs model the randomness, while fuzzy sets model kinetic parameters with fuzzy uncertainty or variability by associating each parameter with a fuzzy number instead of a crisp real value. We introduce a simulation-based analysis method for FSPNs to explore the uncertainties of outputs resulting from the uncertainties associated with input parameters, which works equally well for bounded and unbounded models. We illustrate our approach using a yeast polarization model having an infinite state space, which shows the appropriateness of FSPNs in combination with simulation-based analysis for modeling and analyzing biological systems with uncertain information.

  2. Fuzzy Stochastic Petri Nets for Modeling Biological Systems with Uncertain Kinetic Parameters

    PubMed Central

    Liu, Fei; Heiner, Monika; Yang, Ming

    2016-01-01

    Stochastic Petri nets (SPNs) have been widely used to model randomness which is an inherent feature of biological systems. However, for many biological systems, some kinetic parameters may be uncertain due to incomplete, vague or missing kinetic data (often called fuzzy uncertainty), or naturally vary, e.g., between different individuals, experimental conditions, etc. (often called variability), which has prevented a wider application of SPNs that require accurate parameters. Considering the strength of fuzzy sets to deal with uncertain information, we apply a specific type of stochastic Petri nets, fuzzy stochastic Petri nets (FSPNs), to model and analyze biological systems with uncertain kinetic parameters. FSPNs combine SPNs and fuzzy sets, thereby taking into account both randomness and fuzziness of biological systems. For a biological system, SPNs model the randomness, while fuzzy sets model kinetic parameters with fuzzy uncertainty or variability by associating each parameter with a fuzzy number instead of a crisp real value. We introduce a simulation-based analysis method for FSPNs to explore the uncertainties of outputs resulting from the uncertainties associated with input parameters, which works equally well for bounded and unbounded models. We illustrate our approach using a yeast polarization model having an infinite state space, which shows the appropriateness of FSPNs in combination with simulation-based analysis for modeling and analyzing biological systems with uncertain information. PMID:26910830

  3. Respirometric assays of two different MBR (microfiltration and ultrafiltration) to obtain kinetic and stoichiometric parameters.

    PubMed

    Ruiz, L M; Arévalo, J; Parada, J; González, D; Moreno, B; Pérez, J; Gómez, M A

    2011-01-01

    A comparison of two different medium scale MBRs (ultrafiltration and microfiltration) using respirometric methods has been achieved. The ultrafiltration membrane plant (0.034 microm pore size) maintained recirculation sludge flow at seven times the influent flow, and membranes were backwashed every 5 min and chemically cleaned weekly. The microfiltration membrane plant (0.4 microm pore size) maintained recirculation sludge flow at four times the influent flow, membrane-relax was applied after the production phase and membranes were chemically cleaned in the event of high trans-membrane pressure. Both technologies showed a similar performance with regard to heterotrophic kinetic and stoichiometric parameters and organic matter effluent concentrations. The influent was characterized by means of its COD fractions and the average removal percentages for COD concentrations were around 97% for both plants in spite of influent COD fluctuation, temperature variations and sludge retention time (SRT) evolution. Both SRT evolution and temperature affect the heterotrophic yield (Y(H)) and the decay coefficient (bH) in the same range for both plants. Y(H) values of over 0.8 mg COD/mg COD were obtained during the unsteady periods, while under steady state conditions these values fell to less than 0.4 mg COD/mg COD. bH by contrast reached values of less than 0.05 d(-1).

  4. Active region moss. Basic physical parameters and their temporal variation

    NASA Astrophysics Data System (ADS)

    Tripathi, D.; Mason, H. E.; Del Zanna, G.; Young, P. R.

    2010-07-01

    Context. Active region moss are transition region phenomena, first noted in the images recorded by the Transition Region and Coronal Explorer (TRACE) in λ171. Moss regions are thought to be the footpoints of hot loops (3-5 MK) seen in the core of active regions. These hot loops appear “fuzzy” (unresolved). Therefore, it is difficult to study the physical plasma parameters in individual hot core loops and hence their heating mechanisms. Moss regions provide an excellent opportunity to study the physics of hot loops. In addition, they allow us to study the transition region dynamics in the footpoint regions. Aims: To derive the physical plasma parameters such as temperature, electron density, and filling factors in moss regions and to study their variation over a short (an hour) and a long time period (5 consecutive days). Methods: Primarily, we have analyzed spectroscopic observations recorded by the Extreme-ultraviolet Imaging Spectrometer (EIS) aboard Hinode. In addition we have used supplementary observations taken from TRACE and the X-Ray Telescope (XRT) aboard Hinode. Results: The moss emission is strongest in the Fe XII and Fe XIII lines. Based on analyses using line ratios and emission measure we found that moss regions have a characteristic temperature of log T[K] = 6.2. The temperature structure in moss region remains almost identical from one region to another and it does not change with time. The electron densities measured at different locations in the moss regions using Fe XII ratios are about 1-3 × 1010 cm-3 and about 2-4 × 109 cm-3 using Fe XIII and Fe XIV. The densities in the moss regions are similar in different places and show very little variation over short and long time scales. The derived electron density substantially increased (by a factor of about 3-4 or even more in some cases) when a background subtraction was performed. The filling factor of the moss plasma can vary between 0.1-1 and the path length along which the emission

  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

    Satya, Eswari Jujjavarapu; Venkateswarlu, Chimmiri

    2013-09-01

    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.

  7. 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

  8. A Comparison of Isoconversional and Model-Fitting Approaches to Kinetic Parameter Estimation and Application Predictions

    SciTech Connect

    Burnham, A K

    2006-05-17

    Chemical kinetic modeling has been used for many years in process optimization, estimating real-time material performance, and lifetime prediction. Chemists have tended towards developing detailed mechanistic models, while engineers have tended towards global or lumped models. Many, if not most, applications use global models by necessity, since it is impractical or impossible to develop a rigorous mechanistic model. Model fitting acquired a bad name in the thermal analysis community after that community realized a decade after other disciplines that deriving kinetic parameters for an assumed model from a single heating rate produced unreliable and sometimes nonsensical results. In its place, advanced isoconversional methods (1), which have their roots in the Friedman (2) and Ozawa-Flynn-Wall (3) methods of the 1960s, have become increasingly popular. In fact, as pointed out by the ICTAC kinetics project in 2000 (4), valid kinetic parameters can be derived by both isoconversional and model fitting methods as long as a diverse set of thermal histories are used to derive the kinetic parameters. The current paper extends the understanding from that project to give a better appreciation of the strengths and weaknesses of isoconversional and model-fitting approaches. Examples are given from a variety of sources, including the former and current ICTAC round-robin exercises, data sets for materials of interest, and simulated data sets.

  9. Inactivation kinetics of Listeria monocytogenes by high-pressure processing: pressure and temperature variation.

    PubMed

    Doona, Christopher J; Feeherry, Florence E; Ross, Edward W; Kustin, Kenneth

    2012-08-01

    The enhanced quasi-chemical kinetics (EQCK) model is presented as a methodology to evaluate the nonlinear inactivation kinetics of baro-resistant Listeria monocytogenes in a surrogate protein food system by high-pressure processing (HPP) for various combinations of pressure (P= 207 to 414 MPa) and temperature (T= 20 to 50 °C). The EQCK model is based on ordinary differential equations derived from 6 "quasi-chemical reaction" steps. The EQCK model continuously fits the conventional stages of the microbial lifecycle: lag, growth, stationary phase, and death; and tailing. Depending on the conditions, the inactivation kinetics of L. monocytogenes by HPP show a lag, inactivation, and tailing. Accordingly, we developed a customized, 4-step subset version of the EQCK model sufficient to evaluate the HPP inactivation kinetics of L. monocytogenes and obtain values for the model parameters of lag (λ), inactivation rate (μ), rate constants (k), and "processing time" (tp). This latter parameter was developed uniquely to evaluate kinetics data showing tailing. Secondary models are developed by interrelating the fitting parameters with experimental parameters, and Monte Carlo simulations are used to evaluate parameter reproducibility. This 4-step model is also compared with the empirical Weibull and Polylog models. The success of the EQCK model (as its 4-step subset) for the HPP inactivation kinetics of baro-resistant L. monocytogenes showing tailing establishes several advantages of the EQCK modeling approach for investigating nonlinear microbial inactivation kinetics, and it has implications for determining mechanisms of bacterial spore inactivation by HPP. Results of this study will be useful to the many segments of the food processing industry (ready-to-eat meats, fresh produce, seafood, dairy) concerned with ensuring the safety of consumers from the health hazards of Listeria monocytogenes, particularly through the use of emerging food preservation technologies such as

  10. Variational approach to low-frequency kinetic-MHD in the current coupling scheme

    NASA Astrophysics Data System (ADS)

    Burby, Joshua W.; Tronci, Cesare

    2017-04-01

    Hybrid kinetic-MHD models describe the interaction of an MHD bulk fluid with an ensemble of hot particles, which obeys a kinetic equation. In this work we apply Hamilton’s variational principle to formulate new current-coupling kinetic-MHD models in the low-frequency approximation (i.e. large Larmor frequency limit). More particularly, we formulate current-coupling schemes, in which energetic particle dynamics are expressed in either guiding center or gyrocenter coordinates. When guiding center theory is used to model the hot particles, we show how energy conservation requires corrections to the standard magnetization term. On the other hand, charge and momentum conservation in gyrokinetic-MHD lead to extra terms in the usual definition of the hot current density as well as modifications to conventional gyrocenter dynamics. All these new features arise naturally from the underlying variational structure of the proposed models.

  11. Between-species variation in the kinetic stability of TIM proteins linked to solvation-barrier free energies.

    PubMed

    Costas, Miguel; Rodríguez-Larrea, David; De Maria, Leonardo; Borchert, Torben V; Gómez-Puyou, Armando; Sanchez-Ruiz, Jose M

    2009-01-23

    Theoretical, computational, and experimental studies have suggested the existence of solvation barriers in protein unfolding and denaturation processes. These barriers are related to the finite size of water molecules and can be envisioned as arising from the asynchrony between water penetration and breakup of internal interactions. Solvation barriers have been proposed to play roles in protein cooperativity and kinetic stability; therefore, they may be expected to be subject to natural selection. We study the thermal denaturation, in the presence and in the absence of chemical denaturants, of triosephosphate isomerases (TIMs) from three different species: Trypanosoma cruzi, Trypanosoma brucei, and Leishmania mexicana. In all cases, denaturation was irreversible and kinetically controlled. Surprisingly, however, we found large differences between the kinetic denaturation parameters, with T. cruzi TIM showing a much larger activation energy value (and, consequently, much lower room-temperature, extrapolated denaturation rates). This disparity cannot be accounted for by variations in the degree of exposure to solvent in transition states (as measured by kinetic urea m values) and is, therefore, to be attributed mainly to differences in solvation-barrier contributions. This was supported by structure-energetics analyses of the transition states and by application of a novel procedure to estimate from experimental data the solvation-barrier impact at the entropy and free-energy levels. These analyses were actually performed with an extended protein set (including six small proteins plus seven variants of lipase from Thermomyces lanuginosus and spanning a wide range of activation parameters), allowing us to delineate the general trends of the solvation-barrier contributions. Overall, this work supports that proteins sharing the same structure and function but belonging to different organisms may show widely different solvation barriers, possibly as a result of different

  12. Accurate kinetic parameter estimation during progress curve analysis of systems with endogenous substrate production.

    PubMed

    Goudar, Chetan T

    2011-10-01

    We have identified an error in the published integral form of the modified Michaelis-Menten equation that accounts for endogenous substrate production. The correct solution is presented and the error in both the substrate concentration, S, and the kinetic parameters Vm , Km , and R resulting from the incorrect solution was characterized. The incorrect integral form resulted in substrate concentration errors as high as 50% resulting in 7-50% error in kinetic parameter estimates. To better reflect experimental scenarios, noise containing substrate depletion data were analyzed by both the incorrect and correct integral equations. While both equations resulted in identical fits to substrate depletion data, the final estimates of Vm , Km , and R were different and Km and R estimates from the incorrect integral equation deviated substantially from the actual values. Another observation was that at R = 0, the incorrect integral equation reduced to the correct form of the Michaelis-Menten equation. We believe this combination of excellent fits to experimental data, albeit with incorrect kinetic parameter estimates, and the reduction to the Michaelis-Menten equation at R = 0 is primarily responsible for the incorrectness to go unnoticed. However, the resulting error in kinetic parameter estimates will lead to incorrect biological interpretation and we urge the use of the correct integral form presented in this study.

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

    ERIC Educational Resources Information Center

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

    2011-01-01

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

  14. Dynamic identification of growth and survival kinetic parameters of microorganisms in foods

    USDA-ARS?s Scientific Manuscript database

    Inverse analysis is a mathematical method used in predictive microbiology to determine the kinetic parameters of microbial growth and survival in foods. The traditional approach in inverse analysis relies on isothermal experiments that are time-consuming and labor-intensive, and errors are accumula...

  15. Curcumin and kaempferol prevent lysozyme fibril formation by modulating aggregation kinetic parameters.

    PubMed

    Borana, Mohanish S; Mishra, Pushpa; Pissurlenkar, Raghuvir R S; Hosur, Ramakrishna V; Ahmad, Basir

    2014-03-01

    Interaction of small molecule inhibitors with protein aggregates has been studied extensively, but how these inhibitors modulate aggregation kinetic parameters is little understood. In this work, we investigated the ability of two potential aggregation inhibiting drugs, curcumin and kaempferol, to control the kinetic parameters of aggregation reaction. Using thioflavin T fluorescence and static light scattering, the kinetic parameters such as amplitude, elongation rate constant and lag time of guanidine hydrochloride-induced aggregation reactions of hen egg white lysozyme were studied. We observed a contrasting effect of inhibitors on the kinetic parameters when aggregation reactions were measured by these two probes. The interactions of these inhibitors with hen egg white lysozyme were investigated using fluorescence quench titration method and molecular dynamics simulations coupled with binding free energy calculations. We conclude that both the inhibitors prolong nucleation of amyloid aggregation through binding to region of the protein which is known to form the core of the protein fibril, but once the nucleus is formed the rate of elongation is not affected by the inhibitors. This work would provide insight into the mechanism of aggregation inhibition by these potential drug molecules.

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

    ERIC Educational Resources Information Center

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

    2011-01-01

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

  17. Combined Yamamoto approach for simultaneous estimation of adsorption isotherm and kinetic parameters in ion-exchange chromatography.

    PubMed

    Rüdt, Matthias; Gillet, Florian; Heege, Stefanie; Hitzler, Julian; Kalbfuss, Bernd; Guélat, Bertrand

    2015-09-25

    Application of model-based design is appealing to support the development of protein chromatography in the biopharmaceutical industry. However, the required efforts for parameter estimation are frequently perceived as time-consuming and expensive. In order to speed-up this work, a new parameter estimation approach for modelling ion-exchange chromatography in linear conditions was developed. It aims at reducing the time and protein demand for the model calibration. The method combines the estimation of kinetic and thermodynamic parameters based on the simultaneous variation of the gradient slope and the residence time in a set of five linear gradient elutions. The parameters are estimated from a Yamamoto plot and a gradient-adjusted Van Deemter plot. The combined approach increases the information extracted per experiment compared to the individual methods. As a proof of concept, the combined approach was successfully applied for a monoclonal antibody on a cation-exchanger and for a Fc-fusion protein on an anion-exchange resin. The individual parameter estimations for the mAb confirmed that the new approach maintained the accuracy of the usual Yamamoto and Van Deemter plots. In the second case, offline size-exclusion chromatography was performed in order to estimate the thermodynamic parameters of an impurity (high molecular weight species) simultaneously with the main product. Finally, the parameters obtained from the combined approach were used in a lumped kinetic model to simulate the chromatography runs. The simulated chromatograms obtained for a wide range of gradient lengths and residence times showed only small deviations compared to the experimental data. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Variational Effect and Anharmonic Torsion on Kinetic Modeling for Initiation Reaction of Dimethyl Ether Combustion.

    PubMed

    Guan, Yulei; Gao, Jing; Song, Yiming; Li, Yang; Ma, Haixia; Song, Jirong

    2017-02-09

    The reaction of dimethyl ether (DME) with molecular oxygen has been considered to be the dominant initiation pathway for DME combustion compared to the C-O bond fission. This work presents a detailed mechanism and kinetics investigation for the O2 + DME reaction with theoretical approaches. Using the CCSD(T)/6-311+G(2df,2pd) potential energy surface with the M06-2X/MG3S gradient, Hessian, and geometries, rate constants are evaluated by multistructural canonical variational transition-state theory (MS-CVT) including contributions from hindered rotation and multidimensional tunneling over the temperature range 200-2800 K. The CCSD(T) and QCISD(T) with 6-311+G(2df,2pd) calculations predict a barrier of 190-194 kJ mol(-1) for the O2 + DME reaction based on the optimized structures at various levels. It is proposed that there exists a weakly interacting adducts on the product side with subsequent dissociation to the separate HO2 and CH3OCH2 radicals. Torsions in transition state are found to be significantly coupled to generate four conformations whose contributions do influence the rate constant predictions. Variational effects are observed to be significant at high temperatures, while tunneling effect quickly becomes insignificant with temperature. Finally, four-parameter Arrhenius expression 9.14 × 10(13)(T/300)(-3.15) exp[-184.52(T + 110.23)/(T(2) + 110.23(2))] cm(3) mol(-1) s(-1) describes the temperature dependence of MS-CVT rate constants with small-curvature tunneling correction.

  19. 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.

  20. 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

  1. Variational methods to estimate terrestrial ecosystem model parameters

    NASA Astrophysics Data System (ADS)

    Delahaies, Sylvain; Roulstone, Ian

    2016-04-01

    Carbon is at the basis of the chemistry of life. Its ubiquity in the Earth system is the result of complex recycling processes. Present in the atmosphere in the form of carbon dioxide it is adsorbed by marine and terrestrial ecosystems and stored within living biomass and decaying organic matter. Then soil chemistry and a non negligible amount of time transform the dead matter into fossil fuels. Throughout this cycle, carbon dioxide is released in the atmosphere through respiration and combustion of fossils fuels. Model-data fusion techniques allow us to combine our understanding of these complex processes with an ever-growing amount of observational data to help improving models and predictions. The data assimilation linked ecosystem carbon (DALEC) model is a simple box model simulating the carbon budget allocation for terrestrial ecosystems. Over the last decade several studies have demonstrated the relative merit of various inverse modelling strategies (MCMC, ENKF, 4DVAR) to estimate model parameters and initial carbon stocks for DALEC and to quantify the uncertainty in the predictions. Despite its simplicity, DALEC represents the basic processes at the heart of more sophisticated models of the carbon cycle. Using adjoint based methods we study inverse problems for DALEC with various data streams (8 days MODIS LAI, monthly MODIS LAI, NEE). The framework of constraint optimization allows us to incorporate ecological common sense into the variational framework. We use resolution matrices to study the nature of the inverse problems and to obtain data importance and information content for the different type of data. We study how varying the time step affect the solutions, and we show how "spin up" naturally improves the conditioning of the inverse problems.

  2. Longitudinal variations in fitting parameters for adult cochlear implant recipients.

    PubMed

    Mosca, F; Grassia, R; Leone, C A

    2014-04-01

    In patients with a cochlear implant (CI), the first critical point in processing auditory information from sound stimuli that leads to comprehension is the interface between the electrode and the cochlear nerve, which is dependent on providing appropriate current input. The purpose of this work was to evaluate the longitudinal differences in psychoacoustic fitting parameters in CI users. We studied 26 profoundly deaf adults, aged between 18 and 58 years, who had been implanted in our department between 2009 and 2011. The lowest current levels that evoked an auditory sensation (T-level) and the highest current levels that did not elicit an uncomfortable loud sensation (C-level) were recorded at the time of activation, approximately 30 days after implantation (mean 28.5 days) (T0), after one month (T1), 3 months (T3), 6 months (T6) and one year (T12). Impedance values were calculated for electrode groups: basal, middle and apical. In all cases, the same model of perimodiolar implant (Cochlear™ Nucleus(®) CI24RE) and the same surgical technique (cochleostomy) were used. The values of T-level and C-level showed significant incremental changes between T0 and T1 and between T1 and T3. T-levels in the basal regions of the cochlea were higher than in other sites. T-levels in the basal turn exhibited higher values consistent with a greater amount of fibrosis, as reported in other studies. Our findings suggest that fitting sessions should be scheduled more frequently during the first three months as indicated by the greater slope of T- and C- level variations during that time frame.

  3. A new approach to determine the kinetic parameters for nitrifying microorganisms in the activated sludge systems.

    PubMed

    Liwarska-Bizukojc, Ewa; Bizukojc, Marcin

    2012-04-01

    This work aims at establishing the methodology to determine kinetic parameters describing growth of autotrophs in the activated sludge systems. It is based upon the measurement of oxygen uptake rate (OUR) only. Two Monod kinetic parameters, namely maximum specific growth rate for autotrophic biomass (μ(max,A)) and half-saturation constant for ammonium ions (K(A)) were simply and rapidly determined within a single batch OUR test with the use of ammonified wastewater. The obtained mean values of the parameters are μ(max,A)=0.675 h(-1) and K(A)=0.912 mg NH(3)-Nl(-1) and they are close to the ones assumed in activated sludge models. It indicates that the methodology of the respiratory batch test elaborated in this study is reliable.

  4. Thermal kinetic and dielectric parameters of acenaphthene crystal grown by vertical Bridgman technique

    NASA Astrophysics Data System (ADS)

    Karuppusamy, S.; Dinesh Babu, K.; Nirmal Kumar, V.; Gopalakrishnan, R.

    2016-05-01

    The bulk acenaphthene crystal was grown in a single-wall ampoule by vertical Bridgman technique. X-ray diffraction analysis confirmed the orthorhombic crystal system of title compound with space group Pcm21. Thermal behavior of compound was studied using thermogravimetry—differential scanning calorimetry analysis. Thermal kinetic parameters like activation energy, frequency factor, Avrami exponent, reaction rate and degree of conversion were calculated using Kissingers and Ozawa methods under non-isothermal condition for acenaphthene crystal and reported for the first time. The calculated thermal kinetic parameters are presented. Dielectric studies were performed to calculate the dielectric parameters such as dielectric constant, dielectric loss, AC conductivity, and activation energy from Arrhenius plot.

  5. 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.

  6. Modeling Subducting Slabs: Structural Variations due to Thermal Models, Latent Heat Feedback, and Thermal Parameter

    NASA Astrophysics Data System (ADS)

    Marton, F. C.

    2001-12-01

    The thermal, mineralogical, and buoyancy structures of thermal-kinetic models of subducting slabs are highly dependent upon a number of parameters, especially if the metastable persistence of olivine in the transition zone is investigated. The choice of starting thermal model for the lithosphere, whether a cooling halfspace (HS) or plate model, can have a significant effect, resulting in metastable wedges of olivine that differ in size by up to two to three times for high values of the thermal parameter (ǎrphi). Moreover, as ǎrphi is the product of the age of the lithosphere at the trench, convergence rate, and dip angle, slabs with similar ǎrphis can show great variations in structures as these constituents change. This is especially true for old lithosphere, as the lithosphere continually cools and thickens with age for HS models, but plate models, with parameters from Parson and Sclater [1977] (PS) or Stein and Stein [1992] (GDH1), achieve a thermal steady-state and constant thickness in about 70 My. In addition, the latent heats (q) of the phase transformations of the Mg2SiO4 polymorphs can also have significant effects in the slabs. Including q feedback in models raises the temperature and reduces the extent of metastable olivine, causing the sizes of the metastable wedges to vary by factors of up to two times. The effects of the choice of thermal model, inclusion and non-inclusion of q feedback, and variations in the constituents of ǎrphi are investigated for several model slabs.

  7. Combustion of pistachio shell: physicochemical characterization and evaluation of kinetic parameters.

    PubMed

    da Silva, Jean Constantino Gomes; Alves, José Luiz Francisco; Galdino, Wendell Venicio de Araujo; Moreira, Regina de Fátima Peralta Muniz; José, Humberto Jorge; de Sena, Rennio Felix; Andersen, Silvia Layara Floriani

    2017-04-06

    The study of different renewable energy sources has been intensifying due to the current climate changes; therefore, the present work had the objective to characterize physicochemically the pistachio shell waste and evaluate kinetic parameters of its combustion. The pistachio shell was characterized through proximate analysis, ultimate analysis, SEM, and FTIR. The thermal and kinetic behaviors were evaluated by a thermogravimetric analyzer under oxidant atmosphere between room temperature and 1000 °C, in which the process was performed in three different heating rates (20, 30, and 40 °C min(-1)). The combustion of the pistachio shell presented two regions in the derivative thermogravimetric curves, where the first represents the devolatilization of volatile matter compounds and the second one is associated to the biochar oxidation. These zones were considered for the evaluation of the kinetic parameters E a , A, and f(α) by the modified method of Coats-Redfern, compensation effect, and master plot, respectively. The kinetic parameters for zone 1 were E a1 = 84.11 kJ mol(-1), A 1 = 6.39 × 10(6) min(-1), and f(α)1 = 3(1 - α)(2/3), while for zone 2, the kinetic parameters were E a2 = 37.47 kJ mol(-1), A 2 = 57.14 min(-1), and f(α)2 = 2(1 - α)(1/2).

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

    SciTech Connect

    Frias, Moises

    2007-07-01

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

  9. Kinetics of 12-Hydroxyoctadecanoic Acid SAFiN Crystallization Rationalized Using Hansen Solubility Parameters.

    PubMed

    Rogers, Michael A; Marangoni, Alejandro G

    2016-12-06

    Changes in solvent chemistry influenced kinetics of both nucleation and crystallization of 12-hydroxyoctadecenoic, as determined using differential scanning calorimetry and applying a modified Avrami model to the calorimetric data. Altering solvent properties influenced solvent-gelator compatibility, which in turn altered the chemical potential of the system at the onset of crystallization, the kinetics of gelation, and the resulting 12HOA crystal fiber length. The chemical potential at the onset of crystallization was linearly correlated to both the hydrogen-bonding Hansen solubility parameter and the solvent-gelator vectorial distance in Hansen space, Ra. Our work suggests that solvent properties can be modulated to affect the solubility of 12HOA, which in turn influences the kinetics of crystallization and the self-assembly of this organogelator into supramolecular crystalline structures. Therefore, modulation of solvent properties during organogelation can be used to control fiber length and thus engineer the physical properties of the gel.

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

    PubMed

    Frías, Moisés; Villar-Cociña, E; Valencia-Morales, E

    2007-01-01

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

  11. The geomagnetic secular variation S parameter: A mathematical artifact

    NASA Astrophysics Data System (ADS)

    Linder, J. M.; Gilder, S. A.

    2011-12-01

    Secular variation, the change in the Earth's magnetic field through time, reflects the energy state of the geodynamo. Secular variation is commonly quantified by the standard deviation of the angular distances of the virtual geomagnetic poles to their mean pole, known as the S value. The S value has long been thought to exhibit latitude dependence [S(λ)] whose origin is widely attributed to a combination of time-varying dipole and non-dipole components. The slope, magnitude and uncertainty of S(λ) are taken as a basis to model the geomagnetic field and understand its evolution. Here we show that variations in S stem from a mathematical aberration of the conversion from directions to poles. A new method to quantify secular variation is proposed.

  12. Study of the kinetic parameters for synthesis and hydrolysis of pharmacologically active salicin isomer catalyzed by baker's yeast maltase

    NASA Astrophysics Data System (ADS)

    Veličković, D. V.; Dimitrijević, A. S.; Bihelović, F. J.; Jankov, R. M.; Milosavić, N.

    2011-12-01

    One of the key elements for understanding enzyme reactions is determination of its kinetic parameters. Since transglucosylation is kinetically controlled reaction, besides the reaction of synthesis, very important is the reaction of enzymatic hydrolysis of created product. Therefore, in this study, kinetic parameters for synthesis and secondary hydrolysis of pharmacologically active α isosalicin by baker's yeast maltase were calculated, and it was shown that specifity of maltase for hydrolysis is approximately 150 times higher then for synthesis.

  13. No kinetic differences during variations of the power clean in inexperienced female collegiate athletes.

    PubMed

    Comfort, Paul; McMahon, John J; Fletcher, Caroline

    2013-02-01

    Previous research has identified that the second pull phase of the clean generates the greatest power output and that the midthigh variations of the power clean also result in the greatest force and power output in male athletes; however, no research has compared the kinetics of the variations of the power clean in women. The aim of this investigation was to identify any differences between variations of the clean, across a range of loads, in inexperienced female collegiate athletes. Sixteen healthy female collegiate athletes (age 19 ± 2.3 years; height 166.5 ± 3.22 cm; body mass 62.25 ± 4.52 kg; 1 repetition maximum [1RM] power clean 51.5 ± 2.65 kg) performed 3 repetitions of 3 variations (power clean, hang power clean, midthigh power clean) of the power clean at 60, 70, and 80% of their predetermined 1RM power clean, in a randomized and counterbalanced order. A 2-way analysis of variance (3 × 3; load × variation) revealed no significant differences (p > 0.05) in peak power, peak vertical force (Fz) or rate of force development (RFD) between loads or variations of the power clean. There appears to be no advantage in terms of peak power, Fz, or RFD between variations of the clean, in inexperienced female athletes, it is suggested, therefore, that inexperienced athletes intermittently perform different variations of the clean to ensure all round development and technical competence in each variation of the exercise.

  14. Effects of various process parameters on struvite precipitation kinetics and subsequent determination of rate constants.

    PubMed

    Rahaman, M S; Ellis, N; Mavinic, D S

    2008-01-01

    In this paper, struvite (MgNH(4)PO(4).6H(2)O) precipitation kinetics were studied with different operating conditions (varying supersaturation, pH, Mg:P ratio, degree of mixing and seeding conditions) and relevant rate constants were determined by fitting a slightly modified first-order kinetic model to the experimental data obtained. The rate of change of ortho-P concentration in the bulk solutions increases with increasing supersaturation ratio. The estimated rate constants are 2.034, 1.716 and 0.690 hr(-1) for the supersaturation ratio of 9.64, 4.83, and 2.44, respectively. Kinetic parameters were also evaluated for the Mg:P ratio between the ranges of 1.0 and 1.6, indicating higher phosphorus removal efficiency with increasing Mg:P ratio. The rate constants were found to be 0.942, 2.034 and 2.712 hr(-1) for Mg:P ratios of 1.0, 1.3 and 1.6, respectively. The experimental observations for kinetic study of struvite precipitation with different stirrer speeds clearly show that the mixing intensity used had little effect on the intrinsic rate constants. K values found to be 2.034 and 1.902 h(-1) for 100 and 70 rpm, respectively. Seeding, with 250-500 microm of seed crystals during the struvite precipitation kinetics test, was found to have very little effect on the ortho-P removal.

  15. Calcium-binding parameter of Bacillus amyloliquefaciens alpha-amylase determined by inactivation kinetics.

    PubMed Central

    Tanaka, Atsushi; Hoshino, Eiichi

    2002-01-01

    The irreversible thermal inactivation and the thermodynamics of calcium ion binding of Bacillus amyloliquefaciens alpha-amylase in the absence of substrates were studied. The enzyme inactivation on heating was apparently followed by first-order kinetics. The enzyme was stabilized with an increased concentration of calcium ion and thus the inactivation was highly dependent on the state of calcium binding. The activation parameter for the inactivation suggests an unfolding of the enzyme protein upon heating. Values of both the activation enthalpy and entropy were increased with a higher calcium ion concentration. An inactivation kinetic model is based on the assumption of a two-stage unfolding transition in which the bivalent ion dissociation occurs in the first step followed by the secondary structural unfolding. This simple kinetic model provides both a qualitative and quantitative interpretation of calcium ion binding to the enzyme and its effect on the inactivation properties. The specific approximations of the kinetic model were strictly followed in the analysis to calculate the apparent inactivation rate at each calcium ion concentration in terms of the calcium-binding parameters. The enthalpy and entropy changes for the calcium ion binding were calculated to be -149 kJ/mol and -360 J.mol(-1).K(-1) respectively and these values suggest a strong enthalpic affinity for the bivalent ion binding to the enzyme protein. The thermodynamical interpretation attempts to provide clear relations between the terms of an apparent inactivation rate and the calcium binding. PMID:12049626

  16. A methodology for modeling photocatalytic reactors for indoor pollution control using previously estimated kinetic parameters.

    PubMed

    Passalía, Claudio; Alfano, Orlando M; Brandi, Rodolfo J

    2012-04-15

    A methodology for modeling photocatalytic reactors for their application in indoor air pollution control is carried out. The methodology implies, firstly, the determination of intrinsic reaction kinetics for the removal of formaldehyde. This is achieved by means of a simple geometry, continuous reactor operating under kinetic control regime and steady state. The kinetic parameters were estimated from experimental data by means of a nonlinear optimization algorithm. The second step was the application of the obtained kinetic parameters to a very different photoreactor configuration. In this case, the reactor is a corrugated wall type using nanosize TiO(2) as catalyst irradiated by UV lamps that provided a spatially uniform radiation field. The radiative transfer within the reactor was modeled through a superficial emission model for the lamps, the ray tracing method and the computation of view factors. The velocity and concentration fields were evaluated by means of a commercial CFD tool (Fluent 12) where the radiation model was introduced externally. The results of the model were compared experimentally in a corrugated wall, bench scale reactor constructed in the laboratory. The overall pollutant conversion showed good agreement between model predictions and experiments, with a root mean square error less than 4%.

  17. 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.

  18. Classical nucleation theory of immersion freezing: sensitivity of contact angle schemes to thermodynamic and kinetic parameters

    NASA Astrophysics Data System (ADS)

    Ickes, Luisa; Welti, André; Lohmann, Ulrike

    2017-02-01

    Heterogeneous ice formation by immersion freezing in mixed-phase clouds can be parameterized in general circulation models (GCMs) by classical nucleation theory (CNT). CNT parameterization schemes describe immersion freezing as a stochastic process, including the properties of insoluble aerosol particles in the droplets. There are different ways to parameterize the properties of aerosol particles (i.e., contact angle schemes), which are compiled and tested in this paper. The goal of this study is to find a parameterization scheme for GCMs to describe immersion freezing with the ability to shift and adjust the slope of the freezing curve compared to homogeneous freezing to match experimental data. We showed in a previous publication that the resulting freezing curves from CNT are very sensitive to unconstrained kinetic and thermodynamic parameters in the case of homogeneous freezing. Here we investigate how sensitive the outcome of a parameter estimation for contact angle schemes from experimental data is to unconstrained kinetic and thermodynamic parameters. We demonstrate that the parameters describing the contact angle schemes can mask the uncertainty in thermodynamic and kinetic parameters. Different CNT formulations are fitted to an extensive immersion freezing dataset consisting of size-selected measurements as a function of temperature and time for different mineral dust types, namely kaolinite, illite, montmorillonite, microcline (K-feldspar), and Arizona test dust. We investigated how accurate different CNT formulations (with estimated fit parameters for different contact angle schemes) reproduce the measured freezing data, especially the time and particle size dependence of the freezing process. The results are compared to a simplified deterministic freezing scheme. In this context, we evaluated which CNT-based parameterization scheme able to represent particle properties is the best choice to describe immersion freezing in a GCM.

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

    NASA Astrophysics Data System (ADS)

    Zhou, Yang; Yang, Daiwen

    2014-12-01

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

  20. Reliability of spatiotemporal and kinetic gait parameters determined by a new instrumented treadmill system.

    PubMed

    Reed, Lloyd F; Urry, Stephen R; Wearing, Scott C

    2013-08-21

    Despite the emerging use of treadmills integrated with pressure platforms as outcome tools in both clinical and research settings, published evidence regarding the measurement properties of these new systems is limited. This study evaluated the within- and between-day repeatability of spatial, temporal and vertical ground reaction force parameters measured by a treadmill system instrumented with a capacitance-based pressure platform. Thirty three healthy adults (mean age, 21.5 ± 2.8 years; height, 168.4 ± 9.9 cm; and mass, 67.8 ± 18.6 kg), walked barefoot on a treadmill system (FDM-THM-S, Zebris Medical GmbH) on three separate occasions. For each testing session, participants set their preferred pace but were blinded to treadmill speed. Spatial (foot rotation, step width, stride and step length), temporal (stride and step times, duration of stance, swing and single and double support) and peak vertical ground reaction force variables were collected over a 30-second capture period, equating to an average of 52 ± 5 steps of steady-state walking. Testing was repeated one week following the initial trial and again, for a third time, 20 minutes later. Repeated measures ANOVAs within a generalized linear modelling framework were used to assess between-session differences in gait parameters. Agreement between gait parameters measured within the same day (session 2 and 3) and between days (session 1 and 2; 1 and 3) were evaluated using the 95% repeatability coefficient. There were statistically significant differences in the majority (14/16) of temporal, spatial and kinetic gait parameters over the three test sessions (P < .01). The minimum change that could be detected with 95% confidence ranged between 3% and 17% for temporal parameters, 14% and 33% for spatial parameters, and 4% and 20% for kinetic parameters between days. Within-day repeatability was similar to that observed between days. Temporal and kinetic gait parameters were typically more

  1. 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

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

    PubMed

    Cotten, Cameron; Reed, Jennifer L

    2013-01-30

    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. 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. 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

  3. 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

  4. Chemical mechanism of beta-glucosidase from Trichoderma reesei QM 9414. pH-dependence of kinetic parameters.

    PubMed Central

    de la Mata, I; Estrada, P; Macarrón, R; Dominguez, J M; Castillón, M P; Acebal, C

    1992-01-01

    The variation of kinetic parameters of beta-glucosidase from Trichoderma reesei QM 9414 with pH was used to gain information about the chemical mechanism of the reaction catalysed by this enzyme. The pH-dependence of Vmax. and Vmax./Km for p-nitrophenyl beta-D-glucopyranoside showed that a group with a pK value of 4.3 must be unprotonated and a group with a pK value of 5.9 must be protonated for activity. Temperature and solvent-perturbation studies indicated that these groups are a histidine residue and a carboxy group respectively. Profiles of pKi for maltose as competitive inhibitor showed that binding is prevented when a group on the enzyme with a pK value of 4.5 becomes protonated. PMID:1317163

  5. Kinetic parameters of thermally stimulated light emission phenomenon in CaF2 doped with Tm(3+) ions.

    PubMed

    González, P R; Cruz-Zaragoza, E; Furetta, C

    2016-11-01

    The characterization of new materials thermoluminescent used in radiation dosimetry, require the determination of kinetic parameters, which are associated with the number and shape of the peaks which presents its glow curve, among the most important are: the activation energy, E, or depth of the traps, the frequency factor, s, and the kinetics order, b. These parameters are necessary to predict the stability of thermoluminescent information after irradiation of the material. In this work, we present the results obtained for the determination of kinetic parameters of Tm(3+)-doped CaF2, the methods used for the determination of kinetic parameters were; initial growth signal TL, General order Chen method, and Deconvolution of glow curve. The results showed that the glow curve of CaF2 presents three glow peaks, 492K main peak and two smaller peaks, one at 430K and another to 566K. The dosimetric glow peak fits to the general-order kinetics model.

  6. Spatial variations of seismic parameters and seismic properties in California

    NASA Astrophysics Data System (ADS)

    Wang, Q.; Jackson, D. D.

    2008-12-01

    The b value in Gutenberg-Richer relationship is critical for both hazard analysis and physical understanding of earthquakes. In California, people usually assume that the magnitude distribution is independent of location, but it might not be apply to other regions such as creeping zone, geothermal and volcanic regions. We divide California into 1x1 degrees grid and calculate the b value in each cell and estimation the variation of b value caused by magnitude errors using simulated earthquakes. The spatial variation of p value in Omori law will help people to find the whether and how the stress field, geographical condition and temperature influence the aftershock sequences. We use ETAS model to estimate the p value in each cell and find the statistical spatial correlations. We explore the relationship between b, p values and heat flow in California to find whether there are more small earthquakes in high temperature area and whether the high temperature shortens the stress relaxation time. We explore the background rate in California. We find the stationarity of background rates in southern and northern California are significant different. And we also explore the variation of the ratio of background events to total events across different stress regimes to discuss how stress influences the earthquake physicics.

  7. Systematic variational method for statistical nonlinear state and parameter estimation

    NASA Astrophysics Data System (ADS)

    Ye, Jingxin; Rey, Daniel; Kadakia, Nirag; Eldridge, Michael; Morone, Uriel I.; Rozdeba, Paul; Abarbanel, Henry D. I.; Quinn, John C.

    2015-11-01

    In statistical data assimilation one evaluates the conditional expected values, conditioned on measurements, of interesting quantities on the path of a model through observation and prediction windows. This often requires working with very high dimensional integrals in the discrete time descriptions of the observations and model dynamics, which become functional integrals in the continuous-time limit. Two familiar methods for performing these integrals include (1) Monte Carlo calculations and (2) variational approximations using the method of Laplace plus perturbative corrections to the dominant contributions. We attend here to aspects of the Laplace approximation and develop an annealing method for locating the variational path satisfying the Euler-Lagrange equations that comprises the major contribution to the integrals. This begins with the identification of the minimum action path starting with a situation where the model dynamics is totally unresolved in state space, and the consistent minimum of the variational problem is known. We then proceed to slowly increase the model resolution, seeking to remain in the basin of the minimum action path, until a path that gives the dominant contribution to the integral is identified. After a discussion of some general issues, we give examples of the assimilation process for some simple, instructive models from the geophysical literature. Then we explore a slightly richer model of the same type with two distinct time scales. This is followed by a model characterizing the biophysics of individual neurons.

  8. Kinetics of bacterial phospholipase C activity at micellar interfaces: effect of substrate aggregate microstructure and a model for the kinetic parameters.

    PubMed

    Singh, Jasmeet; Ranganathan, Radha; Hajdu, Joseph

    2008-12-25

    Activity at micellar interfaces of bacterial phospholipase C from Bacillus cereus on phospholipids solubilized in micelles was investigated with the goal of elucidating the role of the interface microstructure and developing further an existing kinetic model. Enzyme kinetics and physicochemical characterization of model substrate aggregates were combined, thus enabling the interpretation of kinetics in the context of the interface. Substrates were diacylphosphatidylcholine of different acyl chain lengths in the form of mixed micelles with dodecyldimethylammoniopropanesulfonate. An early kinetic model, reformulated to reflect the interfacial nature of the kinetics, was applied to the kinetic data. A better method of data treatment is proposed, use of which makes the presence of microstructure effects quite transparent. Models for enzyme-micelle binding and enzyme-lipid binding are developed, and expressions incorporating the microstructural properties are derived for the enzyme-micelle dissociation constant K(s) and the interface Michaelis-Menten constant, K(M). Use of these expressions in the interface kinetic model brings excellent agreement between the kinetic data and the model. Numerical values for the thermodynamic and kinetic parameters are determined. Enzyme-lipid binding is found to be an activated process with an acyl chain length dependent free energy of activation that decreases with micelle lipid molar fraction with a coefficient of about -15RT and correlates with the tightness of molecular packing in the substrate aggregate. Thus, the physical insight obtained includes a model for the kinetic parameters that shows that these parameters depend on the substrate concentration and acyl chain length of the lipid. Enzyme-micelle binding is indicated to be hydrophobic and solvent mediated with a dissociation constant of 1.2 mM.

  9. Nonlocal, kinetic stimulated Raman scattering in nonuniform plasmas: Averaged variational approach

    SciTech Connect

    Khain, P.; Friedland, L.; Shagalov, A. G.; Wurtele, J. S.

    2012-07-15

    Excitation of continuously phase-locked (autoresonant) plasma waves in a nonuniform plasma via stimulated Raman backscattering is analyzed with a focus on the kinetic regime (k{lambda}{sub D}{approx}1). The dominant nonlinear effect in this regime is that of resonant particles, and the plasma wave excitation is a nonlocal process involving formation and transport of the electron phase space holes. Whitham's averaged variational principle is applied in studying the coupled plasma, laser pump, and seed waves dynamics. A flat-top electron velocity distribution is used as the simplest model allowing a variational formulation within the water bag theory. The corresponding Lagrangian, averaged over the fast phase variable, yields evolution equations for the slow field variables. The adiabatic multiple water bag extension of the theory for application to autoresonant plasma waves in nonuniform plasmas with more realistic initial distributions is also discussed. Numerical solutions of the system of slow variational equations are compared with Vlasov-Ampere simulations.

  10. Thermoluminescence kinetic parameters of different amount La-doped ZnB₂O₄.

    PubMed

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

    2015-10-01

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

  11. Fast pyrolysis kinetics of alkali lignin: Evaluation of apparent rate parameters and product time evolution.

    PubMed

    Ojha, Deepak Kumar; Viju, Daniel; Vinu, R

    2017-10-01

    In this study, the apparent kinetics of fast pyrolysis of alkali lignin was evaluated by obtaining isothermal mass loss data in the timescale of 2-30s at 400-700°C in an analytical pyrolyzer. The data were analyzed using different reaction models to determine the rate constants and apparent rate parameters. First order and one dimensional diffusion models resulted in good fits with experimental data with apparent activation energy of 23kJmol(-1). Kinetic compensation effect was established using a large number of kinetic parameters reported in the literature for pyrolysis of different lignins. The time evolution of the major functional groups in the pyrolysate was analyzed using in situ Fourier transform infrared spectroscopy. Maximum production of the volatiles occurred around 10-12s. A clear transformation of guaiacols to phenol, catechol and their derivatives, and aromatic hydrocarbons was observed with increasing temperature. The plausible reaction steps involved in various transformations are discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Determination of kinetic parameters for 123-I thyroid uptake in healthy Japanese

    NASA Astrophysics Data System (ADS)

    Kusuhara, Hiroyuki; Maeda, Kazuya

    2017-09-01

    The purpose of this study was to compare the kinetic parameters for iodide thyroid accumulation in Japanese today with previously reported values. We determined the thyroid uptake of 123-I at 24 hours after the oral administration in healthy male Japanese without any diet restriction. The mean value was 16.1±5.4%, which was similar or rather lower than those previously reported in Japan (1958-1972). Kinetic model analysis was conducted to obtain the clearance for thyroid uptake from the blood circulation. The thyroid uptake clearance of 123-I was 0.540±0.073 ml/min, which was almost similar to those reported previously. There is no obvious difference in the thyroid uptake for 24 hours, and kinetic parameters in healthy Japanese for these 50 years. The fraction of distributed to the thyroid gland is lower than the ICRP reference man, and such difference must be taken into consideration to estimate the radiation exposure upon Fukushima accident in Japan.

  13. 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.

  14. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2001-06-01

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

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

    PubMed

    Wang, Yuanfeng; Christley, Scott; Mjolsness, Eric; Xie, Xiaohui

    2010-07-21

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

  17. Reproducibility of VPCT parameters in the normal pancreas: comparison of two different kinetic calculation models.

    PubMed

    Kaufmann, Sascha; Schulze, Maximilian; Horger, Thomas; Oelker, Aenne; Nikolaou, Konstantin; Horger, Marius

    2015-09-01

    To assess the reproducibility of volume computed tomographic perfusion (VPCT) measurements in normal pancreatic tissue using two different kinetic perfusion calculation models at three different time points. Institutional ethical board approval was obtained for retrospective analysis of pancreas perfusion data sets generated by our prospective study for liver response monitoring to local therapy in patients experiencing unresectable hepatocellular carcinoma, which was approved by the institutional review board. VPCT of the entire pancreas was performed in 41 patients (mean age, 64.8 years) using 26 consecutive volume measurements and intravenous injection of 50 mL of iodinated contrast at a flow rate of 5 mL/s. Blood volume(BV) and blood flow (BF) were calculated using two mathematical methods: maximum slope + Patlak analysis versus deconvolution method. Pancreas perfusion was calculated using two volume of interests. Median interval between the first and the second VPCT was 2 days and between the second and the third VPCT 82 days. Variability was assessed with within-patient coefficients of variation (CVs) and Bland-Altman analyses. Interobserver agreement for all perfusion parameters was calculated using intraclass correlation coefficients (ICCs). BF and BV values varied widely by method of analysis as did within-patient CVs for BF and BV at the second versus the first VPCT by 22.4%/50.4% (method 1) and 24.6%/24.0% (method 2) measured in the pancreatic head and 18.4%/62.6% (method 1) and 23.8%/28.1% (method 2) measured in the pancreatic corpus and at the third versus the first VPCT by 21.7%/61.8% (method 1) and 25.7%/34.5% (method 2) measured also in the pancreatic head and 19.1%/66.1% (method 1) and 22.0%/31.8% (method 2) measured in the pancreatic corpus, respectively. Interobserver agreement measured with ICC shows fair-to-good reproducibility. VPCT performed with the presented examinational protocol is reproducible and can be used for monitoring

  18. Genomic Variation, Host Range, and Infection Kinetics of Closely Related Cyanopodoviruses from New England Coastal Waters

    NASA Astrophysics Data System (ADS)

    Veglia, A. J.; Milford, C. R.; Marston, M.

    2016-02-01

    Viruses infecting marine Synechococcus are abundant in coastal marine environments and influence the community composition and abundance of their cyanobacterial hosts. In this study, we focused on the cyanopodoviruses which have smaller genomes and narrower host ranges relative to cyanomyoviruses. While previous studies have compared the genomes of diverse podoviruses, here we analyzed the genomic variation, host ranges, and infection kinetics of podoviruses within the same OTU. The genomes of fifty-five podoviral isolates from the coastal waters of New England were fully sequenced. Based on DNA polymerase gene sequences, these isolates fall into five discrete OTUs (termed RIP - Rhode Island Podovirus). Although all the isolates belonging to the same RIP have very similar DNA polymerase gene sequences (>98% sequence identity), differences in genome content, particularly in regions associated with tail fiber genes, were observed among isolates in the same RIP. Host range tests reveal variation both across and within RIPs. Notably within RIP1, isolates that had similar tail fiber regions also had similar host ranges. Isolates belonging to RIP4 do not contain the host-derived psbA photosynthesis gene, while isolates in the other four RIPs do possess a psbA gene. Nevertheless, infection kinetic experiments suggest that the latent period and burst size for RIP4 isolates are similar to RIP1 isolates. We are continuing to investigate the correlations among genome content, host range, and infection kinetics of isolates belonging to the same OTU. Our results to date suggest that there is substantial genomic variation within an OTU and that this variation likely influences cyanopodoviral - host interactions.

  19. Lattice parameter variations during aging in nickel-base superalloys

    NASA Technical Reports Server (NTRS)

    Nathal, M. V.; Mackay, R. A.; Garlick, R. G.

    1988-01-01

    The importance of the state of coherency on measurements of gamma/gamma-prime lattice mismatch has been experimentally demonstrated during aging at 1000 C of specimens of an alloy with composition Ni-(8.6)Cr-(5.3)Al-(10.1)Co-(11.7)W-(1.2)Ti-(0.7)Mo (wt pct). Lattice parameter measurements are given as a function of aging time, and the corresponding sample microstructures are presented. The results show that changes of the two phases during aging did not influence the lattice parameter measurements, indicating that aging specimens to produce a semicoherent gamma/gamma-prime structure provides a good approximation of the true, unconstrained lattice mismatch.

  20. Inferring Mechanistic Parameters from Amyloid Formation Kinetics by Approximate Bayesian Computation.

    PubMed

    Nakatani-Webster, Eri; Nath, Abhinav

    2017-03-14

    Amyloid formation is implicated in a number of human diseases, and is thought to proceed via a nucleation-dependent polymerization mechanism. Experimenters often wish to relate changes in amyloid formation kinetics, for example, in response to small molecules to specific mechanistic steps along this pathway. However, fitting kinetic fibril formation data to a complex model including explicit rate constants results in an ill-posed problem with a vast number of potential solutions. The levels of uncertainty remaining in parameters calculated from these models, arising both from experimental noise and high levels of degeneracy or codependency in parameters, is often unclear. Here, we demonstrate that a combination of explicit mathematical models with an approximate Bayesian computation approach can be used to assign the mechanistic effects of modulators on amyloid fibril formation. We show that even when exact rate constants cannot be extracted, parameters derived from these rate constants can be recovered and used to assign mechanistic effects and their relative magnitudes with a great deal of confidence. Furthermore, approximate Bayesian computation provides a robust method for visualizing uncertainty remaining in the model parameters, regardless of its origin. We apply these methods to the problem of heparin-mediated tau polymerization, which displays complex kinetic behavior not amenable to analysis by more traditional methods. Our analysis indicates that the role of heparin cannot be explained by enhancement of nucleation alone, as has been previously proposed. The methods described here are applicable to a wide range of systems, as models can be easily adapted to account for new reactions and reversibility.

  1. Preliminary Investigation of Ice Shape Sensitivity to Parameter Variations

    NASA Technical Reports Server (NTRS)

    Miller, Dean R.; Potapczuk, Mark G.; Langhals, Tammy J.

    2005-01-01

    A parameter sensitivity study was conducted at the NASA Glenn Research Center's Icing Research Tunnel (IRT) using a 36 in. chord (0.91 m) NACA-0012 airfoil. The objective of this preliminary work was to investigate the feasibility of using ice shape feature changes to define requirements for the simulation and measurement of SLD icing conditions. It was desired to identify the minimum change (threshold) in a parameter value, which yielded an observable change in the ice shape. Liquid Water Content (LWC), drop size distribution (MVD), and tunnel static temperature were varied about a nominal value, and the effects of these parameter changes on the resulting ice shapes were documented. The resulting differences in ice shapes were compared on the basis of qualitative and quantitative criteria (e.g., mass, ice horn thickness, ice horn angle, icing limits, and iced area). This paper will provide a description of the experimental method, present selected experimental results, and conclude with an evaluation of these results, followed by a discussion of recommendations for future research.

  2. The influence of energy migration on luminescence kinetics parameters in upconversion nanoparticles

    NASA Astrophysics Data System (ADS)

    Alyatkin, Sergey; Asharchuk, Ilya; Khaydukov, Kirill; Nechaev, Andrey; Lebedev, Oleg; Vainer, Yuri; Semchishen, Vladimir; Khaydukov, Evgeny

    2017-01-01

    The mechanism of upconversion at the nanoscale is still under discussion. In this paper, we report on the experimental results of anti-Stokes luminescence kinetics in the upconversion nanoparticles of β-NaYF4: 20%Yb3+; 0.6%Tm3+. The parameters of the luminescence kinetics were found to be unambiguously dependent on the number of excitation quanta n, which are necessary for certain transitions between the energy states of thulium ions. The observed correlation has been explained by means of the long-lasting energy migration between the ytterbium ions. The spread in time between the luminescent maxima of the corresponding thulium transitions not only shows the nonlinear character of upconversion, but also reveals the time scale of energy migration as well. From these, we derive that the conventional Förster formalism applied to the estimation of energy transfer efficiency in UCNP-fluorophore pairs can provide misleading results.

  3. Identification of the crystallization kinetic parameters of a semi-crystalline polymer by using PVTα 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 PVTα 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

  4. Narrow-track wheeled agricultural tractor parameter variation.

    PubMed

    Guzzomi, A; Rondelli, V

    2013-10-01

    Despite a general consensus among farmers, manufacturers, and researchers that wheeled agricultural tractor design has changed over time, there is little published evidence. There is debate as to whether the standardized rollover protective structure (ROPS) energy and force requirements, based on a tractor reference mass and pertaining to studies conducted more than 40 years ago, are appropriate for modern tractors. This article investigated the physical parameters of 326 modern narrow-track tractors, measured according to OECD Code 6 over 16 years (1993 to 2008 inclusive): 252 (-77%) were fixed-chassis tractors and 74 (-23%) were articulated. To understand the significance of design changes, the data were analyzed with respect to time and as a function of tractor mass. Articulated and fixed-chassis data were treated separately. The time data allowed qualitative analysis, while the mass data allowed quantitative analysis. The parameters show some changes over time and clearly indicate differences between articulated and fixed-chassis types. The parameter changes, along with the differences between types, may have important safety ramifications for ROPS energy absorption requirements, and these aspects are discussed. Regression lines with R2 values were fitted to the mass-related data for fixed-chassis and articulated tractors to determine the suitability of fit. The mass relations also displayed differences between fixed-chassis and articulated tractors. Thus, the most significant recommendation from this study is that the standardized testing procedure for narrow-track wheeled agricultural tractor category should be split into two groups: fixed-chassis and articulated.

  5. Analysis of the variation of range parameters of thermal cameras

    NASA Astrophysics Data System (ADS)

    Bareła, Jarosław; Kastek, Mariusz; Firmanty, Krzysztof; Krupiński, Michał

    2016-10-01

    Measured range characteristics may vary considerably (up to several dozen percent) between different samples of the same camera type. The question is whether the manufacturing process somehow lacks repeatability or the commonly used measurement procedures themselves need improvement. The presented paper attempts to deal with the aforementioned question. The measurement method has been thoroughly analyzed as well as the measurement test bed. Camera components (such as detector and optics) have also been analyzed and their key parameters have been measured, including noise figures of the entire system. Laboratory measurements are the most precise method used to determine range parameters of a thermal camera. However, in order to obtain reliable results several important conditions have to be fulfilled. One must have the test equipment capable of measurement accuracy (uncertainty) significantly better than the magnitudes of measured quantities. The measurements must be performed in a controlled environment thus excluding the influence of varying environmental conditions. The personnel must be well-trained, experienced in testing the thermal imaging devices and familiar with the applied measurement procedures. The measurement data recorded for several dozen of cooled thermal cameras (from one of leading camera manufacturers) have been the basis of the presented analysis. The measurements were conducted in the accredited research laboratory of Institute of Optoelectronics (Military University of Technology).

  6. Optimizing the modified microdosimetric kinetic model input parameters for proton and 4He ion beam therapy application

    NASA Astrophysics Data System (ADS)

    Mairani, A.; Magro, G.; Tessonnier, T.; Böhlen, T. T.; Molinelli, S.; Ferrari, A.; Parodi, K.; Debus, J.; Haberer, T.

    2017-06-01

    Models able to predict relative biological effectiveness (RBE) values are necessary for an accurate determination of the biological effect with proton and 4He ion beams. This is particularly important when including RBE calculations in treatment planning studies comparing biologically optimized proton and 4He ion beam plans. In this work, we have tailored the predictions of the modified microdosimetric kinetic model (MKM), which is clinically applied for carbon ion beam therapy in Japan, to reproduce RBE with proton and 4He ion beams. We have tuned the input parameters of the MKM, i.e. the domain and nucleus radii, reproducing an experimental database of initial RBE data for proton and He ion beams. The modified MKM, with the best fit parameters obtained, has been used to reproduce in vitro cell survival data in clinically-relevant scenarios. A satisfactory agreement has been found for the studied cell lines, A549 and RENCA, with the mean absolute survival variation between the data and predictions within 2% and 5% for proton and 4He ion beams, respectively. Moreover, a sensitivity study has been performed varying the domain and nucleus radii and the quadratic parameter of the photon response curve. The promising agreement found in this work for the studied clinical-like scenarios supports the usage of the modified MKM for treatment planning studies in proton and 4He ion beam therapy.

  7. Order Parameter and Kinetics of Non-Equilibrium Phase Transition Stimulated by the Impact of Volumetric Heat Source

    NASA Astrophysics Data System (ADS)

    Slyadnikov, E. E.; Turchanovskii, I. Yu.

    2017-01-01

    The authors formulated an understanding of the order parameter and built a kinetic model for the nonequilibrium first-order "solid body - liquid" phase transition stimulated by the impact of the volumetric heat source. Analytical solutions for kinetic equations were found, and it was demonstrated that depending on the phase transition rate "surface" and "bulk" melting mechanisms are implemented.

  8. 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...

  9. 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...

  10. Plyometric Long Jump Training With Progressive Loading Improves Kinetic and Kinematic Swimming Start Parameters.

    PubMed

    Rebutini, Vanessa Z; Pereira, Gleber; Bohrer, Roberta C D; Ugrinowitsch, Carlos; Rodacki, André L F

    2016-09-01

    Rebutini, VZ, Pereira, G, Bohrer, RCD, Ugrinowitsch, C, and Rodacki, ALF. Plyometric long jump training with progressive loading improves kinetic and kinematic swimming start parameters. J Strength Cond Res 30(9): 2392-2398, 2016-This study was aimed to determine the effects of a plyometric long jump training program on torque around the lower limb joints and kinetic and kinematics parameters during the swimming jump start. Ten swimmers performed 3 identical assessment sessions, measuring hip and knee muscle extensors during maximal voluntary isometric contraction and kinetic and kinematics parameters during the swimming jump start, at 3 instants: INI (2 weeks before the training program, control period), PRE (2 weeks after INI measurements), and POST (24-48 hours after 9 weeks of training). There were no significant changes from INI to PRE measurements. However, the peak torque and rate of torque development increased significantly from PRE to POST measurements for both hip (47 and 108%) and knee (24 and 41%) joints. There were significant improvements to the horizontal force (7%), impulse (9%), and angle of resultant force (19%). In addition, there were significant improvements to the center of mass displacement (5%), horizontal takeoff velocity (16%), horizontal velocity at water entrance (22%), and peak angle velocity for the knee (15%) and hip joints (16%). Therefore, the plyometric long jump training protocol was effective to enhance torque around the lower limb joints and to control the resultant vector direction, to increase the swimming jump start performance. These findings suggest that coaches should use long jump training instead of vertical jump training to improve swimming start performance.

  11. ULYSSES plasma parameters: latitudinal, radial, and temporal variations.

    NASA Astrophysics Data System (ADS)

    Goldstein, B. E.; Neugebauer, M.; Phillips, J. L.; Bame, S.; Gosling, J. T.; McComas, D.; Wang, Y.-M.; Sheeley, N. R.; Suess, S. T.

    1996-12-01

    Observations by the Ulysses SWOOPS plasma experiment are used to investigate spatial and temporal gradients during the mission, with emphasis on more recent high latitude observations including the recent South Pole to North Pole passage during solar minimum. Compared to lower latitudes, the high latitude solar wind had higher average speed, proton temperature, and momentum flux, and lower number flux density. As the average momentum flux observed in the high speed wind was 21% greater than at the equator, during solar minimum the distance to the heliopause will be comparatively less in the solar equatorial plane than over the poles. The long term temporal gradients of momentum flux over the life of the mission are considerably larger than the latitudinal gradient observed by Ulysses during solar minimum. A modest North-South high latitude asymmetry is observed in the plasma parameters; the velocity is on the average 13km/s to 24km/s greater at Northern latitudes than at Southern, and temperature is also higher. The North-South temperature asymmetry is greater than can be explained by the North-South velocity difference and the dependence of solar wind temperature upon speed. The power law dependence of temperature on heliocentric distance, r, at high latitudes is in range r^-0.81^ to r^-1.03^, where r^-0.81^ is the Southern latitude result and r^-1.03^ the Northern. The parameter T/n^1/2^, where T is temperature and n is proton number density, can be better predicted from speed than can temperature alone. Comparison with calculations based on source models and magnetograph data indicate that the expansion of open coronal field lines close to the Sun was greater in the Southern hemisphere than in the Northern; this anticorrelation with the expansion factor is consistent with previous observational and theoretical work.

  12. Gas phase NMR spectra of N,N-dimethylnitrosamine. Environmental effects on kinetic parameters

    NASA Astrophysics Data System (ADS)

    Chauvel, J. Paul; Leung, Doris Y.; True, Nancy S.

    1984-04-01

    Gas phase 1H NMR spectra of N,N-dimethylnitrosamine are consistent with first order chemical exchange rate constants which are ca. 25 times faster than those observed in neat liquids at corresponding temperatures. The associated kinetic parameters: Eact(∞), 20.5(1.1) kcal mol -1, Δ H‡, 19.7(1.0) kcal mol -1 and Δ G‡, 21.1(0.4) kcal mol -1 are approximately 2.5 kcal mol -1 lower than the most recently reported values for the neat liquid. The observed phase dependence is consistent with a process proceeding via a freely rotating transition state.

  13. Influence of ultrasound-assisted extraction on the pyrolysis characteristics and kinetic parameters of eucalyptus.

    PubMed

    Wang, Zhenyu; He, Zhengbin; Zhao, Zijian; Yi, Songlin; Mu, Jun

    2017-07-01

    In this study, the influence of ultrasound-assisted extraction on eucalyptus samples with special focus on pyrolysis characteristics and kinetic parameters was explored. Ultrasound and Soxhlet extraction were used to pretreat samples respectively, then samples were assayed by component analysis, TG-FTIR, and kinetic analysis. Ultrasound-assisted extraction did change the physiochemical characteristics of eucalyptus samples, particularly in regards to the quantity of extractives obtained. In TG and DTG curves, ultrasound-extracted samples reflected lower residual weight ratio (17.77%) and higher maximum weight loss rate (-22.92%/min), and were accompanied by a slight shift in the weight loss rate peak to lower temperature (366°C). The volatiles produced during pyrolysis and the discrepancies of product distribution between experimental and controlled groups were explored based on TG-FTIR spectra. According to kinetic analysis results, ultrasound-treated samples showed higher activation energy at the primary portion of thermal degradation with an average of 206.09kJ/mol. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Direct determination of enzyme kinetic parameters from single reactions using a new progress curve analysis tool.

    PubMed

    Bäuerle, Felix; Zotter, Agnes; Schreiber, Gideon

    2016-10-15

    With computer-based data-fitting methods becoming a standard tool in biochemistry, progress curve analysis of enzyme kinetics is a feasible, yet seldom used tool. Here we present a versatile Matlab-based tool (PCAT) to analyze catalysis progress curves with three complementary model approaches. The first two models are based on the known closed-form solution for this problem: the first describes the required Lambert W function with an analytical approximation and the second provides a numerical solution of the Lambert W function. The third model is a direct simulation of the enzyme kinetics. Depending on the chosen model, the tools excel in speed, accuracy or initial value requirements. Using simulated and experimental data, we show the strengths and pitfalls of the different fitting models. Direct simulation proves to have the highest level of accuracy, but it also requires reasonable initial values to converge. Finally, we propose a standard procedure to obtain optimized enzyme kinetic parameters from single progress curves.

  15. 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.

  16. The Influence of Various Process Parameters on Dissolution Kinetics and Mechanism of Struvite Seed Crystals

    NASA Astrophysics Data System (ADS)

    Ariyanto, Eko; Ang, Ha Ming; Sen, Tushar Kanti

    2017-07-01

    The basic understanding of struvite dissolution chemistry is essential to designers and operators for anticipating struvite problem and remediating existing struvite damage in a wastewater treatment. The dissolution kinetic of struvite seed crystals is very important parameters to determine a solid substance entering in solvent to yield a solution. In this study the dissolution kinetics of struvite crystals (MgNH4PO4·6H2O) in deionized water was investigated in a batch crystallizer. The effects of stirrer speeds, temperature and seed crystals size on the dissolution rate were determined. The results showed that an increase of struvite dissolution rate with increasing stirring speed. Struvite dissolution occurred via a diffusion-controlled mechanism in the range of stirrer speeds 120-400 rpm but became interfacial-reaction-controlling at over 400 rpm. The influence of temperature on dissolution kinetic of struvite crystals was also investigated at stirrer speeds of 200 and 500 rpm. The dissolution rates increased with an increase in the temperature for both stirrer speeds. The change in activation energies at different stirrer speeds confirmed that the change of dissolution mechanism from a diffusion-controlled mechanism at low stirrer speeds to an interfacial-reaction-controlled mechanism at higher stirrer speeds. The dissolution rate of struvite crystals increased with smaller crystal sizes.

  17. 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, τ, 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 τ, 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

  18. Accounting for the kinetics in order parameter analysis: lessons from theoretical models and a disordered peptide.

    PubMed

    Berezovska, Ganna; Prada-Gracia, Diego; Mostarda, Stefano; Rao, Francesco

    2012-11-21

    Molecular simulations as well as single molecule experiments have been widely analyzed in terms of order parameters, the latter representing candidate probes for the relevant degrees of freedom. Notwithstanding this approach is very intuitive, mounting evidence showed that such descriptions are inaccurate, leading to ambiguous definitions of states and wrong kinetics. To overcome these limitations a framework making use of order parameter fluctuations in conjunction with complex network analysis is investigated. Derived from recent advances in the analysis of single molecule time traces, this approach takes into account the fluctuations around each time point to distinguish between states that have similar values of the order parameter but different dynamics. Snapshots with similar fluctuations are used as nodes of a transition network, the clusterization of which into states provides accurate Markov-state-models of the system under study. Application of the methodology to theoretical models with a noisy order parameter as well as the dynamics of a disordered peptide illustrates the possibility to build accurate descriptions of molecular processes on the sole basis of order parameter time series without using any supplementary information.

  19. Determination of the kinetic parameters of BeO using isothermal decay method.

    PubMed

    Azorin Nieto, Juan; Vega, Claudia Azorin; Montalvo, Teodoro Rivera; Cabrera, Eugenio Torijano

    2016-02-01

    Most of the existing methods for obtaining the frequency factors make use of the trap depth (activation energy) making some assumptions about the order of the kinetics. This causes inconsistencies in the reported values of trapping parameters due that the values of the activation energy obtained by different methods differ appreciably among them. Then, it is necessary to use a method independent of the trap depth making use of the isothermal luminescence decay (ILD) method. The trapping parameters associated with the prominent glow peak of BeO (280°C) are reported using ILD method. As a check, the trap parameters are also calculated by glow curve shape (Chen's) method after isolating the prominent glow peak by thermal cleaning technique. Our results show a very good agreement between the trapping parameters calculated by the two methods. ILD method was used for determining the trapping parameters of BeO. Results obtained applying this method are in good agreement with those obtained using other methods, except in the value of the frequency factor.

  20. 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

  1. Effects of Spatial Variations in Packing Fraction on Reactor Physics Parameters in Pebble-Bed Reactors

    SciTech Connect

    William K. Terry; A. M. Ougouag; Farzad Rahnema; Michael Scott McKinley

    2003-04-01

    The well-known spatial variation of packing fraction near the outer boundary of a pebble-bed reactor core is cited. The ramifications of this variation are explored with the MCNP computer code. It is found that the variation has negligible effects on the global reactor physics parameters extracted from the MCNP calculations for use in analysis by diffusion-theory codes, but for local reaction rates the effects of the variation are naturally important. Included is some preliminary work in using first-order perturbation theory for estimating the effect of the spatial variation of packing fraction on the core eigenvalue and the fision density distribution.

  2. Effects of Spatial Variations in Packing Fraction of Reactor Physics Parameters in Pebble-Bed Reactors

    SciTech Connect

    Terry, W K; Ougouag, A M; Rahnema, F; Mckinley, M S

    2003-06-11

    The well-known spatial variation of packing fraction near the outer boundary of a pebble-bed reactor core is cited. The ramifications of this variation are explored with the MCNP computer code. It is found that the variation has negligible effects on the global reactor physics parameters extracted from the MCNP calculations for use in analysis by diffusion-theory codes, but for local reaction rates the effects of the variation are naturally important. Included is some preliminary work in using first-order perturbation theory for estimating the effect of the spatial variation of packing fraction on the core eigenvalue and the fission density distribution.

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

    PubMed Central

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

    2015-01-01

    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

  4. A computer program for enzyme kinetics that combines model discrimination, parameter refinement and sequential experimental design.

    PubMed Central

    Franco, R; Gavaldà, M T; Canela, E I

    1986-01-01

    A method of model discrimination and parameter estimation in enzyme kinetics is proposed. The experimental design and analysis of the model are carried out simultaneously and the stopping rule for experimentation is deduced by the experimenter when the probabilities a posteriori indicate that one model is clearly superior to the rest. A FORTRAN77 program specifically developed for joint designs is given. The method is very powerful, as indicated by its usefulness in the discrimination between models. For example, it has been successfully applied to three cases of enzyme kinetics (a single-substrate Michaelian reaction with product inhibition, a single-substrate complex reaction and a two-substrate reaction). By using this method the most probable model and the estimates of the parameters can be obtained in one experimental session. The FORTRAN77 program is deposited as Supplementary Publication SUP 50134 (19 pages) at the British Library (Lending Division), Boston Spa, Wetherby, West Yorkshire LS23 7BQ, U.K., from whom copies can be obtained on the terms indicated in Biochem. J. (1986) 233, 5. PMID:3800965

  5. [Measurement of kinetic parameters of skeletal muscle protein synthesis in rats by deuterated water].

    PubMed

    Tian, Ying; Dai, Qian-Qian; Meng, Chan-Fang; Sun, Yi; Peng, Jing; Chen, Yu

    2017-06-25

    The aim of the present study was to measure the kinetic parameters of skeletal muscle protein synthesis in rats by deuterated water ((2)H2O). Twenty Sprague-Dawley (SD) rats were labeled by (2)H2O through intraperitoneal injection and drinking. At the each end of the 1st, 3rd, 5th, 6th and 10th week after the first (2)H2O labeling, four rats were sacrificed by cardiac puncture for blood plasma and quadriceps femoris sampling. Skeletal muscle protein and free amino acids in plasma were purified, hydrolyzed by hydrochloric acid and derived. The deuterium enrichments of (2)H-labeled alanyl in skeletal muscle protein and plasma protein-bound (2)H-labeled alanine were determined by gas chromatography-mass spectrometry (GC-MS). The fractional synthesis rate of skeletal muscle protein and synthetic dynamic equation were calculated. The fractional synthetic rate of skeletal muscle protein was 12.8%/week, and synthetic dynamic equation was ft = 0.158 × (1 - e(-0.128t)). The results suggest that the kinetic parameters of skeletal muscle protein synthesis can be measured by (2)H2O labeling, and the method can be applied in long-term labeling experiment.

  6. Optimization of glycerol fed-batch fermentation in different reactor states: a variable kinetic parameter approach.

    PubMed

    Xie, Dongming; Liu, Dehua; Zhu, Haoli; Zhang, Jianan

    2002-05-01

    To optimize the fed-batch processes of glycerol fermentation in different reactor states, typical bioreactors including 500-mL shaking flask, 600-mL and 15-L airlift loop reactor, and 5-L stirred vessel were investigated. It was found that by reestimating the values of only two variable kinetic parameters associated with physical transport phenomena in a reactor, the macrokinetic model of glycerol fermentation proposed in previous work could describe well the batch processes in different reactor states. This variable kinetic parameter (VKP) approach was further applied to model-based optimization of discrete-pulse feed (DPF) strategies of both glucose and corn steep slurry for glycerol fed-batch fermentation. The experimental results showed that, compared with the feed strategies determined just by limited experimental optimization in previous work, the DPF strategies with VKPs adjusted could improve glycerol productivity at least by 27% in the scale-down and scale-up reactor states. The approach proposed appeared promising for further modeling and optimization of glycerol fermentation or the similar bioprocesses in larger scales.

  7. Maximum likelihood estimation of protein kinetic parameters under weak assumptions from unfolding force spectroscopy experiments

    NASA Astrophysics Data System (ADS)

    Aioanei, Daniel; Samorì, Bruno; Brucale, Marco

    2009-12-01

    Single molecule force spectroscopy (SMFS) is extensively used to characterize the mechanical unfolding behavior of individual protein domains under applied force by pulling chimeric polyproteins consisting of identical tandem repeats. Constant velocity unfolding SMFS data can be employed to reconstruct the protein unfolding energy landscape and kinetics. The methods applied so far require the specification of a single stretching force increase function, either theoretically derived or experimentally inferred, which must then be assumed to accurately describe the entirety of the experimental data. The very existence of a suitable optimal force model, even in the context of a single experimental data set, is still questioned. Herein, we propose a maximum likelihood (ML) framework for the estimation of protein kinetic parameters which can accommodate all the established theoretical force increase models. Our framework does not presuppose the existence of a single force characteristic function. Rather, it can be used with a heterogeneous set of functions, each describing the protein behavior in the stretching time range leading to one rupture event. We propose a simple way of constructing such a set of functions via piecewise linear approximation of the SMFS force vs time data and we prove the suitability of the approach both with synthetic data and experimentally. Additionally, when the spontaneous unfolding rate is the only unknown parameter, we find a correction factor that eliminates the bias of the ML estimator while also reducing its variance. Finally, we investigate which of several time-constrained experiment designs leads to better estimators.

  8. Respirometric measurement of kinetic parameters: effect of activated sludge floc size.

    PubMed

    Chu, K H; van Veldhuizen, H M; van Loosdrecht, M C M

    2003-01-01

    The variation of activated sludge floc size with the mixing intensity of a mechanically stirred respirometer, expressed in terms of the mean energy dissipation rate, was characterized using a photometric dispersion analyzer. The floc size decreased rapidly when the energy dissipation rate was increased from 1.33 x 10(-3) to 2.68 x 10(-3) W/kg. Experiments were performed to investigate the effect of floc size on the oxygen saturation coefficient measured under the condition of acetate oxidation. The respirometric data were interpreted by considering only the kinetics of biochemical reactions. The variation of the oxygen saturation coefficient with mixing intensity was found to correlate with the variation of floc size with mixing intensity. The oxygen saturation coefficient was found to decrease from 0.23 to 0.08 mg/L when the mean energy dissipation rate was increased from 1.33 x 10(-3) to 2.68 x 10(-3) W/kg. The dependence of the oxygen saturation coefficient on floc size or mixing intensity suggests the presence of mass transfer resistances in large flocs.

  9. Design of noninteracting flight control systems in the presence of large parameter variations

    NASA Technical Reports Server (NTRS)

    Barnes, F. S.

    1977-01-01

    The effects of system parameter variations on the over-all system stability were considered. Results from the application of numerical minimization to reduce system coupling are given and some future research directions are outlined.

  10. Numerical simulation of electro-osmotic consolidation coupling non-linear variation of soil parameters

    NASA Astrophysics Data System (ADS)

    Wu, Hui; Hu, Liming; Wen, Qingbo

    2017-06-01

    Electro-osmotic consolidation is an effective method for soft ground improvement. A main limitation of previous numerical models on this technique is the ignorance of the non-linear variation of soil parameters. In the present study, a multi-field numerical model is developed with the consideration of the non-linear variation of soil parameters during electro-osmotic consolidation process. The numerical simulations on an axisymmetric model indicated that the non-linear variation of soil parameters showed remarkable impact on the development of the excess pore water pressure and degree of consolidation. A field experiment with complex geometry, boundary conditions, electrode configuration and voltage application was further simulated with the developed numerical model. The comparison between field and numerical data indicated that the numerical model coupling of the non-linear variation of soil parameters gave more reasonable results. The developed numerical model is capable to analyze engineering cases with complex operating conditions.

  11. Study of inertia welding: the sensitivity of weld configuration and strength to variations in welding parameters

    SciTech Connect

    Mote, M.W.

    1981-12-01

    An experiment is described which is designed to demonstrate the forgiveness of inertia welding, that is, the relative insensitivity of weld strength to variations in energy (rotational speed of parts) and axial force. Although easily observed variations in the welding parameters produced easily observed changes in weldment configuration and changes in dimension (upset), only extremes in parameters produced changes in weld strength. Consequently, process monitoring and product inspection would be sufficient for quality assurance in a production environment.

  12. Variations of geophysical and biological parameters observed at a solar eclipse.

    NASA Astrophysics Data System (ADS)

    Predeanu, I.

    A total solar eclipse is accompanied by specific changes in the terrestrial magnetosphere, ionosphere and atmosphere. Certain effects also appear in several terrestrial parameters at ground level: air temperature, geomagnetic field and radio wave propagation all exhibit clear variations at the occurrence of the eclipse. At the same time, during a total solar eclipse, variations have been noticed in certain vital activities and physiological parameters of different organisms (insects, marine animals, sheep, humans).

  13. Variational perturbation and extended Plefka approaches to dynamics on random networks: the case of the kinetic Ising model

    NASA Astrophysics Data System (ADS)

    Bachschmid-Romano, L.; Battistin, C.; Opper, M.; Roudi, Y.

    2016-10-01

    We describe and analyze some novel approaches for studying the dynamics of Ising spin glass models. We first briefly consider the variational approach based on minimizing the Kullback-Leibler divergence between independent trajectories and the real ones and note that this approach only coincides with the mean field equations from the saddle point approximation to the generating functional when the dynamics is defined through a logistic link function, which is the case for the kinetic Ising model with parallel update. We then spend the rest of the paper developing two ways of going beyond the saddle point approximation to the generating functional. In the first one, we develop a variational perturbative approximation to the generating functional by expanding the action around a quadratic function of the local fields and conjugate local fields whose parameters are optimized. We derive analytical expressions for the optimal parameters and show that when the optimization is suitably restricted, we recover the mean field equations that are exact for the fully asymmetric random couplings (Mézard and Sakellariou 2011 J. Stat. Mech. 2011 L07001). However, without this restriction the results are different. We also describe an extended Plefka expansion in which in addition to the magnetization, we also fix the correlation and response functions. Finally, we numerically study the performance of these approximations for Sherrington-Kirkpatrick type couplings for various coupling strengths and the degrees of coupling symmetry, for both temporally constant but random, as well as time varying external fields. We show that the dynamical equations derived from the extended Plefka expansion outperform the others in all regimes, although it is computationally more demanding. The unconstrained variational approach does not perform well in the small coupling regime, while it approaches dynamical TAP equations of (Roudi and Hertz 2011 J. Stat. Mech. 2011 P03031) for strong couplings.

  14. Kinetic modeling of molecular motors: pause model and parameter determination from single-molecule experiments

    NASA Astrophysics Data System (ADS)

    Morin, José A.; Ibarra, Borja; Cao, Francisco J.

    2016-05-01

    Single-molecule manipulation experiments of molecular motors provide essential information about the rate and conformational changes of the steps of the reaction located along the manipulation coordinate. This information is not always sufficient to define a particular kinetic cycle. Recent single-molecule experiments with optical tweezers showed that the DNA unwinding activity of a Phi29 DNA polymerase mutant presents a complex pause behavior, which includes short and long pauses. Here we show that different kinetic models, considering different connections between the active and the pause states, can explain the experimental pause behavior. Both the two independent pause model and the two connected pause model are able to describe the pause behavior of a mutated Phi29 DNA polymerase observed in an optical tweezers single-molecule experiment. For the two independent pause model all parameters are fixed by the observed data, while for the more general two connected pause model there is a range of values of the parameters compatible with the observed data (which can be expressed in terms of two of the rates and their force dependencies). This general model includes models with indirect entry and exit to the long-pause state, and also models with cycling in both directions. Additionally, assuming that detailed balance is verified, which forbids cycling, this reduces the ranges of the values of the parameters (which can then be expressed in terms of one rate and its force dependency). The resulting model interpolates between the independent pause model and the indirect entry and exit to the long-pause state model

  15. 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%.

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

    SciTech Connect

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

    2014-01-01

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

  17. Spectral and kinetic parameters of phosphorescence of triplet chlorophyll a in the photosynthetic apparatus of plants.

    PubMed

    Krasnovsky, A A; Kovalev, Yu V

    2014-04-01

    Spectral and kinetic parameters and quantum yield of IR phosphorescence accompanying radiative deactivation of the chlorophyll a (Chl a) triplet state were compared in pigment solutions, greening and mature plant leaves, isolated chloroplasts, and thalluses of macrophytic marine algae. On the early stages of greening just after the Shibata shift, phosphorescence is determined by the bulk Chl a molecules. According to phosphorescence measurement, the quantum yield of triplet state formation is not less than 25%. Further greening leads to a strong decrease in the phosphorescence yield. In mature leaves developing under normal irradiation conditions, the phosphorescence yield declined 1000-fold. This parameter is stable in leaves of different plant species. Three spectral forms of phosphorescence-emitting chlorophyll were revealed in the mature photosynthetic apparatus with the main emission maxima at 955, 975, and 995 nm and lifetimes ~1.9, ~1.5, and 1.1-1.3 ms. In the excitation spectra of chlorophyll phosphorescence measured in thalluses of macrophytic green and red algae, the absorption bands of Chl a and accessory pigments - carotenoids, Chl b, and phycobilins - were observed. These data suggest that phosphorescence is emitted by triplet chlorophyll molecules that are not quenched by carotenoids and correspond to short wavelength forms of Chl a coupled to the normal light harvesting pigment complex. The concentration of the phosphorescence-emitting chlorophyll molecules in chloroplasts and the contribution of these molecules to chlorophyll fluorescence were estimated. Spectral and kinetic parameters of the phosphorescence corresponding to the long wavelength fluorescence band at 737 nm were evaluated. The data indicate that phosphorescence provides unique information on the photophysics of pigment molecules, molecular organization of the photosynthetic apparatus, and mechanisms and efficiency of photodynamic stress in plants.

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

    PubMed

    Mohajer, Ardavan; Tremier, Anne; Barrington, Suzelle; Teglia, Cecile

    2010-01-01

    Composting is a feasible biological treatment for the recycling of wastewater sludge as a soil amendment. The process can be optimized by selecting an initial compost recipe with physical properties that enhance microbial activity. The present study measured the microbial O(2) uptake rate (OUR) in 16 sludge and wood residue mixtures to estimate the kinetics parameters of maximum growth rate mu(m) and rate of organic matter hydrolysis K(h), as well as the initial biodegradable organic matter fractions present. The starting mixtures consisted of a wide range of moisture content (MC), waste to bulking agent (BA) ratio (W/BA ratio) and BA particle size, which were placed in a laboratory respirometry apparatus to measure their OUR over 4 weeks. A microbial model based on the activated sludge process was used to calculate the kinetic parameters and was found to adequately reproduced OUR curves over time, except for the lag phase and peak OUR, which was not represented and generally over-estimated, respectively. The maximum growth rate mu(m), was found to have a quadratic relationship with MC and a negative association with BA particle size. As a result, increasing MC up to 50% and using a smaller BA particle size of 8-12 mm was seen to maximize mu(m). The rate of hydrolysis K(h) was found to have a linear association with both MC and BA particle size. The model also estimated the initial readily biodegradable organic matter fraction, MB(0), and the slower biodegradable matter requiring hydrolysis, MH(0). The sum of MB(0) and MH(0) was associated with MC, W/BA ratio and the interaction between these two parameters, suggesting that O(2) availability was a key factor in determining the value of these two fractions. The study reinforced the idea that optimization of the physical characteristics of a compost mixture requires a holistic approach. 2010 Elsevier Ltd. All rights reserved.

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

    SciTech Connect

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

    1995-05-01

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

  20. Large variation in the Rubisco kinetics of diatoms reveals diversity among their carbon-concentrating mechanisms

    PubMed Central

    Young, Jodi N.; Heureux, Ana M.C.; Sharwood, Robert E.; Rickaby, Rosalind E.M.; Morel, François M.M.; Whitney, Spencer M.

    2016-01-01

    While marine phytoplankton rival plants in their contribution to global primary productivity, our understanding of their photosynthesis remains rudimentary. In particular, the kinetic diversity of the CO2-fixing enzyme, Rubisco, in phytoplankton remains unknown. Here we quantify the maximum rates of carboxylation (k cat c), oxygenation (k cat o), Michaelis constants (K m) for CO2 (K C) and O2 (K O), and specificity for CO2 over O2 (SC/O) for Form I Rubisco from 11 diatom species. Diatom Rubisco shows greater variation in K C (23–68 µM), SC/O (57–116mol mol−1), and K O (413–2032 µM) relative to plant and algal Rubisco. The broad range of K C values mostly exceed those of C4 plant Rubisco, suggesting that the strength of the carbon-concentrating mechanism (CCM) in diatoms is more diverse, and more effective than previously predicted. The measured k cat c for each diatom Rubisco showed less variation (2.1–3.7s−1), thus averting the canonical trade-off typically observed between K C and k cat c for plant Form I Rubisco. Uniquely, a negative relationship between K C and cellular Rubisco content was found, suggesting variation among diatom species in how they allocate their limited cellular resources between Rubisco synthesis and their CCM. The activation status of Rubisco in each diatom was low, indicating a requirement for Rubisco activase. This work highlights the need to better understand the correlative natural diversity between the Rubisco kinetics and CCM of diatoms and the underpinning mechanistic differences in catalytic chemistry among the Form I Rubisco superfamily. PMID:27129950

  1. Optimal Variational Approximations to Renormalization Groups. II. Determination of Optimal Parameters

    NASA Astrophysics Data System (ADS)

    Barber, Michael N.

    1980-03-01

    An algorithm for determining the sequence of variational parameters in a variational approximation to a real-space renormalization group is developed. Using this procedure, the Kadanoff one-hypercube approximation for the two-dimensional Ising model is investigated in some detail. We conclude that the apparent success of this method is somewhat fortuitous; a consistent and completely optimized treatment yielding considerably poorer estimates of the specific heat exponents. In addition, the variational parameter is found to be non-analytic at the fixed point. The nature of singularity agrees with the predictions of van Saarloos, van Leeuwen, and Pruisken.

  2. Does a foot-drop implant improve kinetic and kinematic parameters in the foot and ankle?

    PubMed

    Daniilidis, Kiriakos; Jakubowitz, Eike; Thomann, Anna; Ettinger, Sarah; Stukenborg-Colsman, Christina; Yao, Daiwei

    2017-04-01

    Unlike the drop foot therapy with ortheses, the therapeutic effect of an implantable peroneus nerve stimulator (iPNS) is not well described. IPNS is a dynamic therapy option which is placed directly to the motoric part of the peroneal nerve and evokes a dorsiflexion of the paralysed foot. This retrospective study evaluates the kinematics and kinetics in drop foot patients who were treated with an iPNS. 18 subjects (mean age 51.3 years) with a chronic stroke-related drop foot were treated with an implantable peroneal nerve stimulator. After a mean follow-up from 12.5 months, kinematics and kinetics as well as spatiotemporal parameters were evaluated and compared in activated and deactivated iPNS. Therefore, a gait analysis with motion capture system (Vicon Motion System Ltd®, Oxford, UK) and Plug-in-Gait model was performed. The study showed significantly improved results in ankle dorsiflexion from 6.8° to 1.8° at the initial contact and from -7.3° to 0.9° during swing phase (p ≤ 0.004 and p ≤ 0.005, respectively). Likewise, we could measure improved kinetics, i.a. with a statistically significant improvement in vertical ground reaction force at loading response from 99.76 to 106.71 N/kg (p = 0.043). Enhanced spatiotemporal results in cadence, douple support, stride length, and walking speed could also be achieved, but without statistical significance (p > 0.05). The results show statistically significant improvement in ankle dorsiflexion and vertical ground reaction forces. These facts indicate a more gait stability and gait efficacy. Therefore, the use of an iPNS appears an encouraging therapeutic option for patients with a stroke-related drop foot.

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

    PubMed

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

    2010-12-14

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

  4. Needle parameter variation of mature black spruce families displaying a genetic x environment interaction in growth

    Treesearch

    John E. Major; Kurt H. Johnsen; Debby C. Barsi; Moira Campbell

    2013-01-01

    To examine soil moisture stress, light, and genetic effects on individual needle parameters and investigate total needle contribution to productivity, individual and total needle parameter variation were quantified in 32-year-old black spruce from five crown positions from four full-sib families studied previously for drought tolerance and differential productivity on...

  5. Integrated modeling methodology for microtubule dynamics and Taxol kinetics with experimentally identifiable parameters.

    PubMed

    Zhao, He; Sokhansanj, Bahrad A

    2007-10-01

    Microtubule dynamics play a critical role in cell function and stress response, modulating mitosis, morphology, signaling, and transport. Drugs such as paclitaxel (Taxol) can impact tubulin polymerization and affect microtubule dynamics. While theoretical methods have been previously proposed to simulate microtubule dynamics, we develop a methodology here that can be used to compare model predictions with experimental data. Our model is a hybrid of (1) a simple two-state stochastic formulation of tubulin polymerization kinetics and (2) an equilibrium approximation for the chemical kinetics of Taxol drug binding to microtubule ends. Model parameters are biologically realistic, with values taken directly from experimental measurements. Model validation is conducted against published experimental data comparing optical measurements of microtubule dynamics in cultured cells under normal and Taxol-treated conditions. To compare model predictions with experimental data requires applying a "windowing" strategy on the spatiotemporal resolution of the simulation. From a biological perspective, this is consistent with interpreting the microtubule "pause" phenomenon as at least partially an artifact of spatiotemporal resolution limits on experimental measurement.

  6. Kinetic parameters for thermal decomposition of supramolecular polymers derived from diclofenac-meglumine supramolecular adducts.

    PubMed

    Cassimiro, Douglas L; Ferreira, Leonardo M B; Capela, Jorge M V; Crespi, Marisa S; Ribeiro, Clóvis A

    2013-01-25

    Meglumine is an aminocarbohydrate able to form supramolecular adducts with organic acids. The recognition is based on hydrogen bonds and the structures resulting from the complexation have high solubility in water. This property has been exploited by the pharmaceutical industry in the improvement of existing drugs, and the successful example of this approach involves the poorly soluble non-steroidal anti-inflammatory drugs (NSAIDs). Investigation of the thermal behavior of adduct obtained from meglumine and the NSAID diclofenac revealed that a polymer-like material is formed from the self-assembly of diclofenac-meglumine adducts in the melt. This polymer showed a high molecular weight around 2.0×10(5)kDa. The kinetic parameters for the thermal decomposition step of the polymer were determined by the Capela-Ribeiro non-linear isoconversional method. From data for the TG curves in nitrogen atmosphere and heating rates of 5, 10, 15 and 20°Cmin(-1), the E(α) and B(α) terms could be determined, and consequently the pre-exponential factor, A(α), as well as the kinetic model, g(α). Copyright © 2012 Elsevier B.V. All rights reserved.

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

    PubMed

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

    2015-11-01

    This paper reports the pyrolysis study of Phlomis bovei biomass by thermogravimetric experiments in order to determine the thermal degradation behavior and kinetic parameters. The weight losses were found to occur in three stages. In the DTG thermograms, an increase of the heating rate tended to delay thermal degradation processes towards higher temperatures. The average values of activation energy and pre-exponential factor calculated from Ozawa-Flynn-Wall, Kissinger-Akahira-Sunose and Kissinger methods are 134.83, 134.06, 223.31kJ/mol and 4.1610(13), 1.1810(10), 2.8110(11)/s, respectively. The three-pseudo-component method shows that the activation energy increases with increasing the heating rate for hemicellulose and cellulose while the activation energy of the lignin decreased with an increase of the heating rate. Predicted results and experimental data exhibit similar tendencies and the three pseudo-components model with n different from unity 1 is recommended as the most suitable for prediction of kinetic behavior of Phlomis bovei de Noé. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

    PubMed

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

    2002-01-01

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

  9. A new multi-wavelength model-based method for determination of enzyme kinetic parameters.

    PubMed

    Sorouraddin, Mohammad-Hossein; Amini, Kaveh; Naseri, Abdolhossein; Vallipour, Javad; Hanaee, Jalal; Rashidi, Mohammad-Reza

    2010-09-01

    Lineweaver-Burk plot analysis is the most widely used method to determine enzyme kinetic parameters. In the spectrophotometric determination of enzyme activity using the Lineweaver-Burk plot, it is necessary to find a wavelength at which only the substrate or the product has absorbance without any spectroscopic interference of the other reaction components. Moreover, in this method, different initial concentrations of the substrate should be used to obtain the initial velocities required for Lineweaver-Burk plot analysis. In the present work, a multi-wavelength model-based method has been developed and validated to determine Michaelis-Menten constants for some enzyme reactions. In this method, a selective wavelength region and several experiments with different initial concentrations of the substrate are not required. The absorbance data of the kinetic assays are fitted by non-linear regression coupled to the numeric integration of the related differential equation. To indicate the applicability of the proposed method, the Michaelis-Menten constants for the oxidation of phenanthridine, 6-deoxypenciclovir and xanthine by molybdenum hydroxylases were determined using only a single initial concentration of the substrate, regardless of any spectral overlap.

  10. Secular variations of the photometric parameters of Mira Ceti variables and semiregular variables

    NASA Astrophysics Data System (ADS)

    Marsakova, V. I.

    2014-06-01

    The photometric properties of long-period variable stars and problems related to their traditional classification are analyzed. A general review of secular variations of such light-curve parameters studied in our previous papers as the period, amplitude, and mean brightness is given. Several types of Mira Ceti stars that differ in the secular period variation pattern are identified. A connection between the secular amplitude variations of certain variables with the effect of multiperiodicity is revealed. It is shown that the pattern of these variations and their numerical properties may be used to classify these variable stars.

  11. Mathematical model for studying the variation of the electrical parameters in functioning of nonlinear loads

    NASA Astrophysics Data System (ADS)

    Rob, Raluca; Rat, Cezara

    2013-10-01

    This paper presents a study concerning the variation of the most important electrical parameters, measured during the functioning of an electrothermal installation with electromagnetic induction. Two measuring methods are described: the first method consists in using a power and energy quality analyzer and the second uses a data acquisition system that contains an adapting interface and a data acquisition board connected to a computer. In order to compute the electrical parameters, a LabVIEW application was designed. The data acquisition system is able to measure in real time the variation of the parameters and also to save the obtained information.

  12. Kinetic study of the anaerobic biodegradation of alkyl polyglucosides and the influence of their structural parameters.

    PubMed

    Ríos, Francisco; Fernández-Arteaga, Alejandro; Lechuga, Manuela; Jurado, Encarnación; Fernández-Serrano, Mercedes

    2016-05-01

    This paper reports a study of the anaerobic biodegradation of non-ionic surfactants alkyl polyglucosides applying the method by measurement of the biogas production in digested sludge. Three alkyl polyglucosides with different length alkyl chain and degree of polymerization of the glucose units were tested. The influence of their structural parameters was evaluated, and the characteristics parameters of the anaerobic biodegradation were determined. Results show that alkyl polyglucosides, at the standard initial concentration of 100 mgC L(-1), are not completely biodegradable in anaerobic conditions because they inhibit the biogas production. The alkyl polyglucoside having the shortest alkyl chain showed the fastest biodegradability and reached the higher percentage of final mineralization. The anaerobic process was well adjusted to a pseudo first-order equation using the carbon produced as gas during the test; also, kinetics parameters and a global rate constant for all the involved metabolic process were determined. This modeling is helpful to evaluate the biodegradation or the persistence of alkyl polyglucosides under anaerobic conditions in the environment and in the wastewater treatment.

  13. Automatic regularization parameter selection by generalized cross-validation for total variational Poisson noise removal.

    PubMed

    Zhang, Xiongjun; Javidi, Bahram; Ng, Michael K

    2017-03-20

    In this paper, we propose an alternating minimization algorithm with an automatic selection of the regularization parameter for image reconstruction of photon-counted images. By using the generalized cross-validation technique, the regularization parameter can be updated in the iterations of the alternating minimization algorithm. Experimental results show that our proposed algorithm outperforms the two existing methods, the maximum likelihood expectation maximization estimator with total variation regularization and the primal dual method, where the parameters must be set in advance.

  14. Kinetics of surface segregation in metallic alloys with first-principles interaction parameters

    SciTech Connect

    Wille, L.T. |; Ouannasser, S.; Dreysse, H.

    1996-12-31

    The authors report the results of Monte Carlo simulations of the kinetics of surface segregation at the (001) face of CuNi and MoW alloys. These two systems were selected because they are based on different lattice structures and show contrasting segregation behavior: CuNi exhibits a monotonic profile, while that of MoW is oscillatory. To describe the energetics they have determined a set of effective cluster interactions (ECI) which govern the ordering or clustering tendencies of these alloys. The ECI were obtained by means of tight-binding electronic structure calculations in which no adjustable or experimentally determined parameters were used. Equilibrium segregation profiles are calculated and a series of quenches are performed. The layer concentrations are studied as a function of time and the existence of metastable phases in the surface region is investigated.

  15. Growth kinetic and fuel quality parameters as selective criterion for screening biodiesel producing cyanobacterial strains.

    PubMed

    Gayathri, Manickam; Shunmugam, Sumathy; Mugasundari, Arumugam Vanmathi; Rahman, Pattanathu K S M; Muralitharan, Gangatharan

    2017-09-11

    The efficiency of cyanobacterial strains as biodiesel feedstock varies with the dwelling habitat. Fourteen indigenous heterocystous cyanobacterial strains from rice field ecosystem were screened based on growth kinetic and fuel parameters. The highest biomass productivity was obtained in Nostoc punctiforme MBDU 621 (19.22mg/L/day) followed by Calothrix sp. MBDU 701 (13.43mg/L/day). While lipid productivity and lipid content was highest in Nostoc spongiaeforme MBDU 704 (4.45mg/L/day and 22.5%dwt) followed by Calothrix sp. MBDU 701 (1.54mg/L/day and 10.75%dwt). Among the tested strains, Nostoc spongiaeforme MBDU 704 and Nostoc punctiforme MBDU 621 were selected as promising strains for good quality biodiesel production by Preference Ranking Organization Method for Enrichment Evaluation (PROMETHEE) and Graphical Analysis for Interactive Assistance (GAIA) analysis. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. The behavior of kinetic parameters in production of pectinase and xylanase by solid-state fermentation.

    PubMed

    Rodríguez-Fernández, D E; Rodríguez-León, J A; de Carvalho, J C; Sturm, W; Soccol, C R

    2011-11-01

    Solid-state fermentation (SSF) is defined as the growth of microbes without a free-flowing aqueous phase. The feasibility of using a citrus peel for producing pectinase and xylanase via the SSF process by Aspergillus niger F3 was evaluated in a 2 kg bioreactor. Different aeration conditions were tested to optimize the pectinase and xylanase production. The best air flow intensity was 1 V kg M (volumetric air flow per kilogram of medium), which allowed a sufficient amount of O2 for the microorganism growth producing 265 U/g and 65 U/g pectinases and xylanases, respectively. A mathematical model was applied to determine the different kinetic parameters related to SSF. The specific growth rate and biomass oxygen yield decreased during fermentation, whereas an increase in the maintenance coefficient for the different employed carbon sources was concurrently observed. Copyright © 2011 Elsevier Ltd. All rights reserved.

  17. Sensitivity of natural gas HCCI combustion to fuel and operating parameters using detailed kinetic modeling

    SciTech Connect

    Aceves, S; Dibble, R; Flowers, D; Smith, J R; Westbrook, C K

    1999-07-19

    This paper uses the HCT (Hydrodynamics, Chemistry and Transport) chemical kinetics code to analyze natural gas HCCI combustion in an engine. The HCT code has been modified to better represent the conditions existing inside an engine, including a wall heat transfer correlation. Combustion control and low power output per displacement remain as two of the biggest challenges to obtaining satisfactory performance out of an HCCI engine, and these are addressed in this paper. The paper considers the effect of natural gas composition on HCCI combustion, and then explores three control strategies for HCCI engines: DME (dimethyl ether) addition, intake heating and hot EGR addition. The results show that HCCI combustion is sensitive to natural gas composition, and an active control may be required to compensate for possible changes in composition. The three control strategies being considered have a significant effect in changing the combustion parameters for the engine, and should be able to control HCCI combustion.

  18. Kinetic parameters of the thermal degradation of the PP and nondegraded and degraded HDPE blends

    SciTech Connect

    Albano, C.; Freitas, E.

    1996-12-31

    We study the thermodegradative behavior of PP, of non-degraded and degraded HDPE and their blends, in order to analyze the thermal stability of such materials. Van-Krevelen (V-K), Coats-Redfern (C-R) and Horowitz-Metzger (H-M) integral methods as well as the Freeman-Carroll (F-C) differential one, were used to determine the kinetic parameters. The activation energy (E{sub a}) obtained for the PP mixed with non-degraded HDPE (5 to 50%) is lower than the E{sub a} correspondent to pure polymers and does not depend on the HDPE concentration. Blends of degraded materials, show an approximate value of E{sub a} of 200 kJ/mol for mixtures with concentrations by weight of HDPE up to 20%, but its value decreases drastically with higher concentrations. 11 refs., 2 tabs.

  19. Parameter identification and on-line estimation for reduced kinetic model

    SciTech Connect

    Littel, J.D.; Muske, K.R.; Del`Orco, P.C.; Le, L.A.; Flesner, R.L.

    1998-08-07

    The base hydrolysis process for the destruction of energetic or explosive materials results is a high pH hydrolysate solution with reaction products that include a series of carboxylic acid salts, glycolates, amines, and nitrates. The hydrolysate solutions obtained from this process contain from two to ten wt% of organic carbon and nitrogen compounds that must be further treated before disposal. Hydrothermal oxidation at elevated temperatures (450 C) and pressure (14,000 psi) was selected as the treatment process for the hydrolysate solutions obtained from hydrolysis of the high explosive PBX 9404 at the Department of Energy Pantex facility in Amarillo, Texas. In this work, the authors describe the use of receding horizon identification and estimation techniques to determine the model parameters for a reduced kinetic model describing the oxidation-reduction reactions in a hydrothermal oxidation reactor. This model is used in a model predictive controller that minimizes the total aqueous nitrogen in the hydrothermal oxidation reactor effluent.

  20. Determination of μd chemistry kinetic parameters for the MuSun Experiment

    NASA Astrophysics Data System (ADS)

    Raha, Nandita

    2014-09-01

    The MuSun experiment at PSI will measure the muon doublet capture rate Λd in ultra pure deuterium gas to 1.5% precision from the measured decay-electron time distribution. This reaction cleanly determines the strength of the two-nucleon weak axial current interaction. The kinetic parameters of the μd chemistry are essential for extracting Λd, which in turn are determined from the process of muon catalyzed fusion in deuterium. This process yields 3 He recoils and 2.45 MeV monoenergetic neutrons from the reaction ddμ -->3 He + n + μ . Encoded in the time dependence of the fusion products are the ddμ molecular formation rates from the F = 1 / 2 , 3 / 2 hyperfine states (λd and λq) and the hyperfine transition rate (λqd) from the higher-energy F = 3 / 2 state to the lower-energy F = 1 / 2 state. This work concentrates on the analysis of the fusion neutrons, which are detected by an array of eight neutron detectors. Pulse shape discrimination was used to distinguish neutrons from background gamma rays. A least squared fit to the time spectrum of the fusion neutrons determines the μd chemistry kinetic parameters λqd and the ratio λq / λd. The MuSun experiment at PSI will measure the muon doublet capture rate Λd in ultra pure deuterium gas to 1.5% precision from the measured decay-electron time distribution. This reaction cleanly determines the strength of the two-nucleon weak axial current interaction. The kinetic parameters of the μd chemistry are essential for extracting Λd, which in turn are determined from the process of muon catalyzed fusion in deuterium. This process yields 3 He recoils and 2.45 MeV monoenergetic neutrons from the reaction ddμ -->3 He + n + μ . Encoded in the time dependence of the fusion products are the ddμ molecular formation rates from the F = 1 / 2 , 3 / 2 hyperfine states (λd and λq) and the hyperfine transition rate (λqd) from the higher-energy F = 3 / 2 state to the lower-energy F = 1 / 2 state. This work concentrates

  1. Optimization of Process Parameters and Kinetic Model of Enzymatic Extraction of Polyphenols from Lonicerae Flos

    PubMed Central

    Kong, Fansheng; Yu, Shujuan; Bi, Yongguang; Huang, Xiaojun; Huang, Mengqian

    2016-01-01

    Objective: To optimize and verify the cellulase extraction of polyphenols from honeysuckle and provide a reference for enzymatic extracting polyphenols from honeysuckle. Materials and Methods: The uniform design was used According to Fick's first law and kinetic model, fitting analysis of the dynamic process of enzymatic extracting polyphenols was conducted. Results: The optimum enzymatic extraction parameters for polyphenols from honeysuckle are found to be 80% (v/v) of alcohol, 35:1 (mL/g) of liquid-solid ratio, 80°C of extraction temperature, 8.5 of pH, 6.0 mg of enzyme levels, and 130 min of extraction time. Under the optimal conditions, the extraction rate of polyphenols was 3.03%. The kinetic experiments indicated kinetic equation had a good linear relationship with t even under the conditions of different levels of enzyme and temperature, which means fitting curve tallies well with the experimental values. Conclusion: The results of quantification showed that the results provide a reference for enzymatic extracting polyphenols from honeysuckle. SUMMARY Lonicerae flos (Lonicera japonica Thunb.) is a material of traditional Chinese medicine and healthy drinks, of which active compounds mainly is polyphenols. At present, plant polyphenols are the hotspots centents of food, cosmetic and medicine, because it has strong bioactivity. Several traditional methods are available for the extraction of plant polyphenols including impregnation, solvent extraction, ultrasonic extraction, hot-water extraction, alkaline dilute alcohol or alkaline water extraction, microwave extraction and Supercritical CO2 extraction. But now, an increasing number of research on using cellulase to extract active ingredients from plants. Enzymatic method is widely used for enzyme have excellent properties of high reaction efficiency and specificity, moderate reaction conditions, shorter extraction time and easier to control, less damage to the active ingredient. At present, the enzymatic

  2. Kinetic and temporospatial parameters in male and female cats walking over a pressure sensing walkway

    PubMed Central

    2013-01-01

    Background Several factors may influence kinetic data measurements, including body conformation and body mass. In addition, gender differences in gait pattern have been observed in healthy humans. Therefore, the aim of this study was to compare the kinetic and temporospatial parameters in clinically healthy male and female cats using a pressure-sensitive walkway. Eighteen crossbreed adult cats were divided into two groups: G1 had ten male cats (nine neutered) aged from 1 to 4 years and body mass 3.1-6.8 kg; G2 had eight spayed female cats, aged from 1 to 6 years and body mass 3.3-4.75 kg. The data from the first five valid trials were collected for each cat. A trial was considered valid if the cat maintained a velocity between 0.54-0.74 m/s and acceleration from -0.20 to 0.20 m/s2. The peak vertical force (PVF), vertical impulse (VI), gait cycle time, stance time, swing time, stride length, and percentage body weight distribution among the four limbs were determined. In addition, the lengths of each forelimb and each hind limb were measured using a tape with the animal standing. Results No significant differences were observed in each group in either the forelimbs or the hind limbs or between the left and right sides for any of the variables. For both groups, the PVF (%BW), the VI, and the percentage body weight distribution were higher at the forelimbs than the hind limbs. The stride length was larger for males; however, the other kinetic and temporospatial variables did not show any statistically significant differences between the groups. The lengths of the forelimbs and hind limbs were larger in the male cats. There was a significant moderate positive correlation between the stride length and the length of the limbs. Conclusions In conclusion, the only difference observed between male and female cats was the stride length, and this was due to the greater body size of male cats. This difference did not affect other temporospatial or kinetics variables

  3. Study of kinetic parameters of K 2Ca 2(SO 4)3 thermoluminescence dosimeter

    NASA Astrophysics Data System (ADS)

    Choubey, A.; Das, S.; Sharma, S. K.; Manam, J.

    The dosimetry study of thermoluminescence materials is based on a good knowledge of its kinetics para-meters. A polycrystalline sample of K 2Ca 2(SO 4)3 was prepared by the solid-state diffusion method. Formation of the compound was checked by using X-ray diffraction and Fourier-transform infrared spectroscopy. Thermally stimulated luminescence (TSL) glow curves of X-ray-irradiated K 2Ca 2(SO 4)3 phosphor exhibit one glow peak at 195 °C and a shoulder at around 120 °C, indicating that two different sets of traps are being activated within the particular temperature range, each with its own value of activation energy (E) and frequency factor (s). The kinetic parameters associated with the prominent glow peak of K 2Ca 2(SO 4)3 were calculated using the isothermal luminescence decay method. The electron spin resonance study of the prepared compound exhibits the presence of ./GRAD_A_438565_O_XML_IMAGES/GRAD_A_438565_O_ILM0001.gif and ./GRAD_A_438565_O_XML_IMAGES/GRAD_A_438565_O_ILM0002.gif radical ions that are responsible for the observed TSL glow peaks. The release of hole/electron from trap centres at the characteristic trap site initiates the luminescence process in these materials.

  4. Experimental and kinetic study for lead removal via photosynthetic consortia using genetic algorithms to parameter estimation.

    PubMed

    Hernández-Melchor, Dulce Jazmín; López-Pérez, Pablo A; Carrillo-Vargas, Sergio; Alberto-Murrieta, Alvaro; González-Gómez, Evanibaldo; Camacho-Pérez, Beni

    2017-09-06

    This work presents an experimental-theoretical strategy for a batch process for lead removal by photosynthetic consortium, conformed by algae and bacteria. Photosynthetic consortium, isolated from a treatment plant wastewater of Tecamac (Mexico), was used as inoculum in bubble column photobioreactors. The consortium was used to evaluate the kinetics of lead removal at different initial concentrations of metal (15, 30, 40, 50, and 60 mgL(-1)), carried out in batch culture with a hydraulic residence time of 14 days using Bold's Basal mineral medium. The photobioreactor was operated under the following conditions: aeration of 0.5 vvm, 80 μmol m(-2) s(-1) of photon flux density and a photoperiod light/dark 12:12. After determining the best growth kinetics of biomass and metal removal, they were tested under different ratios (30 and 60%) of wastewater-culture medium. Additionally, the biomass growth (X), nitrogen consumption (N), chemical oxygen demand (COD), and metal removal (Pb) were quantified. Achieved lead removal was 97.4% when the initial lead concentration was up to 50 mgL(-1) using 60% of wastewater. Additionally, an unstructured-type mathematical model was developed to simulate COD, X, N, and lead removal. Furthermore, a comparison between the Levenberg-Marquardt (L-M) optimization approach and Genetic Algorithms (GA) was carried out for parameter estimation. Also, it was concluded that GA has a slightly better performance and possesses better convergence and computational time than L-M. Hence, the proposed method might be applied for parameter estimation of biological models and be used for the monitoring and control process.

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

    PubMed

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

    2015-03-10

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

  6. Evaluation of the interindividual human variation in bioactivation of methyleugenol using physiologically based kinetic modeling and Monte Carlo simulations.

    PubMed

    Al-Subeihi, Ala A A; Alhusainy, Wasma; Kiwamoto, Reiko; Spenkelink, Bert; van Bladeren, Peter J; Rietjens, Ivonne M C M; Punt, Ans

    2015-03-01

    The present study aims at predicting the level of formation of the ultimate carcinogenic metabolite of methyleugenol, 1'-sulfooxymethyleugenol, in the human population by taking variability in key bioactivation and detoxification reactions into account using Monte Carlo simulations. Depending on the metabolic route, variation was simulated based on kinetic constants obtained from incubations with a range of individual human liver fractions or by combining kinetic constants obtained for specific isoenzymes with literature reported human variation in the activity of these enzymes. The results of the study indicate that formation of 1'-sulfooxymethyleugenol is predominantly affected by variation in i) P450 1A2-catalyzed bioactivation of methyleugenol to 1'-hydroxymethyleugenol, ii) P450 2B6-catalyzed epoxidation of methyleugenol, iii) the apparent kinetic constants for oxidation of 1'-hydroxymethyleugenol, and iv) the apparent kinetic constants for sulfation of 1'-hydroxymethyleugenol. Based on the Monte Carlo simulations a so-called chemical-specific adjustment factor (CSAF) for intraspecies variation could be derived by dividing different percentiles by the 50th percentile of the predicted population distribution for 1'-sulfooxymethyleugenol formation. The obtained CSAF value at the 90th percentile was 3.2, indicating that the default uncertainty factor of 3.16 for human variability in kinetics may adequately cover the variation within 90% of the population. Covering 99% of the population requires a larger uncertainty factor of 6.4. In conclusion, the results showed that adequate predictions on interindividual human variation can be made with Monte Carlo-based PBK modeling. For methyleugenol this variation was observed to be in line with the default variation generally assumed in risk assessment.

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

    PubMed Central

    Tosun, İsmail

    2012-01-01

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

  8. 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.

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

    SciTech Connect

    Ballester, J.; Jimenez, S.

    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.

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

    NASA Technical Reports Server (NTRS)

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

    1996-01-01

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

  11. Phase transitions in a two-parameter model of opinion dynamics with random kinetic exchanges.

    PubMed

    Sen, Parongama

    2011-01-01

    Recently, a model of opinion formation with kinetic exchanges has been proposed in which a spontaneous symmetry-breaking transition was reported [M. Lallouache, A. S. Chakrabarti, A. Chakraborti, and B. K. Chakrabarti, Phys. Rev. E 82, 056112 (2010)]. We generalize the model to incorporate two parameters: λ, to represent conviction, and μ, to represent the influencing ability of individuals. A phase boundary given by λ=1-μ/2 is obtained separating the symmetric and symmetry broken phases: The effect of the influencing term enhances the possibility of reaching a consensus in the society. The time scale diverges near the phase boundary in a power-law manner. The order parameter and the condensate also show power-law growth close to the phase boundary albeit with different exponents. The exponents in general change along the phase boundary, indicating a nonuniversality. The relaxation times, however, become constant with increasing system size near the phase boundary, indicating the absence of any diverging length scale. Consistently, the fluctuations remain finite but show strong dependence on the trajectory along which it is estimated.

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

    PubMed

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

    2015-06-02

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

  13. Functional imaging of kinetic parameters from the time dependent linear response function by dynamic scintigraphy

    SciTech Connect

    Stritzke, P.; Knop, J.; Spielmann, R.P.; Montz, R.; Schneider, C.

    1984-01-01

    A new method is proposed to determine the locally differing time dependent linear response function h(r,t) of a radioactive tracer injected into a patients blood pool B(t) by mathematical analysis of a dynamic scintigraphic study A(r,t). Transit times, uptake rates and clearance rates of different tracers are calculated from the linear response function at every matrix point by one computer program. The parameters are presented in functional images on a standard computer display. Thus the whole information from a dynamic study can be condensed within a few images. The integral equation A=h+B +c(r)*B (+ means convolution, c(r)*B(t)=nontarget activity) derived from tracer theory is deconvoluted by mathematical methods, which are unsensitive against noise contamination of the input data. The numerical technique is successfully applied in Iodide-123-Hippuran and Tc-99m-DMSA kidney studies, in Tc-99m-MDP and -DPD bone studies, in Tl-201 myocardial studies and in Iodide-123 thyroid studies. Because the regional blood pool-or nontarget activity is calculated and subtracted, the kinetic parameters are considered to be free from nontarget contributions in all dynamic scintigraphic studies. Examples are demonstrated and the usefulness for clinical application is discussed.

  14. Electron transport parameters in CO2: scanning drift tube measurements and kinetic computations

    NASA Astrophysics Data System (ADS)

    Vass, M.; Korolov, I.; Loffhagen, D.; Pinhão, N.; Donkó, Z.

    2017-06-01

    This work presents the transport coefficients of electrons (bulk drift velocity, longitudinal diffusion coefficient, and effective ionization frequency) in CO2 measured under time-of-flight conditions over a wide range of the reduced electric field, 15 {Td}≤slant E/N≤slant 2660 {Td}, in a scanning drift tube apparatus. The data obtained in the experiments are also applied to determine the effective steady-state Townsend ionization coefficient. These parameters are compared to the results of previous experimental studies, as well as to the results of various kinetic computations: solutions of the electron Boltzmann equation under different approximations (multiterm and density gradient expansions) and Monte Carlo simulations. The experimental data extend the range of E/N compared with previous measurements and are consistent with most of the transport parameters obtained in these earlier studies. The computational results point out the range of applicability of the respective approaches to determine the different measured transport properties of electrons in CO2. They also demonstrate the need for further improvement of the electron collision cross section data for CO2 taking into account the present experimental data.

  15. Generalized variational calculus in terms of multi-parameters fractional derivatives

    NASA Astrophysics Data System (ADS)

    Agrawal, Om P.; Muslih, Sami I.; Baleanu, Dumitru

    2011-12-01

    In this paper, we briefly introduce two generalizations of work presented a few years ago on fractional variational formulations. In the first generalization, we consider the Hilfer's generalized fractional derivative that in some sense interpolates between Riemann-Liouville and Caputo fractional derivatives. In the second generalization, we develop a fractional variational formulation in terms of a three parameter fractional derivative. We develop integration by parts formulas for the generalized fractional derivatives which are key to developing fractional variational calculus. It is shown that many derivatives used recently and their variational formulations can be obtained by setting different parameters to different values. We also define fractional generalized momenta and provide fractional Hamiltonian formulations in terms of the new generalized derivatives. An example is presented to show applications of the formulations presented here. Some possible extensions of this research are also discussed.

  16. Modeling photo-bleaching kinetics to map local variations in rod rhodopsin density

    NASA Astrophysics Data System (ADS)

    Ehler, M.; Dobrosotskaya, J.; King, E. J.; Czaja, W.; Bonner, R. F.

    2011-03-01

    Localized rod photoreceptor and rhodopsin losses have been observed in post mortem histology both in normal aging and in age-related maculopathy. We propose to noninvasively map local rod rhodopsin density through analysis of the brightening of the underlying lipofuscin autofluorescence (LAF) in confocal scanning laser ophthalmoscopy (cSLO) imaging sequences starting in the dark adapted eye. The detected LAF increases as rhodopsin is bleached (time constant ~ 25sec) by the average retinal irradiance of the cSLO 488nm laser beam. We fit parameters of analytical expressions for the kinetics of rhodopsin bleaching that Lamb validated using electroretinogram recordings in human. By performing localized (~ 100μm) kinetic analysis, we create high resolution maps of the rhodopsin density. This new noninvasive imaging and analysis approach appears well-suited for measuring localized changes in the rod photoreceptors and correlating them at high spatial resolution with localized pathological changes of the retinal pigment epithelium (RPE) seen in steady-state LAF images.

  17. Variability of kinetic parameters due to biomass acclimation: case of para-nitrophenol biodegradation.

    PubMed

    Rezouga, Fériel; Hamdi, Moktar; Sperandio, Mathieu

    2009-11-01

    The study regards para-nitrophenol (p-NP) removal by a mixed culture in a batch reactor under aerobic conditions performed at low ratio substrate (p-NP) to p-NP degrading microorganisms (0.09 < I(0)/(X(B,PNP))(0) < 0.80 g COD(PNP)g VSS(-1)). p-NP biodegradation was modelled with a dual-biomass kinetic including Haldane formalism. The purpose was to examine the effect of operating conditions of acclimation phases in the kinetic parameters estimated by respirometric measurements. The experiments were conducted with a series of successive additions of p-NP and a biogenic substrate (Ss) in different proportions (0 < R = Ss/I < 6.6). To place emphasis on decisive role played by frequency and amount of p-NP supply, a parallel was drawn with continuous processes, characterising acclimation cycles by different organic loading rate (207 < OLR < 1490 mg COD(PNP) l(-1) d(-1)). During acclimation, results showed progressively decreasing half saturation constant (K(s)(PNP)) values (11.4-1.21 mg CODl(-1)) whereas inhibition coefficient K(I)(PNP) increased (72.4-289 mg CODl(-1)), as the specific degradation rate increased. The inverse behaviour was observed during starvation periods. At the end of acclimation, higher values of growth yield (0.39 < Y(PNP) < 0.63 mg COD(X) mg COD(PNP)(-1)) and maximum growth rate (1.09 < mu(max)(PNP) < 2.01 d(-1)) were obtained for cycles with low R.

  18. Does Vibration Warm-up Enhance Kinetic and Temporal Sprint Parameters?

    PubMed

    Cochrane, D J; Cronin, M J; Fink, P W

    2015-08-01

    The aim of this study was to investigate the efficacy of vibration warm-up to enhance sprint performance. 12 males involved in representative team sports performed 4 warm-up conditions in a randomised order performed at least 24 h apart; VbX warm-up (VbX-WU); Neural activation warm-up (Neu-WU); Dynamic warm-up (Dyn-WU) and Control (No VbX). Participants completed 5 m sprint at 30 s, 2:30 min and 5 min post warm-up where sprint time, kinetics, and temporal components were recorded. There was no significant (p>0.05) main effect or interaction effect between the split sprint times of 1 m, 2.5 m, and 5 m. There was a condition effect where vertical mean force was significantly higher (p<0.05) in Dyn-WU and Control compared to Neu-WU. No other significant (p>0.05) main and interaction effects in sprint kinetic and temporal parameters existed. Overall, all 4 warm-up conditions produced comparable results for sprint performance, and there was no detrimental effect on short-duration sprint performance using VbX-WU. Therefore, VbX could be useful for adding variety to the training warm-up or be included into the main warm-up routine as a supplementary modality. © Georg Thieme Verlag KG Stuttgart · New York.

  19. Kinetic parameters, bleaching and radiation response of thermoluminescence glow peaks separated by deconvolution on Korean calcite

    NASA Astrophysics Data System (ADS)

    Kim, Ki-Bum; Hong, Duk-Geun

    2014-10-01

    Calcite has been of particular interest in studies of thermoluminescence (TL) because of its geological and archeological importance. Although extensive research on the TL glow curves of calcite has been conducted, most previous works have been based on the TL intensity integrated over a particular temperature range on the glow curve, without any separation of peaks. In this paper, the physical characteristics of the overlapping peaks in the TL glow curves of a calcite sample are investigated. These properties can provide useful information for determining the radiation dose absorbed to the sample in radiation dosimetry and luminescence dating research. The Tm-Tstop method is employed to identify the number of hidden glow peaks, and the kinetic parameters of each separated glow peak, including the thermal activation energy, kinetic order, and frequency factor, are evaluated using a computerized glow curve deconvolution (CGCD) method. The Tm-Tstop method indicates that the glow curve of calcite is the superposition of at least four components (P1 - P4) in the temperature range between room temperature and 450 °C. A bleaching experiment for two separated glow peaks (P3 and P4) using a solar simulator revealed that the bleaching rates of peak P3 show two exponential decays, and after bleaching, the TL intensity of peak P3 is reduced to approximately 4% of the initial value. In contrast, peak P4 is bleached exponentially to approximately 30% of the initial TL intensity and thereafter shows no detectable change in intensity. In addition, in a study of the radiation dose response of the two peaks, both peaks have a similar pattern, exhibiting a linear increment up to the maximum dose investigated, 520 Gy.

  20. Direct estimation of tracer-kinetic parameter maps from highly undersampled brain dynamic contrast enhanced MRI.

    PubMed

    Guo, Yi; Lingala, Sajan Goud; Zhu, Yinghua; Lebel, R Marc; Nayak, Krishna S

    2017-10-01

    The purpose of this work was to develop and evaluate a T1 -weighted dynamic contrast enhanced (DCE) MRI methodology where tracer-kinetic (TK) parameter maps are directly estimated from undersampled (k,t)-space data. The proposed reconstruction involves solving a nonlinear least squares optimization problem that includes explicit use of a full forward model to convert parameter maps to (k,t)-space, utilizing the Patlak TK model. The proposed scheme is compared against an indirect method that creates intermediate images by parallel imaging and compressed sensing before to TK modeling. Thirteen fully sampled brain tumor DCE-MRI scans with 5-second temporal resolution are retrospectively undersampled at rates R = 20, 40, 60, 80, and 100 for each dynamic frame. TK maps are quantitatively compared based on root mean-squared-error (rMSE) and Bland-Altman analysis. The approach is also applied to four prospectively R = 30 undersampled whole-brain DCE-MRI data sets. In the retrospective study, the proposed method performed statistically better than indirect method at R ≥ 80 for all 13 cases. This approach provided restoration of TK parameter values with less errors in tumor regions of interest, an improvement compared to a state-of-the-art indirect method. Applied prospectively, the proposed method provided whole-brain, high-resolution TK maps with good image quality. Model-based direct estimation of TK maps from k,t-space DCE-MRI data is feasible and is compatible up to 100-fold undersampling. Magn Reson Med 78:1566-1578, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

  1. Sensitivity of tire response to variations in material and geometric parameters

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K.; Tanner, John A.; Peters, Jeanne M.

    1992-01-01

    A computational procedure is presented for evaluating the analytic sensitivity derivatives of the tire response with respect to material and geometric parameters of the tire. The tire is modeled by using a two-dimensional laminated anisotropic shell theory with the effects of variation in material and geometric parameters included. The computational procedure is applied to the case of uniform inflation pressure on the Space Shuttle nose-gear tire when subjected to uniform inflation pressure. Numerical results are presented showing the sensitivity of the different response quantities to variations in the material characteristics of both the cord and the rubber.

  2. Decadal variations of the South Tropical Countercurrent and Eddy Kinetic Energy in the South Pacific

    NASA Astrophysics Data System (ADS)

    Rieck, Jan Klaus; Böning, Claus W.; Greatbatch, Richard J.

    2017-04-01

    A series of eddying global ocean-sea ice models is used to assess the low-frequency variability of Eddy Kinetic Energy in the world ocean. The models with horizontal resolutions ranging from 1/4°-1/12° are driven by the atmospheric CORE.v2 forcing for a period of 1958-2009. A region located between 25°-33°S and 153°-175°W stands out globally, having a high variance of EKE, relative to the mean EKE, at decadal timescales. This region is characterized by the shallow, eastward South Tropical Countercurrent (STCC). The STCC, restricted to the upper 200m, forms a vertically sheared current system with the westward South Equatorial Current (SEC) below. While there are only minor changes to the SEC on decadal timescales, velocities of the STCC vary with a magnitude of >50% of the mean. The induced variations in vertical shear (du/dz) are at a maximum during the 1970s, followed by a minimum from the mid 1980s to mid 1990s and a subsequent increase. Decadal EKE changes are driven by these variations in du/dz and an associated strengthening of the reversal of the meridional gradient of potential vorticity with depth. Increased du/dz between the STCC and SEC is related, through the thermal wind balance, to sub-surface temperature anomalies, with a maximum >1°C at 300m depth. Sensitivity studies reveal this decadal variations to be driven by changes in the wind stress τ. A combination of local and remote anomalies of curl(τ) drives sub-surface temperature changes that either emerge locally or propagate in to the STCC region from the east and south. These temperature anomalies steepen (flatten) the isopycnals and increase (decrease) du/dz.

  3. Computer controlled automated assay for comprehensive studies of enzyme kinetic parameters.

    PubMed

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

    2010-05-19

    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

  4. Simulation of the interannual variations of tropospheric ozone over China: Roles of variations in meteorological parameters and anthropogenic emissions

    NASA Astrophysics Data System (ADS)

    Lou, Sijia; Liao, Hong; Yang, Yang; Mu, Qing

    2015-12-01

    We quantify the interannual variations (IAVs) of tropospheric O3 over China for the years 2004-2012 by using the one-way nested-grid version of the global three-dimensional Goddard Earth Observing System chemical transport model (GEOS-Chem). The roles of variations in meteorological fields and anthropogenic emissions of O3 precursors are examined separately and together through sensitivity simulations. With variations in both meteorological parameters and emissions, simulated seasonal mean surface-layer O3 concentrations over North China (NC, 110-120°E, 32-42°N) exhibit the largest IAVs in June-July-August (JJA). The regionally averaged absolute percent departure from the mean (APDM) values over NC are 0.7%, 3.2%, 3.9%, and 2.1% in December-January-February (DJF), March-April-May (MAM), and September-October-November (SON), respectively. Over South China (SC, 110-120°E, 22-32°N), the IAVs of O3 are found maximum in MAM, and minimum in JJA; the APDM values are 2.7%, 3.7%, 1.4%, and 2.6% in DJF, MAM, JJA, and SON, respectively. With respect to the IAVs of O3 over the Sichuan Basin (SCB, 102-110°E, 27-33°N), the APDM values are simulated to be 2.7-3.8% throughout the year. The IAVs in surface-layer O3 by variations in meteorological fields are simulated to be larger than those by variations in anthropogenic emissions throughout the year in NC and SC except for JJA in SC. The relatively more important role of variations in anthropogenic emissions is simulated in SCB in all seasons. Process analyses are performed to identify key meteorological parameters that influence the IAVs of O3 over NC, SC, and SCB. Over all of these regions, variations in winds are found to have the largest impact on the IAVs of O3, followed by those in temperature and specific humidity. Considering that the APDM values represent the IAVs averaged over 2004-2012, the magnitudes of IAVs of O3 for specific years can be more significant than the numbers reported here. Our results have

  5. The Stochastic Quasi-chemical Model for Bacterial Growth: Variational Bayesian Parameter Update

    NASA Astrophysics Data System (ADS)

    Tsilifis, Panagiotis; Browning, William J.; Wood, Thomas E.; Newton, Paul K.; Ghanem, Roger G.

    2017-08-01

    We develop Bayesian methodologies for constructing and estimating a stochastic quasi-chemical model (QCM) for bacterial growth. The deterministic QCM, described as a nonlinear system of ODEs, is treated as a dynamical system with random parameters, and a variational approach is used to approximate their probability distributions and explore the propagation of uncertainty through the model. The approach consists of approximating the parameters' posterior distribution by a probability measure chosen from a parametric family, through minimization of their Kullback-Leibler divergence.

  6. 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

  7. Evaluation of the interindividual human variation in bioactivation of methyleugenol using physiologically based kinetic modeling and Monte Carlo simulations

    SciTech Connect

    Al-Subeihi, Ala' A.A.; Alhusainy, Wasma; Kiwamoto, Reiko; Spenkelink, Bert; Bladeren, Peter J. van; Rietjens, Ivonne M.C.M.; Punt, Ans

    2015-03-01

    The present study aims at predicting the level of formation of the ultimate carcinogenic metabolite of methyleugenol, 1′-sulfooxymethyleugenol, in the human population by taking variability in key bioactivation and detoxification reactions into account using Monte Carlo simulations. Depending on the metabolic route, variation was simulated based on kinetic constants obtained from incubations with a range of individual human liver fractions or by combining kinetic constants obtained for specific isoenzymes with literature reported human variation in the activity of these enzymes. The results of the study indicate that formation of 1′-sulfooxymethyleugenol is predominantly affected by variation in i) P450 1A2-catalyzed bioactivation of methyleugenol to 1′-hydroxymethyleugenol, ii) P450 2B6-catalyzed epoxidation of methyleugenol, iii) the apparent kinetic constants for oxidation of 1′-hydroxymethyleugenol, and iv) the apparent kinetic constants for sulfation of 1′-hydroxymethyleugenol. Based on the Monte Carlo simulations a so-called chemical-specific adjustment factor (CSAF) for intraspecies variation could be derived by dividing different percentiles by the 50th percentile of the predicted population distribution for 1′-sulfooxymethyleugenol formation. The obtained CSAF value at the 90th percentile was 3.2, indicating that the default uncertainty factor of 3.16 for human variability in kinetics may adequately cover the variation within 90% of the population. Covering 99% of the population requires a larger uncertainty factor of 6.4. In conclusion, the results showed that adequate predictions on interindividual human variation can be made with Monte Carlo-based PBK modeling. For methyleugenol this variation was observed to be in line with the default variation generally assumed in risk assessment. - Highlights: • Interindividual human differences in methyleugenol bioactivation were simulated. • This was done using in vitro incubations, PBK modeling

  8. A Study of Variations in Atmospheric Turbulence Kinetic Energy on a Sandy Beach

    NASA Astrophysics Data System (ADS)

    Koscinski, J. S.; MacMahan, J. H.; Wang, Q.; Thornton, E. B.

    2016-12-01

    A 6-m high, meteorological tower consisting six evenly spaced ultrasonic anemometers and temperature-relative humidity sensors was deployed at the high tide line on sandy, wave-dissipative, meso-tidal beach in southern Monterey Bay, CA in October 2015. The micro-meteorology study focus is to explore the momentum fluxes and turbulent kinetic energy influenced by the interaction between an intensive wave-breaking surf zone and a sandy beach associated with onshore & cross-shore winds, diurnal heating, and differences in ocean-air temperatures. The tower was deployed for approximately 1-month and experienced diurnal wind variations and synoptic storm events with winds measuring up to 10 m/s and an air temperature range of 5-28 oC. This beach environment was found to be primarily unstable in thermal stratification indicating that the air temperature is colder than underlying surface, either the ocean or the sandy beach. The drag coefficient was found to be dependent upon the atmospheric stability. Direct-estimates of atmospheric stability were obtained with the sonic anemometer. The direct estimates are a ratio of w*/u*, where the w*, vertically scaled buoyancy velocity, is greater than u*, horizontally scaled friction velocity. Hypotheses for the enhanced buoyancy are 1) diurnal heating of the sandy beach, 2) warmer ocean temperatures relative to air temperatures, and 3) the wave breaking within the surf zone. Further exploration into these hypotheses is conducted by using vertical tower sensor pairs for estimating the temporal variability of the mechanical shear production and buoyancy production terms in turbulent kinetic energy budget. These results are part of the Coastal Land Air Sea Interaction (CLASI) experiment.

  9. Predicting heavy metals' adsorption edges and adsorption isotherms on MnO2 with the parameters determined from Langmuir kinetics.

    PubMed

    Hu, Qinghai; Xiao, Zhongjin; Xiong, Xinmei; Zhou, Gongming; Guan, Xiaohong

    2015-01-01

    Although surface complexation models have been widely used to describe the adsorption of heavy metals, few studies have verified the feasibility of modeling the adsorption kinetics, edge, and isotherm data with one pH-independent parameter. A close inspection of the derivation process of Langmuir isotherm revealed that the equilibrium constant derived from the Langmuir kinetic model, KS-kinetic, is theoretically equivalent to the adsorption constant in Langmuir isotherm, KS-Langmuir. The modified Langmuir kinetic model (MLK model) and modified Langmuir isotherm model (MLI model) incorporating pH factor were developed. The MLK model was employed to simulate the adsorption kinetics of Cu(II), Co(II), Cd(II), Zn(II) and Ni(II) on MnO2 at pH3.2 or 3.3 to get the values of KS-kinetic. The adsorption edges of heavy metals could be modeled with the modified metal partitioning model (MMP model), and the values of KS-Langmuir were obtained. The values of KS-kinetic and KS-Langmuir are very close to each other, validating that the constants obtained by these two methods are basically the same. The MMP model with KS-kinetic constants could predict the adsorption edges of heavy metals on MnO2 very well at different adsorbent/adsorbate concentrations. Moreover, the adsorption isotherms of heavy metals on MnO2 at various pH levels could be predicted reasonably well by the MLI model with the KS-kinetic constants.

  10. The effect of crystal size variation on the rate of dissolution - A kinetic Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Briese, Laura; Arvidson, Rolf S.; Luttge, Andreas

    2017-09-01

    Crystal size is an important parameter for many geochemical processes, and is often observed to have a significant influence on crystal dissolution rate. Although size versus solubility relationships are often cast in thermodynamic terms (the critical radius), the mechanistic basis for size versus dissolution rate is not understood in any detail. Here we examine the influence of size on dissolution rate and the mechanistic origin of this relationship isolated from other parameters. We use a kinetic Monte Carlo model approach to observe atomistic changes in the dissolution of four simple cubic crystals (edge dimension d = 25, 64, 125, 187 unit cells). These simulations maintain constant solution boundary conditions representing an under-saturated, far-from-equilibrium state. We observe that surface area-normalized dissolution rates increase non-linearly with decreasing initial crystal size. This relationship can be understood mechanistically, in part as a coupling of kink- and step atom-site formation. Under conditions where these two constraints are in rough balance, the overall dissolution rate is maximized and mass removal is most efficient. This relationship reflects the mutual dependence of the formation of kink and step atoms, whose high detachment frequencies exert the dominant control over the dissolution process.

  11. Lysine ε-aminotransferases: kinetic constants, substrate specificities, and the variation in active site residues.

    PubMed

    Seo, Joo-Hyun; Kim, Eun-Mi; Chae, Ahram; Kim, Byung-Gee

    2016-03-01

    L-Lysine ε-aminotransferase (lysAT) is an important enzyme in tailoring the terminal amino group of L-lysine or L-ornithine and can be directed to the synthesis of various value-added chemicals such as adipic acid. Three lysATs, lysAT from Saccharopolyspora erythraea NRRL 2338 (lysAT_Sery), lysAT from Nocardia farcinica IFM 10152, and lysAT from Rhodococcus jostii RHA1, were cloned, and their kinetic values and substrate specificities were investigated. In the reaction using 5mM L-lysine and 10mM α-ketoglutarate, lysAT_Sery from S. erythraea NRRL 2338 showed 72% higher specific activity than lysAT from Nocardia farcinica IFM 10152 and 42% higher specific activity than lysAT from R. jostii RHA1. More interesting result was that lysAT Sery, exhibiting the highest activity among three lysATs, did not show any activity to L-ornithine. The alignment of 146 lysAT sequences from RefSeq database was searched by the EC number of lysAT to compare the active site residues among the lysAT sequences. The sequence alignment showed that only two residues, corresponding to Ala129 and Asn328 of lysAT from Mycobacterium tuberculosis H37Rv (lysAT_Mtub), showed variations among the active site residues. All the active site residues except those two residues were completely conserved throughout 145 lysAT sequences. lysAT from S. erythraea NRRL 2338 has A129T and N328S variations (residue numbers are those of the crystal structure of lysAT_Mtub). The structural analysis by the homology model indicate that Thr126 by A129T variation in lysAT_Sery is appeared to interact more tightly with the phosphate group of PLP than alanine (the distance between Thr126 and the phosphate group of PLP was 2.92Å). In addition, Ser328 is located at the substrate recognition site of active site and, therefore, N328S variation may be connected to the substrate specificity of lysAT. Copyright © 2015. Published by Elsevier Inc.

  12. Re-examination of safety parameters using kinetic theory of nano-granular flows

    NASA Astrophysics Data System (ADS)

    Bouillard, Jacques Xavier; Marchal, Philippe; Henry, François; Vignes, Alexis; Dufaud, Olivier; Perrin, Laurent; Plasari, Edouard

    2011-07-01

    The origin of the kinetic theory of granular flow was originally credited to Bagnold [1]. By using a very primitive expression of the particle collision frequency, he derived an expression for the repulsive pressure of the particles in uniform shear flows. His repulsive pressure was proportional to the square of the velocity gradient and the particle diameter and directly proportional to the particle density. This theory was later extended by Savage [2] and Gidaspow [3]. Such theories provide insight on the dependence of the viscosity, and various moduli (elastic, non elastic, viscous...) in terms of the granular temperature and the associated shear-rates. Until recently, such parameters were difficult to measure because of the lack of specifically designed equipment. This challenge was successfully taken up and resolved by P. Marchal of ENSIC who designed a new rheometer for powders (figure 1). This equipment can put in evidence the importance of the granular temperature on the elastic and viscous behaviors of the granular flows. Such rheological behavior is important in risk analysis for nanopowders, because as the nanopowder may be subjected to process shear rates and stresses, its structural and topological changes, in terms of the transformation of agglomerates into primary nanoparticles, have strong impacts on emission factors of nanosized particles that can be released in the environment or into a workplace from such dense-phase nanopowder processes. Such transformation can be analyzed by studying the nano-granular rheological signature of the system. Such risk assessment approach using these new fundamental rheological safety parameters is described in this paper.

  13. Study of variation in human upper body parameters and motion for use in robotics based simulation.

    PubMed

    Lura, Derek J; Carey, Stephanie L; Dubey, Rajiv V

    2013-01-01

    This paper reviews the variations in human upper body motion of subjects completing activities of daily living. This study was completed to serve as a reference to evaluate the quality of simulated of human motion. In this paper we define the variation in motion as the variation in subjects' parameters (link lengths), joint angles, and hand positions, for a given task. All of these variations are related by forward kinematic equations. Motion data from eight healthy right hand dominant adults performing three activities of daily living (brushing hair, drinking from a cup, and opening a door) were collected using an eight camera Vicon motion analysis system. Subject parameters were calculated using relative positions of functional joint center locations between segments. Joint angles were calculated by Euler angle rotations between body segments. Hand position was defined as the origin of the hand frame relative to the pelvis frame. The variance of recorded human motion was analyzed based on the standard deviations of subject parameters, joint angles, and hand positions. Variances in joint angles were found to be similar in magnitude to root mean squared error of kinematics based motion simulation. To evaluate the relative variance, the forward kinematic solutions of the trials were found after removing subject parameter variance and reducing joint angle variance. The variance in the forward kinematic solution was then compared to the recorded hand position variance. Reductions in subject parameter and joint angle variance produced a proportionally much smaller reduction in the calculated hand position variance. Using the average instead of individual subject parameters had only a small impact on hand position variance. Modifying joint angles to reduce variance had a greater impact on the calculated hand position variance than using average subject parameters, but was still a relatively small change. Future work will focus on using these results to create formalized

  14. Diurnal variation of oxygen and carbonate system parameters in Tampa Bay and Florida Bay

    USGS Publications Warehouse

    Yates, K.K.; Dufore, C.; Smiley, N.; Jackson, C.; Halley, R.B.

    2007-01-01

    Oxygen and carbonate system parameters were measured, in situ, over diurnal cycles in Tampa Bay and Florida Bay, Florida. All system parameters showed distinct diurnal trends in Tampa Bay with an average range of diurnal variation of 39.1 μmol kg− 1 for total alkalinity, 165.1 μmol kg− 1 for total CO2, 0.22 for pH, 0.093 mmol L− 1 for dissolved oxygen, and 218.1 μatm for pCO2. Average range of diurnal variation for system parameters in Tampa Bay was 73% to 93% of the seasonal range of variability for dissolved oxygen and pH. All system parameters measured in Florida Bay showed distinct variation over diurnal time-scales. However, clear diurnal trends were less evident. The average range of diurnal variability in Florida Bay was 62.8 μmol kg− 1 for total alkalinity, 130.4 μmol kg− 1 for total CO2, 0.13 for pH, 0.053 mmol L− 1 for dissolved oxygen, and 139.8 μatm for pCO2. The average range of diurnal variation was 14% to 102% of the seasonal ranges for these parameters. Diurnal variability in system parameters was most influenced by primary productivity and respiration of benthic communities in Tampa Bay, and by precipitation and dissolution of calcium carbonate in Florida Bay. Our data indicate that use of seasonal data sets without careful consideration of diurnal variability may impart significant error in calculations of annual carbon and oxygen budgets. These observations reinforce the need for higher temporal resolution measurements of oxygen and carbon system parameters in coastal ecosystems.

  15. Effects of heating rate on slow pyrolysis behavior, kinetic parameters and products properties of moso bamboo.

    PubMed

    Chen, Dengyu; Zhou, Jianbin; Zhang, Qisheng

    2014-10-01

    Effects of heating rate on slow pyrolysis behaviors, kinetic parameters, and products properties of moso bamboo were investigated in this study. Pyrolysis experiments were performed up to 700 °C at heating rates of 5, 10, 20, and 30 °C/min using thermogravimetric analysis (TGA) and a lab-scale fixed bed pyrolysis reactor. The results show that the onset and offset temperatures of the main devolatilization stage of thermogravimetry/derivative thermogravimetry (TG/DTG) curves obviously shift toward the high-temperature range, and the activation energy values increase with increasing heating rate. The heating rate has different effects on the pyrolysis products properties, including biochar (element content, proximate analysis, specific surface area, heating value), bio-oil (water content, chemical composition), and non-condensable gas. The solid yields from the fixed bed pyrolysis reactor are noticeably different from those of TGA mainly because the thermal hysteresis of the sample in the fixed bed pyrolysis reactor is more thorough.

  16. [The pH dependence of kinetic parameters of Penicillium brevicompactum RNAase].

    PubMed

    Krupianko, V I

    1976-04-01

    The effect of pH on the kinetic parameters (Km and Ki) for extracellular acid Penicillium brevicompactum RNAse (pH max 4.7+/-0.1), non-specific to the chemical nature of nucleic bases, was studied. The pKm--pH dependence curve showed bends within the following intervals of pH: 3.5--4.0 and 5.6--6.0 (upward side concavity) and 6.2--6.8 (downward side concavity). The pKi--pH dependence for adenosine-3'-monophosphate as an inhibitor is identical to the pH dependence on pKm for the substrate. On the other hand, the pKi--pH dependence curves obtained for the base-free inhibitors (ribose-5'-monophosphate, or phosphate (adenosine) show no bends within the pH intervals of 3.0--4.0 and 5.6--7.0 respectively. A possibility is discussed of the presence of a carboxylic (pK 3.58+/-0.1) and two imidazole groups (pK 6.42+/-0.1--a weakly protonated and 5.8+/-+/-0.1--a strongly protonated group) in the RNAse active site and their participation in the formation of the RNAse-nucleotide (RNAse-substrate) complex.

  17. Purification of lactoperoxidase from bovine whey and investigation of kinetic parameters

    PubMed Central

    Borzouee, Fatemeh; Mofid, Mohammad Reza; Varshosaz, Jaleh; Samsam Shariat, Seyed Ziyae Aldin

    2016-01-01

    Background: Lactoperoxidase (LPO) is related to mammalian peroxidase family which contains a wide spectrum of biological activities. Despite the wide studies on the LPO, there is little study has been performed to simplify and shorten the procedure of enzyme purification. The aim of this project was to purify the enzyme through a simple method, and investigating enzyme kinetic parameters. Materials and Methods: LPO was purified from bovine whey through modified method of Yoshida (1990) using two steps of ammonium sulfate precipitation and ion-exchange chromatography. The purity of isolated enzyme was monitored by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE). Results: The enzyme was purified 59.13-fold with a recovery of 10.26 having a specific activity of 5.78 U/mg protein and an Rz value of 0.8. The enzyme activity was measured using guaiacol as a chromogenic substrate in phosphate buffer pH 6. SDS-PAGE showed a single bond with molecular weight of 78 kDa. The purified enzyme displayed optimum activity at pH 6 in 30 mM phosphate buffer and at a temperature of 50°C, with a Km value of 178 mM and Vmax 0.63 U/ml.min for guaiacol. Conclusion: Using only one step ion-exchange chromatography, LPO was isolated from bovine whey in high purity. PMID:28028529

  18. Methane oxidation in a landfill cover soil reactor: Changing of kinetic parameters and microorganism community structure.

    PubMed

    Xing, Zhi L; Zhao, Tian T; Gao, Yan H; Yang, Xu; Liu, Shuai; Peng, Xu Y

    2017-02-23

    Changing of CH4 oxidation potential and biological characteristics with CH4 concentration was studied in a landfill cover soil reactor (LCSR). The maximum rate of CH4 oxidation reached 32.40 mol d(-1) m(-2) by providing sufficient O2 in the LCSR. The kinetic parameters of methane oxidation in landfill cover soil were obtained by fitting substrate diffusion and consumption model based on the concentration profile of CH4 and O2. The values of [Formula: see text] (0.93-2.29%) and [Formula: see text] (140-524 nmol kgsoil-DW(-1)·s(-1)) increased with CH4 concentration (9.25-20.30%), while the values of [Formula: see text] (312.9-2.6%) and [Formula: see text] (1.3 × 10(-5) to 9.0 × 10(-3) nmol mL(-1) h(-1)) were just the opposite. MiSeq pyrosequencing data revealed that Methylobacter (the relative abundance was decreased with height of LCSR) and Methylococcales_unclassified (the relative abundance was increased expect in H 80) became the key players after incubation with increasing CH4 concentration. These findings provide information for assessing CH4 oxidation potential and changing of biological characteristics in landfill cover soil.

  19. Quantification of kinetic parameters for heterotrophic bacteria via respirometry in a hybrid reactor.

    PubMed

    Trapani, Daniele Di; Mannina, Giorgio; Torregrossa, Michele; Viviani, Gaspare

    2010-01-01

    Over the last decade new technologies are emerging even more for wastewater treatment. Among the new technologies, a recent possible solution regards Moving Bed Biofilm Reactors (MBBRs) that represent an effective alternative to conventional processes. More specifically such systems consist in the introduction of plastic elements inside the aerobic reactor as carrier material for the growth of attached biomass. Recently, one of the mostly used alternatives is to couple the Moving Bed Biofilm Reactor (MBBR) process with the conventional activated sludge process, and the resulting process is usually called HMBBR (Hybrid MBBR). In the MBBR process the biofilm grows attached on small plastic elements that are kept in constant motion throughout the entire volume of the reactor. Indeed, in such a system, a competition between the two biomasses, suspended and attached, can arise for the availability of the substrates, leading, as a consequence, to a modification in the biokinetic parameters of the two biomasses, compared to that of a pure suspended or attached biomass process. This paper presents the first results of a study aimed at estimating the kinetic heterotrophic constants in a HMBBR pilot plant using respirometric techniques. The pilot plant was built at the Acqua dei Corsari (Palermo) wastewater treatment plant and consisted of two parallel lines realized in a pre-anoxic scheme, in one of which the carrier material was added to the aerobic reactor with a filling ratio of 30%.

  20. A study on parameter variation effects on battery packs for electric vehicles

    NASA Astrophysics Data System (ADS)

    Zhou, Long; Zheng, Yuejiu; Ouyang, Minggao; Lu, Languang

    2017-10-01

    As one single cell cannot meet power and driving range requirement in an electric vehicle, the battery packs with hundreds of single cells connected in parallel and series should be constructed. The most significant difference between a single cell and a battery pack is cell variation. Not only does cell variation affect pack energy density and power density, but also it causes early degradation of battery and potential safety issues. The cell variation effects on battery packs are studied, which are of great significant to battery pack screening and management scheme. In this study, the description for the consistency characteristics of battery packs was first proposed and a pack model with 96 cells connected in series was established. A set of parameters are introduced to study the cell variation and their impacts on battery packs are analyzed through the battery pack capacity loss simulation and experiments. Meanwhile, the capacity loss composition of the battery pack is obtained and verified by the temperature variation experiment. The results from this research can demonstrate that the temperature, self-discharge rate and coulombic efficiency are the major affecting parameters of cell variation and indicate the dissipative cell equalization is sufficient for the battery pack.

  1. Reflectance of vegetation, soil, and water. [effects of measurable plant parameters on multispectral signal variations

    NASA Technical Reports Server (NTRS)

    Wiegand, C. L. (Principal Investigator)

    1974-01-01

    The author has identified the following significant results. Reflectance of crop residues, that are important in reducing wind and water erosion, was more often different from bare soil in band 4 than in bands 5, 6, or 7. The plant parameters leaf area index, plant population, plant cover, and plant height explained 95.9 percent of the variation in band 7 (reflective infrared) digital counts for cotton and 78.2 percent of the variation in digital counts for the combined crops sorghum and corn; hence, measurable plant parameters explain most of the signal variation recorded for corpland. Leaf area index and plant population are both highly correlated with crop yields; since plant population can be readily measured (or possibly inferred from seeding rates), it is useful measurement for calibrating ERTS-type MSS digital data in terms of yield.

  2. Variation in selected hematological parameters of captive red-tailed hawks.

    PubMed

    Rehder, N B; Bird, D M; Laguë, P C; Mackay, C

    1982-01-01

    Diurnal and winter variations of four hematological parameters were examined in 10 red-tailed hawks (Buteo jamaicensis). The mean values obtained were: 39.4% packed cell volume (PCV); 2.45 X 10(6) erythrocytes (RBC) per mm3 of blood; 5.73 mg of calcium and 1.44 mg of magnesium per 100 ml of plasma. Only the PCV and RBC count showed significant diurnal variation. When the birds were sampled at a set time of day, from November through to February, no significant changes were detected in any of the four parameters. Variation among the birds in RBC count, PCV and calcium concentration was significant on a diurnal basis but over the four month period only the PCV varied significantly.

  3. Thermospheric parameters long-term variations retrieved from ionospheric observations in Europe

    NASA Astrophysics Data System (ADS)

    Mikhailov, A. V.; Perrone, L.

    2016-11-01

    Recently developed method to retrieve thermospheric parameters (Tex, O, O2, and N2) and the total solar EUV flux with λ < 1050 Å from routine foF1 ionosonde observations has been applied to monthly median foF1 data on Rome, Slough/Chilton, and Juliusruh stations to analyze long-term trends in the thermospheric parameters. For the first time exospheric temperature and neutral composition were obtained for June noontime conditions over the period of 5 solar cycles. The retrieved parameter manifested solar cycle and long-term (some solar cycles) variations with a rising phase in 1965-1985 and falling phase in 1985-2008. The retrieved thermospheric parameters were shown to be close to the MSIS-86 model ones exhibiting very small (<1% per decade) and statistically insignificant linear trends estimated either over all 56 years or only over the years of solar minimum. No peculiarities in long-term variations in relation with the last deep solar minimum have been revealed. The source of the thermospheric parameter long-term trends is the Sun, i.e., they have a natural (not anthropogenic) origin and are mainly controlled by long-term variations of solar and geomagnetic activity.

  4. Monte Carlo evaluation of biological variation: Random generation of correlated non-Gaussian model parameters

    NASA Astrophysics Data System (ADS)

    Hertog, Maarten L. A. T. M.; Scheerlinck, Nico; Nicolaï, Bart M.

    2009-01-01

    When modelling the behaviour of horticultural products, demonstrating large sources of biological variation, we often run into the issue of non-Gaussian distributed model parameters. This work presents an algorithm to reproduce such correlated non-Gaussian model parameters for use with Monte Carlo simulations. The algorithm works around the problem of non-Gaussian distributions by transforming the observed non-Gaussian probability distributions using a proposed SKN-distribution function before applying the covariance decomposition algorithm to generate Gaussian random co-varying parameter sets. The proposed SKN-distribution function is based on the standard Gaussian distribution function and can exhibit different degrees of both skewness and kurtosis. This technique is demonstrated using a case study on modelling the ripening of tomato fruit evaluating the propagation of biological variation with time.

  5. The Expanding Family of Natural Anion Channelrhodopsins Reveals Large Variations in Kinetics, Conductance, and Spectral Sensitivity

    PubMed Central

    Govorunova, Elena G.; Sineshchekov, Oleg A.; Rodarte, Elsa M.; Janz, Roger; Morelle, Olivier; Melkonian, Michael; Wong, Gane K.-S.; Spudich, John L.

    2017-01-01

    Natural anion channelrhodopsins (ACRs) discovered in the cryptophyte alga Guillardia theta generate large hyperpolarizing currents at membrane potentials above the Nernst equilibrium potential for Cl− and thus can be used as efficient inhibitory tools for optogenetics. We have identified and characterized new ACR homologs in different cryptophyte species, showing that all of them are anion-selective, and thus expanded this protein family to 20 functionally confirmed members. Sequence comparison of natural ACRs and engineered Cl−-conducting mutants of cation channelrhodopsins (CCRs) showed radical differences in their anion selectivity filters. In particular, the Glu90 residue in channelrhodopsin 2, which needed to be mutated to a neutral or alkaline residue to confer anion selectivity to CCRs, is nevertheless conserved in all of the ACRs identified. The new ACRs showed a large variation of the amplitude, kinetics, and spectral sensitivity of their photocurrents. A notable variant, designated “ZipACR”, is particularly promising for inhibitory optogenetics because of its combination of larger current amplitudes than those of previously reported ACRs and an unprecedentedly fast conductance cycle (current half-decay time 2–4 ms depending on voltage). ZipACR expressed in cultured mouse hippocampal neurons enabled precise photoinhibition of individual spikes in trains of up to 50 Hz frequency. PMID:28256618

  6. Variational cross-validation of slow dynamical modes in molecular kinetics

    PubMed Central

    Pande, Vijay S.

    2015-01-01

    Markov state models are a widely used method for approximating the eigenspectrum of the molecular dynamics propagator, yielding insight into the long-timescale statistical kinetics and slow dynamical modes of biomolecular systems. However, the lack of a unified theoretical framework for choosing between alternative models has hampered progress, especially for non-experts applying these methods to novel biological systems. Here, we consider cross-validation with a new objective function for estimators of these slow dynamical modes, a generalized matrix Rayleigh quotient (GMRQ), which measures the ability of a rank-m projection operator to capture the slow subspace of the system. It is shown that a variational theorem bounds the GMRQ from above by the sum of the first m eigenvalues of the system’s propagator, but that this bound can be violated when the requisite matrix elements are estimated subject to statistical uncertainty. This overfitting can be detected and avoided through cross-validation. These result make it possible to construct Markov state models for protein dynamics in a way that appropriately captures the tradeoff between systematic and statistical errors. PMID:25833563

  7. Respirometric kinetic parameter calculations of a batch jet loop bioreactor treating leachate and oxygen uptake rate estimation by DTM.

    PubMed

    Ince, M; Yildiz, F; Engin, G Onkal; Engin, S N; Keskinler, B

    2008-05-30

    A novel circulating jet loop bioreactor adapted for organic matter oxidation has been designed and constructed. In this study, the input was leachate samples collected from Kemerburgaz Odayeri waste landfill site located on the European side of Istanbul. Controlling the jet loop bioreactor to realize high rates of purification depends on maintaining the appropriate loadings and operating conditions. This requires collecting various system data to estimate the dynamics of the system satisfactorily with the aim of keeping certain parameters within the specified range. The differential transform method (DTM) based solution of the state equations reveals the current state of the process so that any deviation in the system parameters can be immediately detected and regulated accordingly. The respirometric method for kinetic parameter calculations for biodegradation has been used for some time. In many studies, the respirometer was designed separately, usually in bench-scale. However, when a separate respirometer is used, the scale effect and parameters that affect the hydrodynamic structure of the system should be taken into consideration. In this study, therefore, the jet loop reactor itself was used as a respirometer. Thus, the kinetic parameters found reflecting the characteristics of microorganisms used for biodegradation would be more realistic. If the main reactor, here the jet loop reactor, would be used as the respirometer, the kinetic parameter changes can easily be monitored in the long run. Using the bioreactor as a respirometer, the most important kinetic parameters, Ks, kd and micromax were found to be 11,000 mg L(-1), 0.019 day(-1), and 0.21 day(-1), respectively. The stoichiometric coefficient, Y, was found to be 0.28 gr gr(-1) for the present system.

  8. 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.

  9. Effect of adaptive threshold filtering on ultrasonic nakagami parameter to detect variation in scatterer concentration.

    PubMed

    Tsui, Po-Hsiang; Wan, Yung-Liang; Huang, Chih-Chung; Wang, Ming-Chen

    2010-10-01

    The Nakagami parameter is associated with the Nakagami distribution estimated from ultrasonic backscattered signals and closely reflects the scatterer concentrations in tissues. There is an interest in exploring the possibility of enhancing the ability of the Nakagami parameter to characterize tissues. In this paper, we explore the effect of adaptive thresholdfiltering based on the noise-assisted empirical mode decomposition of the ultrasonic backscattered signals on the Nakagami parameter as a function of scatterer concentration for improving the Nakagami parameter performance. We carried out phantom experiments using 5 MHz focused and nonfocused transducers. Before filtering, the dynamic ranges of the Nakagami parameter, estimated using focused and nonfocused transducers between the scatterer concentrations of 2 and 32 scatterers/mm3, were 0.44 and 0.1, respectively. After filtering, the dynamic ranges of the Nakagami parameter, using the focused and nonfocused transducers, were 0.71 and 0.79, respectively. The experimental results showed that the adaptive threshold filter makes the Nakagami parameter measured by a focused transducer more sensitive to the variation in the scatterer concentration. The proposed method also endows the Nakagami parameter measured by a nonfocused transducer with the ability to differentiate various scatterer concentrations. However, the Nakagami parameters estimated by focused and nonfocused transducers after adaptive threshold filtering have different physical meanings: the former represents the statistics of signals backscattered from unresolvable scatterers while the latter is associated with stronger resolvable scatterers or local inhomogeneity due to scatterer aggregation.

  10. Laser beam micro-milling of nickel alloy: dimensional variations and RSM optimization of laser parameters

    NASA Astrophysics Data System (ADS)

    Ahmed, Naveed; Alahmari, Abdulrahman M.; Darwish, Saied; Naveed, Madiha

    2016-12-01

    Micro-channels are considered as the integral part of several engineering devices such as micro-channel heat exchangers, micro-coolers, micro-pulsating heat pipes and micro-channels used in gas turbine blades for aerospace applications. In such applications, a fluid flow is required to pass through certain micro-passages such as micro-grooves and micro-channels. The fluid flow characteristics (flow rate, turbulence, pressure drop and fluid dynamics) are mainly established based on the size and accuracy of micro-passages. Variations (oversizing and undersizing) in micro-passage's geometry directly affect the fluid flow characteristics. In this study, the micro-channels of several sizes are fabricated in well-known aerospace nickel alloy (Inconel 718) through laser beam micro-milling. The variations in geometrical characteristics of different-sized micro-channels are studied under the influences of different parameters of Nd:YAG laser. In order to have a minimum variation in the machined geometries of each size of micro-channel, the multi-objective optimization of laser parameters has been carried out utilizing the response surface methodology approach. The objective was set to achieve the targeted top widths and depths of micro-channels with minimum degree of taperness associated with the micro-channel's sidewalls. The optimized sets of laser parameters proposed for each size of micro-channel can be used to fabricate the micro-channels in Inconel 718 with minimum amount of geometrical variations.

  11. Gas turbine cycle design methodology: A comparison of parameter variation with numerical optimization

    SciTech Connect

    Kurzke, J.

    1999-01-01

    In gas turbine performance simulations often the following question arises: what is the best thermodynamic cycle design point? This is an optimization task which can be attacked in two ways. One can do a series of parameter variations and pick from the resulting graphs the best solution or one can employ numerical optimization algorithms that produce a single cycle that fulfills all constraints. The conventional parameter study builds strongly on the engineering judgment and gives useful information over a range of parameter selections. However, when values for more than a few variables have to be determined while several constraints are existing, then numerical optimization routines can help to find the mathematical optimum faster and more accurately. Sometimes even an outstanding solution is found which was overlooked while doing a preliminary parameter study. For any simulation task a sophisticated graphical user interface is of great benefit. This is especially true for automated numerical optimizations. It is quite helpful to see on the screen of a PC how the variables are changing and which constraints are limiting the design. A quick and clear graphical representation of trade studies is also of great advantage. The paper describes how numerical optimization and parameter studies are implemented in a Windows-based PC program. As an example, the cycle selection of a derivative turbofan engine with a given core shows the merits of numerical optimization. The parameter variation is best suited for presenting the sensitivity of the result in the neighborhood of the optimum cycle design point.

  12. The influence of tomograph sensitivity on kinetic parameter estimation in positron emission tomography imaging studies of the rat brain.

    PubMed

    Meikle, S R; Eberl, S; Fulton, R R; Kassiou, M; Fulham, M J

    2000-08-01

    We investigated the influence of tomograph sensitivity on reliability of parameter estimation in positron emission tomography studies of the rat brain. The kinetics of two tracers in rat striatum and cerebellum were simulated. A typical injected dose of 10 MBq and a reduced dose of 1 MBq were assumed. Kinetic parameters were estimated using a region of interest (ROI) analysis and two pixel-by-pixel analyses. Striatal binding potential was estimated as a function of effective tomograph sensitivity (S(eff)) using a simplified reference tissue model. A S(eff) value of > or =1% was required to ensure reliable parameter estimation for ROI analysis and a S(eff) of 3-6% was required for pixel-by-pixel analysis. We conclude that effective tomograph sensitivity of 3% may be an appropriate design goal for rat brain imaging.

  13. Estimation of fundamental kinetic parameters of polyhydroxybutyrate fermentation process of Azohydromonas australica using statistical approach of media optimization.

    PubMed

    Gahlawat, Geeta; Srivastava, Ashok K

    2012-11-01

    Polyhydroxybutyrate or PHB is a biodegradable and biocompatible thermoplastic with many interesting applications in medicine, food packaging, and tissue engineering materials. The present study deals with the enhanced production of PHB by Azohydromonas australica using sucrose and the estimation of fundamental kinetic parameters of PHB fermentation process. The preliminary culture growth inhibition studies were followed by statistical optimization of medium recipe using response surface methodology to increase the PHB production. Later on batch cultivation in a 7-L bioreactor was attempted using optimum concentration of medium components (process variables) obtained from statistical design to identify the batch growth and product kinetics parameters of PHB fermentation. A. australica exhibited a maximum biomass and PHB concentration of 8.71 and 6.24 g/L, respectively in bioreactor with an overall PHB production rate of 0.75 g/h. Bioreactor cultivation studies demonstrated that the specific biomass and PHB yield on sucrose was 0.37 and 0.29 g/g, respectively. The kinetic parameters obtained in the present investigation would be used in the development of a batch kinetic mathematical model for PHB production which will serve as launching pad for further process optimization studies, e.g., design of several bioreactor cultivation strategies to further enhance the biopolymer production.

  14. Influence of different types of effectors on the kinetic parameters of suicide inactivation of catalase by hydrogen peroxide.

    PubMed

    Ghadermarzi, M; Moosavi-Movahedi, A A

    1999-04-12

    The effects of cyanide and azide ions (class A), sodium-n-dodecyl sulphate (SDS) and 2-mercaptoethanol (class B), 3-aminotriazole (class C) and NADPH (class D) on the initial activity (ai), inactivation rate constant (ki) and the partition ratio (r) of bovine liver catalase reaction with its suicide substrate, hydrogen peroxide, were studied in 50 mM sodium phosphate buffer, pH 7.0 at 27 degrees C. The above kinetic parameters were determined by processing the progress curve data. In class A, which contains fast and reversible inhibitors of catalase, a proportional decrease in ai and ki was observed by inhibitors, so that the r remained constant. In class B, which contains slow and irreversible inactivators, a decrease in ai and constancy of ki and r were observed when catalase was incubated in the presence of such inactivators for a determined time. In class C, containing effector which can combine with intermediate compound I, ai was relatively unchanged but an increase in ki and a decrease in r were observed. In class D, containing effector which reduces compound I to ferricatalase, ai was not affected significantly but some decrease in ki was detected which was linked with an increase in r. These results demonstrate that different classes of effectors affect the determined kinetic parameters of catalase in various ways. Thus, determination of such parameters by simple kinetic experiments can be carried out for classification of the agents which have an effect on the kinetics of catalase.

  15. 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 μmol 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 μmol CO2/g wet sediment/day). When inorganic nitrogen was added alone maximum rates of CO2 production measured were 4.25 ± 0.91 μmol 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 μmol P/g wet sediment) maximum rates of measured CO2 production increased more than four-fold to 18.40 ± 1.04 μmol 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 μmol/g wet sediment and 16.16 ± 1.28 μmol CO2/g wet sediment/day respectively. The corresponding values for P were 63 ± 95 nmol/g wet sediment and 12.05 ± 1.31 μmol 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

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

    PubMed

    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 μmol 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 μmol CO2/g wet sediment/day). When inorganic nitrogen was added alone maximum rates of CO2 production measured were 4.25 ± 0.91 μmol 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 μmol P/g wet sediment) maximum rates of measured CO2 production increased more than four-fold to 18.40 ± 1.04 μmol 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 μmol/g wet sediment and 16.16 ± 1.28 μmol CO2/g wet sediment/day respectively. The corresponding values for P were 63 ± 95 nmol/g wet sediment and 12.05 ± 1.31 μmol 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

  17. Reconstructing the evolution of dark energy with variations of fundamental parameters .

    NASA Astrophysics Data System (ADS)

    Nunes, N. J.; Dent, T.; Martins, C. J. A. P.; Robbers, G.

    Under the assumption that the variations of parameters of nature and the current acceleration of the universe are related and governed by the evolution of a single scalar field, we show how information can be obtained on the nature of dark energy from observational detection of (or constraints on) cosmological variations of the fine structure constant and the proton-to-electron mass ratio. We also comment on the current observational status, and on the prospects for improvements with future spectrographs such as ESPRESSO and CODEX.

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

    SciTech Connect

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

    1997-03-19

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

  19. Kinetic parameter estimation in N. europaea biofilms using a 2-D reactive transport model.

    PubMed

    Lauchnor, Ellen G; Semprini, Lewis; Wood, Brian D

    2015-06-01

    Biofilms of the ammonia oxidizing bacterium Nitrosomonas europaea were cultivated to study microbial processes associated with ammonia oxidation in pure culture. We explored the hypothesis that the kinetic parameters of ammonia oxidation in N. europaea biofilms were in the range of those determined with batch suspended cells. Oxygen and pH microelectrodes were used to measure dissolved oxygen (DO) concentrations and pH above and inside biofilms and reactive transport modeling was performed to simulate the measured DO and pH profiles. A two dimensional (2-D) model was used to simulate advection parallel to the biofilm surface and diffusion through the overlying fluid while reaction and diffusion were simulated in the biofilm. Three experimental studies of microsensor measurements were performed with biofilms: i) NH3 concentrations near the Ksn value of 40 μM determined in suspended cell tests ii) Limited buffering capacity which resulted in a pH gradient within the biofilms and iii) NH3 concentrations well below the Ksn value. Very good fits to the DO concentration profiles both in the fluid above and in the biofilms were achieved using the 2-D model. The modeling study revealed that the half-saturation coefficient for NH3 in N. europaea biofilms was close to the value measured in suspended cells. However, the third study of biofilms with low availability of NH3 deviated from the model prediction. The model also predicted shifts in the DO profiles and the gradient in pH that resulted for the case of limited buffering capacity. The results illustrate the importance of incorporating both key transport and chemical processes in a biofilm reactive transport model.

  20. High Frequency Variations of Earth Rotation Parameters from GPS and GLONASS Observations

    PubMed Central

    Wei, Erhu; Jin, Shuanggen; Wan, Lihua; Liu, Wenjie; Yang, Yali; Hu, Zhenghong

    2015-01-01

    The Earth's rotation undergoes changes with the influence of geophysical factors, such as Earth's surface fluid mass redistribution of the atmosphere, ocean and hydrology. However, variations of Earth Rotation Parameters (ERP) are still not well understood, particularly the short-period variations (e.g., diurnal and semi-diurnal variations) and their causes. In this paper, the hourly time series of Earth Rotation Parameters are estimated using Global Positioning System (GPS), Global Navigation Satellite System (GLONASS), and combining GPS and GLONASS data collected from nearly 80 sites from 1 November 2012 to 10 April 2014. These new observations with combining different satellite systems can help to decorrelate orbit biases and ERP, which improve estimation of ERP. The high frequency variations of ERP are analyzed using a de-trending method. The maximum of total diurnal and semidiurnal variations are within one milli-arcseconds (mas) in Polar Motion (PM) and 0.5 milli-seconds (ms) in UT1-UTC. The semidiurnal and diurnal variations are mainly related to the ocean tides. Furthermore, the impacts of satellite orbit and time interval used to determinate ERP on the amplitudes of tidal terms are analyzed. We obtain some small terms that are not described in the ocean tide model of the IERS Conventions 2010, which may be caused by the strategies and models we used or the signal noises as well as artifacts. In addition, there are also small differences on the amplitudes between our results and IERS convention. This might be a result of other geophysical excitations, such as the high-frequency variations in atmospheric angular momentum (AAM) and hydrological angular momentum (HAM), which needs more detailed analysis with more geophysical data in the future. PMID:25635416

  1. High frequency variations of Earth Rotation Parameters from GPS and GLONASS observations.

    PubMed

    Wei, Erhu; Jin, Shuanggen; Wan, Lihua; Liu, Wenjie; Yang, Yali; Hu, Zhenghong

    2015-01-28

    The Earth's rotation undergoes changes with the influence of geophysical factors, such as Earth's surface fluid mass redistribution of the atmosphere, ocean and hydrology. However, variations of Earth Rotation Parameters (ERP) are still not well understood, particularly the short-period variations (e.g., diurnal and semi-diurnal variations) and their causes. In this paper, the hourly time series of Earth Rotation Parameters are estimated using Global Positioning System (GPS), Global Navigation Satellite System (GLONASS), and combining GPS and GLONASS data collected from nearly 80 sites from 1 November 2012 to 10 April 2014. These new observations with combining different satellite systems can help to decorrelate orbit biases and ERP, which improve estimation of ERP. The high frequency variations of ERP are analyzed using a de-trending method. The maximum of total diurnal and semidiurnal variations are within one milli-arcseconds (mas) in Polar Motion (PM) and 0.5 milli-seconds (ms) in UT1-UTC. The semidiurnal and diurnal variations are mainly related to the ocean tides. Furthermore, the impacts of satellite orbit and time interval used to determinate ERP on the amplitudes of tidal terms are analyzed. We obtain some small terms that are not described in the ocean tide model of the IERS Conventions 2010, which may be caused by the strategies and models we used or the signal noises as well as artifacts. In addition, there are also small differences on the amplitudes between our results and IERS convention. This might be a result of other geophysical excitations, such as the high-frequency variations in atmospheric angular momentum (AAM) and hydrological angular momentum (HAM), which needs more detailed analysis with more geophysical data in the future.

  2. The Effect of Kinetic Properties on Statistical Variations of Ultrasound Signals Backscattered from Flowing Blood

    NASA Astrophysics Data System (ADS)

    Huang, Chih-Chung; Lin, Yi-Hsun; Wang, Shyh-Hau

    2009-02-01

    Yet very little is known about the effect of “black hole” (BH) phenomenon on backscattering signal statistics under the laminar flow. To further explore this issue, measurements were performed from the porcine blood (with hematocrits of 20 and 50%) circulating in a mock flow loop under various steady flows at velocities ranged from 15 to 122 mm/s using a 10 MHz ultrasonic transducer. Results showed that the BH was apparent for the 50% blood flowing at a low velocity. The BH tended to be decreased with the increase of flow velocity and that it was hardly observed from the 20% blood. The probability density function of signals backscattered from blood tended to distribute as pre-Rayleigh statistics and the Nakagami parameter was less than 1. The spatial distribution of red cell aggregation in the flow tube is a predominant factor leading to statistical variations of ultrasonic backscattering in the flowing blood.

  3. Investigation of thermoluminescence and kinetic parameters of CaMgB2O5: Dy3+ nanophosphor

    NASA Astrophysics Data System (ADS)

    Manhas, M.; Kumar, Vinay; Ntwaeaborwa, O. M.; Swart, H. C.

    2016-05-01

    In this paper, thermoluminescence (TL) properties of Dy3+ (1.5 mol %) doped CaMgB2O5 nanophosphor after being exposed to ultraviolet (UV) radiations (λ=254nm) were investigated. In UV exposed samples, the thermoluminescence glow curve consists of a broad glow peak located at 380 K with a small shoulder at 507 K. A shift in glow peak temperature from 367 K to 380 K after the UV exposure for 80 min was observed, which clearly shows that glow peaks follow the second order kinetics. The TL intensity of the peaks increases with an increase in the exposure time of UV rays (10-180 min). The TL Anal program was used to analyze the glow curve. The kinetic parameters such as activation energy (E), the frequency factor (s) and the order of kinetics (b) were calculated for CaMgB2O5: Dy3+ nanophosphors.

  4. Functional genomics of intraspecific variation in carbon and phosphorus kinetics in Daphnia.

    PubMed

    Chowdhury, Priyanka Roy; Lopez, Jacqueline A; Weider, Lawrence J; Colbourne, John K; Jeyasingh, Punidan D

    2014-08-01

    Understanding how the genome interacts with the environment to produce a diversity of phenotypes is a central challenge in biology. However, we know little about how traits involved in nutrient processing interact with key ecological parameters, such as the supply of mineral nutrients, particularly in animals. The framework of ecological stoichiometry uses information on the content of key elements such as carbon (C) and phosphorus (P) in individuals to predict the success of species. Nevertheless, intraspecific variation in content and the underlying mechanisms that generate such variation has been poorly explored. We studied two genotypes (G1 and G2) of Daphnia pulex that exhibit striking genotype × environment (G × E) interaction in response to shifts in dietary stoichiometry (C:P). G1 had higher fitness under C:P ∼ 100 diet, while G2 performed better in C:P ∼ 800. Dual (14) C/(33) P radiotracer assays show that G1 was more efficient in C processing, while G2 was more efficient in P use. Microarrays revealed that after 3 days of incubation, the genotypes differentially expressed ∼ 25% (7,224) of the total genes on the array under C:P ∼ 100 diet, and ∼ 30% (8,880) of genes under C:P ∼ 800. These results indicate large differences in C and P use between two coexisting genotypes. Importantly, such physiological differences can arise via differential expression of the genome due to alterations in dietary stoichiometry. Basic frameworks such as ecological stoichiometry enable integration of physiological and transcriptomic data, and represent initial steps toward understanding the interplay between fundamental ecological parameters such as nutrient supply and important evolutionary processes such as G × E interactions. © 2014 Wiley Periodicals, Inc.

  5. Arsenic Species in Chicken Breast: Temporal Variations of Metabolites, Elimination Kinetics, and Residual Concentrations.

    PubMed

    Liu, Qingqing; Peng, Hanyong; Lu, Xiufen; Zuidhof, Martin J; Li, Xing-Fang; Le, X Chris

    2016-08-01

    Chicken meat has the highest per capita consumption among all meat types in North America. The practice of feeding 3-nitro-4-hydroxyphenylarsonic acid (Roxarsone, Rox) to chickens lasted for more than 60 years. However, the fate of Rox and arsenic metabolites remaining in chicken are poorly understood. We aimed to determine the elimination of Rox and metabolites from chickens and quantify the remaining arsenic species in chicken meat, providing necessary information for meaningful exposure assessment. We have conducted a 35-day feeding experiment involving 1,600 chickens, of which half were control and the other half were fed a Rox-supplemented diet for the first 28 days and then a Rox-free diet for the final 7 days. We quantified the concentrations of individual arsenic species in the breast meat of 229 chickens. Rox, arsenobetaine, arsenite, monomethylarsonic acid, dimethylarsinic acid, and a new arsenic metabolite, were detected in breast meat from chickens fed Rox. The concentrations of arsenic species, except arsenobetaine, were significantly higher in the Rox-fed than in the control chickens. The half-lives of elimination of these arsenic species were 0.4-1 day. Seven days after termination of Rox feeding, the concentrations of arsenite (3.1 μg/kg), Rox (0.4 μg/kg), and a new arsenic metabolite (0.8 μg/kg) were significantly higher in the Rox-fed chickens than in the control. Feeding of Rox to chickens increased the concentrations of five arsenic species in breast meat. Although most arsenic species were excreted rapidly when the feeding of Rox stopped, arsenic species remaining in the Rox-fed chickens were higher than the background levels. Liu Q, Peng H, Lu X, Zuidhof MJ, Li XF, Le XC. 2016. Arsenic species in chicken breast: temporal variations of metabolites, elimination kinetics, and residual concentrations. Environ Health Perspect 124:1174-1181; http://dx.doi.org/10.1289/ehp.1510530.

  6. [Periodical changes of various hematological parameters of the human body adaptation and gravitation fields variations].

    PubMed

    Gederim, V V; Sokolovskiĭ, V V; Gorshkov, E S; Shapovalov, S N; Troshichev, O A

    2001-01-01

    Monitoring the content of lymphocytes and nucleated neutrophils (observation period 10.5 months) and the determination of the values of leucocytes coefficient and erythrocyte sedimentation rate in chronic patients revealed rhythms of oscillations of these parameters (from 3-5 to 33 days). The coincidence of these rhythms with the rhythms of variations of gravitational field indicates that gravitational field affects the quantitative blood cell composition and the rheological properties of blood.

  7. Influence of analogy instruction for pitch variation on perceptual ratings of other speech parameters.

    PubMed

    Tse, Andy C Y; Wong, Andus W-K; Ma, Estella P-M; Whitehill, Tara L; Masters, Rich S W

    2013-06-01

    Analogy is the similarity of different concepts on which a comparison can be based. Recently, an analogy of "waves at sea" was shown to be effective in modulating fundamental frequency (F0) variation. Perceptions of intonation were not examined, as the primary aim of the work was to determine whether analogy instruction had a negative impact on other parameters of the speech signal compared with explicit instruction. The purpose of this study was (a) to determine whether changes in the standard deviation of F0, acoustically, resulted in similar changes in the perception of pitch variability and (b) to determine the perceptual influence of analogy vs. explicit instructions on speech naturalness, loudness, and rate. Ten speech-language pathologists were asked to listen to and rate pitch variation, speech naturalness, loudness, and rate for 74 Cantonese speech samples using a visual analogue scale, which allowed raters to indicate their subjective perceptions of each parameter. It is revealed that listeners perceived pitch variation to be greater and speech to be more natural in analogy-instructed, rather than explicitly instructed, speech. No differences were perceived for ratings of speech loudness or speech rate. It is concluded that analogy instruction has a less negative impact on the naturalness of speech than explicit instruction and may provide a better method by which to manipulate desired pitch variation.

  8. Uncertainty in MR tracer kinetic parameters and water exchange rates estimated from T1-weighted dynamic contrast enhanced MRI

    PubMed Central

    Zhang, Jin; Kim, Sungheon

    2014-01-01

    Purpose The aim of this study was to assess the uncertainty in estimation of MR tracer kinetic parameters and water exchange rates in T1-weighted dynamic contrast enhanced (DCE)-MRI. Methods Simulated DCE-MRI data were used to assess four kinetic models; general kinetic model with a vascular compartment (GKM2), GKM2 combined with the 3S2X model (SSM2), adiabatic approximation of the tissue homogeneity model (ATH), and ATH combined 3S2X model (ATHX). Results In GKM2 and SSM2, increase in transfer constant (Ktrans) led to underestimation of vascular volume fraction (vb), and increase in vb led to overestimation of Ktrans. Such coupling between Ktrans and vb was not observed in ATH and ATHX. The precision of estimated intracellular water lifetime (τi) was substantially improved in both SSM2 and ATHX when Ktrans > 0.3 min−1. Ktrans and vb from ATHX model had significantly smaller errors than those from ATH model (p<0.05). Conclusion The results of this study demonstrated the feasibility of measuring τi from DCE-MRI data albeit low precision. While the inclusion of the water exchange model improved the accuracy of Ktrans, vb, and the interstitial volume fraction estimation (ve), it lowered the precision of other kinetic model parameters within the conditions investigated in this study. PMID:24006341

  9. 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 μm particles.

  10. 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 μm particles.

  11. Haematology and Serum Biochemistry Parameters and Variations in the Eurasian Beaver (Castor fiber)

    PubMed Central

    Girling, Simon J.; Campbell-Palmer, Roisin; Pizzi, Romain; Fraser, Mary A.; Cracknell, Jonathan; Arnemo, Jon; Rosell, Frank

    2015-01-01

    Haematology parameters (N = 24) and serum biochemistry parameters (N = 35) were determined for wild Eurasian beavers (Castor fiber), between 6 months – 12 years old. Of the population tested in this study, N = 18 Eurasian beavers were from Norway and N = 17 originating from Bavaria but now living extensively in a reserve in England. All blood samples were collected from beavers via the ventral tail vein. All beavers were chemically restrained using inhalant isoflurane in 100% oxygen prior to blood sampling. Results were determined for haematological and serum biochemical parameters for the species and were compared between the two different populations with differences in means estimated and significant differences being noted. Standard blood parameters for the Eurasian beaver were determined and their ranges characterised using percentiles. Whilst the majority of blood parameters between the two populations showed no significant variation, haemoglobin, packed cell volume, mean cell haemoglobin and white blood cell counts showed significantly greater values (p<0.01) in the Bavarian origin population than the Norwegian; neutrophil counts, alpha 2 globulins, cholesterol, sodium: potassium ratios and phosphorus levels showed significantly (p<0.05) greater values in Bavarian versus Norwegian; and potassium, bile acids, gamma globulins, urea, creatinine and total calcium values levels showed significantly (p<0.05) greater values in Norwegian versus Bavarian relict populations. No significant differences were noted between male and female beavers or between sexually immature (<3 years old) and sexually mature (≥3 years old) beavers in the animals sampled. With Eurasian beaver reintroduction encouraged by legislation throughout Europe, knowledge of baseline blood values for the species and any variations therein is essential when assessing their health and welfare and the success or failure of any reintroduction program. This is the first study to produce base

  12. Haematology and Serum Biochemistry Parameters and Variations in the Eurasian Beaver (Castor fiber).

    PubMed

    Girling, Simon J; Campbell-Palmer, Roisin; Pizzi, Romain; Fraser, Mary A; Cracknell, Jonathan; Arnemo, Jon; Rosell, Frank

    2015-01-01

    Haematology parameters (N = 24) and serum biochemistry parameters (N = 35) were determined for wild Eurasian beavers (Castor fiber), between 6 months - 12 years old. Of the population tested in this study, N = 18 Eurasian beavers were from Norway and N = 17 originating from Bavaria but now living extensively in a reserve in England. All blood samples were collected from beavers via the ventral tail vein. All beavers were chemically restrained using inhalant isoflurane in 100% oxygen prior to blood sampling. Results were determined for haematological and serum biochemical parameters for the species and were compared between the two different populations with differences in means estimated and significant differences being noted. Standard blood parameters for the Eurasian beaver were determined and their ranges characterised using percentiles. Whilst the majority of blood parameters between the two populations showed no significant variation, haemoglobin, packed cell volume, mean cell haemoglobin and white blood cell counts showed significantly greater values (p<0.01) in the Bavarian origin population than the Norwegian; neutrophil counts, alpha 2 globulins, cholesterol, sodium: potassium ratios and phosphorus levels showed significantly (p<0.05) greater values in Bavarian versus Norwegian; and potassium, bile acids, gamma globulins, urea, creatinine and total calcium values levels showed significantly (p<0.05) greater values in Norwegian versus Bavarian relict populations. No significant differences were noted between male and female beavers or between sexually immature (<3 years old) and sexually mature (≥3 years old) beavers in the animals sampled. With Eurasian beaver reintroduction encouraged by legislation throughout Europe, knowledge of baseline blood values for the species and any variations therein is essential when assessing their health and welfare and the success or failure of any reintroduction program. This is the first study to produce base

  13. Variations in protein/flavin hydrogen bonding in a LOV domain produce non-Arrhenius kinetics of adduct decay†

    PubMed Central

    Zoltowski, Brian D.; Nash, Abigail I.; Gardner, Kevin H.

    2011-01-01

    Light Oxygen Voltage (LOV) domains utilize a conserved blue light-dependent mechanism to control a diverse array of effector domains in biological and engineered proteins. Variations in the kinetics and efficiency of LOV photochemistry fine tune various aspects of the photic response. Characterization of the kinetics of a key aspect of this photochemical mechanism in EL222, a blue-light responsive DNA binding protein from Erythrobacter litoralis HTCC2594, reveals unique non-Arrhenius behavior in the rate of dark state cleavage of the photochemically-generated adduct. Sequence analysis and mutagenesis studies establish that this effect stems from a Gln to Ala mutation unique to EL222 and homologous proteins from marine bacteria. Kinetic and spectroscopic analyses reveal that hydrogen bonding interactions between the FMN N1, O2 and ribityl hydroxyls with the surrounding protein regulate photocycle kinetics and stabilize the LOV active site from temperature-induced alteration in local structure. Substitution of residues interacting with the N1-O2 locus modulates adduct stability, structural flexibility and sequestration of the active site from bulk solvent without perturbation of light-activated DNA binding. Together, these variants link non-Arrhenius behavior to specific alteration of an H-bonding network, while affording tunability of photocycle kinetics. PMID:21923139

  14. Pile noise experiment in MINERVE reactor to estimate kinetic parameters using various data processing methods

    SciTech Connect

    Geslot, Benoit; Gruel, Adrien; Pepino, Alexandra; Di Salvo, Jacques; Izarra, Gregoire de; Jammes, Christian; Destouches, Christophe; Blaise, Patrick

    2015-07-01

    MINERVE is a two-zone pool type zero power reactor operated by CEA (Cadarache, France). Kinetic parameters of the core (prompt neutron decay constant, delayed neutron fraction, generation time) have been recently measured using various pile noise experimental techniques, namely Feynman-α, Rossi-α and Cohn-α. Results are discussed and compared to each other's. The measurement campaign has been conducted in the framework of a tri-partite collaboration between CEA, SCK.CEN and PSI. Results presented in this paper were obtained thanks to a time-stamping acquisition system developed by CEA. PSI performed simultaneous measurements which are presented in a companion paper. Signals come from two high efficiency fission chambers located in the graphite reflector next to the core driver zone. Experiments were conducted at critical state with a reactor power of 0.2 W. The core integral fission rate is obtained from a calibrated miniature fission chamber located at the center of the core. Other results obtained in two sub-critical configurations will be presented elsewhere. Best estimate delayed neutron fraction comes from the Cohn-α method: 747 ± 15 pcm (1σ). In this case, the prompt decay constant is 79 ± 0.5 s{sup -1} and the generation time is 94.5 ± 0.7 μs. Other methods give consistent results within the confidence intervals. Experimental results are compared to calculated values obtained from a full 3D core modeling with the CEA-developed Monte Carlo code TRIPOLI4.9 associated with its continuous energy JEFF3.1.1-based library. A very good agreement is observed for the calculated delayed neutron fraction (748.7 ± 0.4 pcm at 1σ), that is a difference of -0.3% with the experiment. On the contrary, a 10% discrepancy is observed for the calculated generation time (104.4 ± 0.1 μs at 1σ). (authors)

  15. The impact of variation in the pulse sequence parameters on image uniformity in magnetic resonance imaging.

    PubMed

    Amin, Naima; Afzal, Mohammad

    2009-04-01

    To evaluate the practical impact of alteration of key imaging parameters of Magnetic Resonance Imaging on image quality and effectiveness provided by widely available fast imaging pulse sequences. A tissue equivalent material for Magnetic resonance Imaging (MRI) has been produced from a polysaccharide gel, agros, containing gadolinium chloride chelated to Ethylene Diamine Tetra- Acetic acid (EDTA) with a sort of T1 and T2 values. Experimental variations in key parameters included echo time (TE) and repetition time TR. Quantitative analysis consisted of image nonuniformity. In T2 weighted images; any change in TE played a critical role in the signal homogeneity in all pulse sequences. The percentage of nonuniformity was incredibly high in T2 weighted image but the change of TR was insignificant in T2-weighted study. Involving T1 weighted images, percentage of nonuniformity was high in gradient recalled echo (GRE), also noticeable in fast fluid attenuated recovery (FLAIR) but quite acceptable in fast spin echo (FSE) and conventional spin echo (CSE). Selection of parameters relatively simple in CSE both in T1, T2-weighted study that maintains image uniformity and quality as well. GRE is a very sensitive pulse sequence for any variation in parameters and loose signal uniformity rapidly.

  16. ITC Recommendations for Transporter Kinetic Parameter Estimation and Translational Modeling of Transport-Mediated PK and DDIs in Humans

    PubMed Central

    Zamek-Gliszczynski, MJ; Lee, CA; Poirier, A; Bentz, J; Chu, X; Ellens, H; Ishikawa, T; Jamei, M; Kalvass, JC; Nagar, S; Pang, KS; Korzekwa, K; Swaan, PW; Taub, ME; Zhao, P; Galetin, A

    2013-01-01

    This white paper provides a critical analysis of methods for estimating transporter kinetics and recommendations on proper parameter calculation in various experimental systems. Rational interpretation of transporter-knockout animal findings and application of static and dynamic physiologically based modeling approaches for prediction of human transporter-mediated pharmacokinetics and drug–drug interactions (DDIs) are presented. The objective is to provide appropriate guidance for the use of in vitro, in vivo, and modeling tools in translational transporter science. PMID:23588311

  17. 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

  18. Monoculture parameters successfully predict coculture growth kinetics of Bacteroides thetaiotaomicron and two Bifidobacterium strains.

    PubMed

    Van Wey, A S; Cookson, A L; Roy, N C; McNabb, W C; Soboleva, T K; Shorten, P R

    2014-11-17

    Microorganisms rarely live in isolation but are most often found in a consortium. This provides the potential for cross-feeding and nutrient competition among the microbial species, which make it challenging to predict the growth kinetics in coculture. In this paper we developed a mathematical model to describe substrate consumption and subsequent microbial growth and metabolite production for bacteria grown in monoculture. The model characterized substrate utilization kinetics of 18 Bifidobacterium strains. Some bifidobacterial strains demonstrated preferential degradation of oligofructose in that sugars with low degree of polymerization (DP) (DP≤3 or 4) were metabolized before sugars of higher DP, or vice versa. Thus, we expanded the model to describe the preferential degradation of oligofructose. In addition, we adapted the model to describe the competition between human colonic bacteria Bacteroides thetaiotaomicron LMG 11262 and Bifidobacterium longum LMG 11047 or Bifidobacterium breve Yakult for inulin as well as cross-feeding of breakdown products from the extracellular hydrolysis of inulin by B. thetaiotaomicron LMG 11262. We found that the coculture growth kinetics could be predicted based on the respective monoculture growth kinetics. Using growth kinetics from monoculture experiments to predict coculture dynamics will reduce the number of in vitro experiments required to parameterize multi-culture models.

  19. Temporal and spatial variations of Gutenberg-Richter parameter and fractal dimension in Western Anatolia, Turkey

    NASA Astrophysics Data System (ADS)

    Bayrak, Erdem; Yılmaz, Şeyda; Bayrak, Yusuf

    2017-05-01

    The temporal and spatial variations of Gutenberg-Richter parameter (b-value) and fractal dimension (DC) during the period 1900-2010 in Western Anatolia was investigated. The study area is divided into 15 different source zones based on their tectonic and seismotectonic regimes. We calculated the temporal variation of b and DC values in each region using Zmap. The temporal variation of these parameters for the prediction of major earthquakes was calculated. The spatial distribution of these parameters is related to the stress levels of the faults. We observed that b and DC values change before the major earthquakes in the 15 seismic regions. To evaluate the spatial distribution of b and DC values, 0.50° × 0.50° grid interval were used. The b-values smaller than 0.70 are related to the Aegean Arc and Eskisehir Fault. The highest values are related to Sultandağı and Sandıklı Faults. Fractal correlation dimension varies from 1.65 to 2.60, which shows that the study area has a higher DC value. The lowest DC values are related to the joining area between Aegean and Cyprus arcs, Burdur-Fethiye fault zone. Some have concluded that b-values drop instantly before large shocks. Others suggested that temporally stable low b value zones identify future large earthquake locations. The results reveal that large earthquakes occur when b decreases and DC increases, suggesting that variation of b and DC can be used as an earthquake precursor. Mapping of b and DC values provide information about the state of stress in the region, i.e. lower b and higher DC values associated with epicentral areas of large earthquakes.

  20. Variations of cosmic large-scale structure covariance matrices across parameter space

    NASA Astrophysics Data System (ADS)

    Reischke, Robert; Kiessling, Alina; Schäfer, Björn Malte

    2017-03-01

    The likelihood function for cosmological parameters, given by e.g. weak lensing shear measurements, depends on contributions to the covariance induced by the non-linear evolution of the cosmic web. As highly non-linear clustering to date has only been described by numerical N-body simulations in a reliable and sufficiently precise way, the necessary computational costs for estimating those covariances at different points in parameter space are tremendous. In this work, we describe the change of the matter covariance and the weak lensing covariance matrix as a function of cosmological parameters by constructing a suitable basis, where we model the contribution to the covariance from non-linear structure formation using Eulerian perturbation theory at third order. We show that our formalism is capable of dealing with large matrices and reproduces expected degeneracies and scaling with cosmological parameters in a reliable way. Comparing our analytical results to numerical simulations, we find that the method describes the variation of the covariance matrix found in the SUNGLASS weak lensing simulation pipeline within the errors at one-loop and tree-level for the spectrum and the trispectrum, respectively, for multipoles up to ℓ ≤ 1300. We show that it is possible to optimize the sampling of parameter space where numerical simulations should be carried out by minimizing interpolation errors and propose a corresponding method to distribute points in parameter space in an economical way.

  1. Tolerable Variation in Item Parameter Estimates for Linear and Adaptive Computer-Based Testing. Research Report No. 04-28

    ERIC Educational Resources Information Center

    Rizavi, Saba; Way, Walter D.; Davey, Tim; Herbert, Erin

    2004-01-01

    Item parameter estimates vary for a variety of reasons, including estimation error, characteristics of the examinee samples, and context effects (e.g., item location effects, section location effects, etc.). Although we expect variation based on theory, there is reason to believe that observed variation in item parameter estimates exceeds what…

  2. Variation of ice crystal size, shape, and asymmetry parameter in tops of tropical deep convective clouds

    NASA Astrophysics Data System (ADS)

    van Diedenhoven, Bastiaan; Fridlind, Ann M.; Cairns, Brian; Ackerman, Andrew S.

    2014-10-01

    The variation of ice crystal properties in the tops of deep convective clouds off the north coast of Australia is analyzed. Cloud optical thickness, ice effective radius, aspect ratio of ice crystal components, crystal distortion parameter and asymmetry parameter are simultaneously retrieved from combined measurements of the Moderate Resolution Imaging Spectroradiometer (MODIS) and Polarization and Directionality of the Earth's Reflectances (POLDER) satellite instruments. The data are divided into periods with alternating weak and strong convection. Mostly plate-like particle components with aspect ratios closer to unity and lower asymmetry parameters characterize strongly convective periods, while weakly convective periods generally show lower aspect ratios, relatively more column-like shapes and somewhat greater asymmetry parameters. Results for strongly convective periods show that, with increasing cloud top temperature, the distortion parameter generally decreases, while the asymmetry parameter and effective radius increase. For one of the strongly convective periods, the rate at which effective radii increase with cloud top temperature is more than double that of the other periods, while the temperature dependence of the other microphysical quantities for this period is substantially weaker. Atmospheric state analysis indicates that these differences are concurrent with differences in middle-to-upper tropospheric zonal wind shear. The observed variation of microphysical properties may have significant effects on the shortwave radiative fluxes and cloud absorption associated with deep convection. Additionally, MODIS collection 5 effective radii are estimated to be biased small with an artificially narrow range. Collection 6 products are expected to have less severe biases that depend on cloud top temperature and atmospheric conditions.

  3. The effect of macroscopic parameters and medium composition on the kinetics of phase transitions in liquids

    NASA Astrophysics Data System (ADS)

    Novikova, V. I.; Novikov, P. A.; Pavlov, B. M.; Sharonov, N. F.; Malenko, G. L.

    1985-07-01

    The evaporation kinetics of water in helium, nitrogen, argon, carbon dioxide, and Freon-22 is investigated experimentally in the pressure range 1300-6700 Pa. Expressions are obtained which relate the evaporation rate to the pressure and temperature of the ambient atmosphere, the temperature of the evaporation surface, the molecular weight of the inert gas, and the normalized molecular weight of the vapor-gas mixture. The reasons for the discrepancies in the literature concerning the effect of inert gases on the kinetics of phase transitions in liquids are examined.

  4. Effects of fragmentation parameter variations on estimates of galactic cosmic ray exposure: Dose sensitivity studies for aluminum shields

    NASA Technical Reports Server (NTRS)

    Townsend, Lawrence W.; Cucinotta, Francis A.; Shinn, Judy L.; Wilson, John W.

    1992-01-01

    Initial studies of the sensitivities of estimates of particle fluence, absorbed dose, and dose equivalent to fragmentation parameter variations are undertaken by using the LaRC galactic cosmic ray transport code (HZETRN). The new results, presented as a function of aluminum shield thickness, include upper and lower bounds on dose/dose equivalent corresponding to the physically realistic extremes of the fragmentation process and the percentage of variation of the dose/dose equivalent as a function of fragmentation parameter variation.

  5. A parameter-free variational coupling approach for trimmed isogeometric thin shells

    NASA Astrophysics Data System (ADS)

    Guo, Yujie; Ruess, Martin; Schillinger, Dominik

    2016-12-01

    The non-symmetric variant of Nitsche's method was recently applied successfully for variationally enforcing boundary and interface conditions in non-boundary-fitted discretizations. In contrast to its symmetric variant, it does not require stabilization terms and therefore does not depend on the appropriate estimation of stabilization parameters. In this paper, we further consolidate the non-symmetric Nitsche approach by establishing its application in isogeometric thin shell analysis, where variational coupling techniques are of particular interest for enforcing interface conditions along trimming curves. To this end, we extend its variational formulation within Kirchhoff-Love shell theory, combine it with the finite cell method, and apply the resulting framework to a range of representative shell problems based on trimmed NURBS surfaces. We demonstrate that the non-symmetric variant applied in this context is stable and can lead to the same accuracy in terms of displacements and stresses as its symmetric counterpart. Based on our numerical evidence, the non-symmetric Nitsche method is a viable parameter-free alternative to the symmetric variant in elastostatic shell analysis.

  6. Sample size planning for the coefficient of variation from the accuracy in parameter estimation approach.

    PubMed

    Kelley, Ken

    2007-11-01

    The accuracy in parameter estimation approach to sample size planning is developed for the coefficient of variation, where the goal of the method is to obtain an accurate parameter estimate by achieving a sufficiently narrow confidence interval. The first method allows researchers to plan sample size so that the expected width of the confidence interval for the population coefficient of variation is sufficiently narrow. A modification allows a desired degree of assurance to be incorporated into the method, so that the obtained confidence interval will be sufficiently narrow with some specified probability (e.g., 85% assurance that the 95 confidence interval width will be no wider than to units). Tables of necessary sample size are provided for a variety of scenarios that may help researchers planning a study where the coefficient of variation is of interest plan an appropriate sample size in order to have a sufficiently narrow confidence interval, optionally with somespecified assurance of the confidence interval being sufficiently narrow. Freely available computer routines have been developed that allow researchers to easily implement all of the methods discussed in the article.

  7. A parameter-free variational coupling approach for trimmed isogeometric thin shells

    NASA Astrophysics Data System (ADS)

    Guo, Yujie; Ruess, Martin; Schillinger, Dominik

    2017-04-01

    The non-symmetric variant of Nitsche's method was recently applied successfully for variationally enforcing boundary and interface conditions in non-boundary-fitted discretizations. In contrast to its symmetric variant, it does not require stabilization terms and therefore does not depend on the appropriate estimation of stabilization parameters. In this paper, we further consolidate the non-symmetric Nitsche approach by establishing its application in isogeometric thin shell analysis, where variational coupling techniques are of particular interest for enforcing interface conditions along trimming curves. To this end, we extend its variational formulation within Kirchhoff-Love shell theory, combine it with the finite cell method, and apply the resulting framework to a range of representative shell problems based on trimmed NURBS surfaces. We demonstrate that the non-symmetric variant applied in this context is stable and can lead to the same accuracy in terms of displacements and stresses as its symmetric counterpart. Based on our numerical evidence, the non-symmetric Nitsche method is a viable parameter-free alternative to the symmetric variant in elastostatic shell analysis.

  8. Arsenic Species in Chicken Breast: Temporal Variations of Metabolites, Elimination Kinetics, and Residual Concentrations

    PubMed Central

    Liu, Qingqing; Peng, Hanyong; Lu, Xiufen; Zuidhof, Martin J.; Li, Xing-Fang; Le, X. Chris

    2016-01-01

    Background: Chicken meat has the highest per capita consumption among all meat types in North America. The practice of feeding 3-nitro-4-hydroxyphenylarsonic acid (Roxarsone, Rox) to chickens lasted for more than 60 years. However, the fate of Rox and arsenic metabolites remaining in chicken are poorly understood. Objectives: We aimed to determine the elimination of Rox and metabolites from chickens and quantify the remaining arsenic species in chicken meat, providing necessary information for meaningful exposure assessment. Methods: We have conducted a 35-day feeding experiment involving 1,600 chickens, of which half were control and the other half were fed a Rox-supplemented diet for the first 28 days and then a Rox-free diet for the final 7 days. We quantified the concentrations of individual arsenic species in the breast meat of 229 chickens. Results: Rox, arsenobetaine, arsenite, monomethylarsonic acid, dimethylarsinic acid, and a new arsenic metabolite, were detected in breast meat from chickens fed Rox. The concentrations of arsenic species, except arsenobetaine, were significantly higher in the Rox-fed than in the control chickens. The half-lives of elimination of these arsenic species were 0.4–1 day. Seven days after termination of Rox feeding, the concentrations of arsenite (3.1 μg/kg), Rox (0.4 μg/kg), and a new arsenic metabolite (0.8 μg/kg) were significantly higher in the Rox-fed chickens than in the control. Conclusion: Feeding of Rox to chickens increased the concentrations of five arsenic species in breast meat. Although most arsenic species were excreted rapidly when the feeding of Rox stopped, arsenic species remaining in the Rox-fed chickens were higher than the background levels. Citation: Liu Q, Peng H, Lu X, Zuidhof MJ, Li XF, Le XC. 2016. Arsenic species in chicken breast: temporal variations of metabolites, elimination kinetics, and residual concentrations. Environ Health Perspect 124:1174–1181; http://dx.doi.org/10.1289/ehp

  9. Sensitivity analysis and parameter estimation for distributed hydrological modeling: potential of variational methods

    NASA Astrophysics Data System (ADS)

    Castaings, W.; Dartus, D.; Le Dimet, F.-X.; Saulnier, G.-M.

    2009-04-01

    Variational methods are widely used for the analysis and control of computationally intensive spatially distributed systems. In particular, the adjoint state method enables a very efficient calculation of the derivatives of an objective function (response function to be analysed or cost function to be optimised) with respect to model inputs. In this contribution, it is shown that the potential of variational methods for distributed catchment scale hydrology should be considered. A distributed flash flood model, coupling kinematic wave overland flow and Green Ampt infiltration, is applied to a small catchment of the Thoré basin and used as a relatively simple (synthetic observations) but didactic application case. It is shown that forward and adjoint sensitivity analysis provide a local but extensive insight on the relation between the assigned model parameters and the simulated hydrological response. Spatially distributed parameter sensitivities can be obtained for a very modest calculation effort (~6 times the computing time of a single model run) and the singular value decomposition (SVD) of the Jacobian matrix provides an interesting perspective for the analysis of the rainfall-runoff relation. For the estimation of model parameters, adjoint-based derivatives were found exceedingly efficient in driving a bound-constrained quasi-Newton algorithm. The reference parameter set is retrieved independently from the optimization initial condition when the very common dimension reduction strategy (i.e. scalar multipliers) is adopted. Furthermore, the sensitivity analysis results suggest that most of the variability in this high-dimensional parameter space can be captured with a few orthogonal directions. A parametrization based on the SVD leading singular vectors was found very promising but should be combined with another regularization strategy in order to prevent overfitting.

  10. Diffusion tensor imaging of the human calf: Variation of inter- and intramuscle-specific diffusion parameters.

    PubMed

    Schlaffke, Lara; Rehmann, Robert; Froeling, Martijn; Kley, Rudolf; Tegenthoff, Martin; Vorgerd, Matthias; Schmidt-Wilcke, Tobias

    2017-10-01

    To investigate to what extent inter- and intramuscular variations of diffusion parameters of human calf muscles can be explained by age, gender, muscle location, and body mass index (BMI) in a specific age group (20-35 years). Whole calf muscles of 18 healthy volunteers were evaluated. Magnetic resonance imaging (MRI) was performed using a 3T scanner and a 16-channel Torso XL coil. Diffusion-weighted images were acquired to perform fiber tractography and diffusion tensor imaging (DTI) analysis for each muscle of both legs. Fiber tractography was used to separate seven lower leg muscles. Associations between DTI parameters and confounds were evaluated. All muscles were additionally separated in seven identical segments along the z-axis to evaluate intramuscular differences in diffusion parameters. Fractional anisotropy (FA) and mean diffusivity (MD) were obtained for each muscle with low standard deviations (SDs) (SDFA : 0.01-0.02; SDMD : 0.07-0.14(10(-3) )). We found significant differences in FA values of the tibialis anterior muscle (AT) and extensor digitorum longus (EDL) muscles between men and women for whole muscle FA (two-sample t-tests; AT: P = 0.0014; EDL: P = 0.0004). We showed significant intramuscular differences in diffusion parameters between adjacent segments in most calf muscles (P < 0.001). Whereas muscle insertions showed higher (SD 0.03-0.06) than muscle bellies (SD 0.01-0.03), no relationships between FA or MD with age or BMI were found. Inter- and intramuscular variations in diffusion parameters of the calf were shown, which are not related to age or BMI in this age group. Differences between muscle belly and insertion should be considered when interpreting datasets not including whole muscles. 3 Technical Efficacy: Stage 1 J. Magn. Reson. Imaging 2017;46:1137-1148. © 2017 International Society for Magnetic Resonance in Medicine.

  11. Experimental Study of Axial Plasma Parameter Variations in the Cylindrical Magnetron Discharge

    NASA Astrophysics Data System (ADS)

    Kudrna, P.; Holik, M.; Bilyk, O.; Porokhova, I. A.; Golubovskii, Yu. B.; Tichy, M.; Behnke, J. F.

    2003-06-01

    In the cylindrical magnetron the electric field is applied in radial direction and the magnetic field in axial direction. In this paper we present a study of the variations of plasma parameters in both the axial as well as in radial directions in the novel construction of cylindrical magnetron developed in the University of Greifswald, FRG. Six evenly distributed coils create the axial magnetic field. The homogeneity of the magnetic field ±0.2 % has been achieved over the whole discharge vessel length 300 mm (vessel diameter 58 mm). The system is equipped with three cylindrical Langmuir probes movable in radial direction, placed in ports located in between each couple of coils in distance 60 mm from each other. In order to measure the axial variations of the discharge current, one half of the cathode length is segmented into 14 segments, i.e. one segment has a length of about 10 mm. This enables the measurement of the axial variations of the discharge current. We present measurements of the axial distribution of the discharge current at different magnetic fields. We also demonstrate measurements of the axial and radial variations of the plasma density.

  12. Simulations of a epidemic model with parameters variation analysis for the dengue fever

    NASA Astrophysics Data System (ADS)

    Jardim, C. L. T. F.; Prates, D. B.; Silva, J. M.; Ferreira, L. A. F.; Kritz, M. V.

    2015-09-01

    Mathematical models can be widely found in the literature for describing and analyzing epidemics. The models that use differential equations to represent mathematically such description are specially sensible to parameters involved in the modelling. In this work, an already developed model, called SIR, is analyzed when applied to a scenario of a dengue fever epidemic. Such choice is powered by the existence of useful tools presented by a variation of this original model, which allow an inclusion of different aspects of the dengue fever disease, as its seasonal characteristics, the presence of more than one strain of the vector and of the biological factor of cross-immunity. The analysis and results interpretation are performed through numerical solutions of the model in question, and a special attention is given to the different solutions generated by the use of different values for the parameters present in this model. Slight variations are performed either dynamically or statically in those parameters, mimicking hypothesized changes in the biological scenario of this simulation and providing a source of evaluation of how those changes would affect the outcomes of the epidemic in a population.

  13. Long-period variations of wind parameters in the mesopause region and the solar cycle dependence

    NASA Technical Reports Server (NTRS)

    Greisiger, K. M.; Schminder, R.; Kuerschner, D.

    1987-01-01

    The solar cycle dependence of wind parameters below 100 km on the basis of long term continuous ionospheric drift measurements in the low frequency range is discussed. For the meridional prevailing wind no significant variation was found. The same comparison as for winter was done for summer where the previous investigations gave no correlation. Now the radar meteor wind measurement values, too, showed a significant negative correlation of the zonal prevailing wind with solar activity for the years 1976 to 1983. The ionospheric drift measurement results of Collm have the same tendency but a larger dispersion due to the lower accuracy of the harmonic analysis because of the shorter daily measuring interval in summer. Continuous wind observations in the upper mesopause region over more than 20 years revealed distinct long term variations, the origin of which cannot be explained with the present knowledge.

  14. Variations of Strength, Resistivity and Thermal Parameters of Clay after High Temperature Treatment

    NASA Astrophysics Data System (ADS)

    Sun, Qiang; Zhang, Weiqiang; Zhang, Yuliang; Yang, Lining

    2016-12-01

    This paper reports the variations of strength, resistivity and thermal parameters of clay after high-temperature heating. Experiments were carried out to test the physical properties of clay heated at temperatures ranging from room temperature to 800°C in a furnace. The experiment results show that below 400°C the uniaxial compressive strength and resistivity change very little. However, above 400°C, both increase rapidly. At a temperature under 400°C, the thermal conductivity and specific heat capacity decrease significantly. The thermogravimetric analysis (TG) and differential scanning calorimeter (DSC) test indicate that a series of changes occur in kaolinite at temperatures from 400 to 600°C, which is considered the primary cause of the variation of physical and mechanical properties of clay under high temperatures.

  15. Spectroscopic monitoring of SS 433: A search for long-term variations of kinematic model parameters

    NASA Astrophysics Data System (ADS)

    Davydov, V. V.; Esipov, V. F.; Cherepashchuk, A. M.

    2008-06-01

    Between 1994 and 2006, we obtained uniform spectroscopic observations of SS 433 in the region of H α. We determined Doppler shifts of the moving emission lines, H α + and H α -, and studied various irregularities in the profiles for the moving emission lines. The total number of Doppler shifts measured in these 13 years is 488 for H α - and 389 for H α +. We have also used published data to study possible long-term variations of the SS 433 system, based on 755 Doppler shifts for H α - and 630 for H α + obtained over 28 years. We have derived improved kinematic model parameters for the precessing relativistic jets of S S 433 using five-and eight-parameter models. On average, the precession period was stable during the 28 years of observations (60 precession cycles), at 162.250d ± 0.003d. Phase jumps of the precession period and random variations of its length with amplitudes of ≈6% and ≈1%, respectively, were observed, but no secular changes in the precession period were detected. The nutation period, P nut = 6.2876d ± 0.00035d, and its phase were stable during 28 years (more than 1600 nutation cycles). We find no secular variations of the nutation cycle. The ejection speed of the relativistic jets, v, was, on average, constant during the 28 years, β = v/c = 0.2561 ± 0.0157. No secular variation of β is detected. In general, S S 433 demonstrates remarkably stable long-term characteristics of its precession and nutation, as well as of the central “engine” near the relativistic object that collimates the plasma in the jets and accelerates it to v = 0.2561 c. Our results support a model with a “slaved” accretion disk in S S 433, which follows the precession of the optical star’s rotation axis.

  16. Diurnal and seasonal variation of coastal carbonate system parameters in South Florida and the Caribbean

    NASA Astrophysics Data System (ADS)

    Yates, K.; Smiley, N. A.

    2010-12-01

    Assessing the impact of climate change and ocean acidification on coastal and marine ecosystems requires accurate characterization of its chemical and physical effects on the carbonate system in seawater. Very few data exist that characterize natural variations in coastal carbonate chemistry, limiting the development and validation of coastal climate change and ocean acidification models. We measured carbonate system parameters over diurnal cycles in shallow, coastal ecosystems of Florida Bay, Tampa Bay, Biscayne National Park, Puerto Rico, the U.S. Virgin Islands, Tobago, and the Bahamas. Salinity, temperature, and dissolved oxygen were measured continuously, and seawater samples were collected every 4 hours throughout multiple 24-hour time periods. Total alkalinity and pH were measured using spectrophotometric techniques, dissolved inorganic carbon was measured via carbon coulometry, and remaining carbonate system parameters were calculated using CO2SYS. Seasonal variability was either determined from existing data sets, or modeled using salinity and temperature data collected from CTDs deployed at study locations or long-term monitoring sites. Results indicate that all carbonate system parameters showed distinct variation over diurnal timescales primarily due to productivity, respiration, and precipitation and dissolution of calcium carbonate. The average range of diurnal variation was up to 102% of the seasonal range of variability in carbonate chemistry. Our data indicate that use of seasonal data sets without careful consideration of diurnal variability (or vice versa) may impart significant error in calculation of annual carbon budgets and modeling carbon cycling in coastal ecosystems. Implications for modeling long-term impacts of ocean acidification in coastal ecosystems will be discussed.

  17. A Sensitivity Test of the Ozone Solar Cycle Response with Respect to Chemical Kinetics and Model Parameters

    NASA Astrophysics Data System (ADS)

    Zhang, Q.; Li, K.; Li, C.; Liang, M.; Yung, Y. L.

    2012-12-01

    Previous studies have shown that the observed O3 solar cycle (SC) responses in upper and middle stratosphere are very different from those predicted by models. It is argued whether the differences are within the uncertainties of measurements and chemical kinetic rates. To answer this question, a simple one-dimensional (1-D) Caltech/JPL photochemical model is employed to study the discrepancies between observed and model O3 solar cycle responses. A simplified list of reactions is developed including Chapman, HOx, NOx and ClOx chemistry. We perform sensitivity tests on a significant portion of the kinetic rates to investigate whether the observed O3 SC response can be modeled using standard chemistry. Other model parameters such as eddy diffusivity are included in the tests. Finally, the optimal estimation method (OEM) is employed to derive a set of kinetic rate coefficients and model parameters that would minimize the difference between the observed and the model SC responses in O3. The outcome of retrieval represents the best-fit O3 response under the constraints of standard chemistry and measurement uncertainties.

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

    PubMed

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

    2016-02-01

    This study determines and compares the intrinsic kinetic parameters (Ks and Ki) of selected Thermococcus onnurineus NA1 strains (wild-type (WT), and mutants MC01, MC02, and WTC156T) using the substrate inhibition model. Ks and Ki values were used to find the optimum dissolved CO (CL) conditions inside the reactor. The results showed that in terms of the maximum specific CO consumption rates (qCO(max)) of WT, MC01, MC02, and WTC156T the optimum activities can be achieved by maintaining the CL levels at 0.56mM, 0.52mM, 0.58mM, and 0.75mM, respectively. The qCO(max) value of WTC156T at 0.75mM was found to be 1.5-fold higher than for the WT strain, confirming its superiority. Kinetic modeling was then used to predict the conditions required to maintain the optimum CL levels and high cell concentrations in the reactor, based on the kinetic parameters of the WTC156T strain. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. FmRα analysis: Rapid and direct estimation of relaxation and kinetic parameters from dynamic nuclear polarization time courses.

    PubMed

    Pagès, Guilhem; Kuchel, Philip W

    2015-06-01

    To introduce a direct method for estimating relaxation and kinetic parameter values from rapid dissolution dynamic nuclear polarization (RD-DNP) NMR time courses. The analysis relied on a kinetic model that is often used to analyze data in these studies-a unidirectional (bio)chemical reaction with rate constant k1 , coupled to longitudinal relaxation of the magnetization of substrate and product that is characterized by the time constant T1 . The latter value was estimated from the width of the product curve (peak) at the height α relative to the maximum height. We showed α ∼ 0.8 under most conditions, so we measured the interval between the falling and rising parts of the curve at the relative height 0.8. We called this the "fall-minus-rise time at height α," or FmRα , and found that FmR0.8 ∼ T1 . The ratio β = (product signal/substrate signal) when the product is maximal was shown to be equal to k1 T1 . Therefore, k1 = β/FmR0.8 . FmRα analysis was demonstrated with (13) C NMR RD-DNP data recorded from hemolysates and from previously published data. FmRα analysis enables immediate estimates of kinetic and relaxation parameters from (13) C NMR RD-DNP data. The values can be used as initial estimates in more extensive computer-based data-regression analysis. © 2014 Wiley Periodicals, Inc.

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

    PubMed

    Remane, Y; Leopold, C S

    2006-01-01

    The time of erythema onset may be used as a response parameter for quantification of the cutaneous erythema response induced by methyl nicotinate. The vehicles light mineral oil (LMO; test) and medium chain triglycerides (MCT; standard) were compared with regard to the pharmacodynamic response. Moreover, the influence of penetration enhancers on the time of erythema onset was investigated under zero order penetration kinetics. The enhancers dimethyl sulfoxide, diethylene glycol monoethyl ether and three different glycerides in different concentrations were added to MCT as a standard vehicle. All preparations were applied to the forearms of volunteers under infinite dose conditions at different thermodynamic drug activity levels (0.2-3.2% of the saturation level) and different drug concentrations (0.051-0.816%), respectively. Different penetration kinetics do not influence data of erythema onset, as these data are comparable to those obtained under finite dose conditions (first order penetration kinetics). With regard to the penetration enhancers, a significantly enhanced penetration of methyl nicotinate could be observed only for diethylene glycol monoethyl ether and dimethyl sulfoxide. However, no significant difference between light mineral oil and MCT could be found with regard to penetration enhancement. The time of erythema onset is an easy and efficient parameter for quantification of the pharmacodynamic response caused by nicotinates.

  1. Measurement of kinetic parameters relevant to the operation of an electron-beam initiated atomic iodine laser

    SciTech Connect

    Ramirez, J.E.; Bera, R.K.; Hanrahan, R.J.

    1985-04-01

    Parameters relevant to the operation of an electron-beam initiated atomic iodine laser, which would lase on the transition 5 /sup 2/P/sub 1//sub ///sub 2/ (I*)..-->..5 /sup 2/P/sub 3//sub ///sub 2/ (I), have been measured by pulse radiolysis. Kinetic data for the parent compound quenching of I* were obtained by variation of the parent compound pressure at constant buffer gas pressure and observing I* decay rates versus time. Deactivation rates for perfluoroalkyl iodides were found to be much lower than for the corresponding alkyl iodides. Values obtained (in cm/sup 3/ molec/sup -1/ s/sup -1/) are as follows: CH/sub 3/I, (2.0 +- 0.1) x 10/sup -13/; C/sub 2/H/sub 5/I, (5.0 +- 0.3) x 10/sup -13/; CF/sub 3/I, (8.8 +- 0.3) x 10/sup -16/; C/sub 2/F/sub 5/I, (9.7 +- 1.0) x 10/sup -15/; n-C/sub 3/F/sub 7/I, (2.5 +- 0.2) x 10/sup -15/; i-C/sub 3/F/sub 7/I, (1.7 +- 0.1) x 10/sup -15/; n-C/sub 4/F/sub 9/I, (1.8 +- 0.1) x 10/sup -14/. The extent of population inversion was investigated by measuring initial excited state and ground state atomic iodine concentrations, which gives the branching ratio (I*)/(I). Values obtained are as follows: CH/sub 3/I, 2.7; CF/sub 3/I, 3.8; C/sub 2/F/sub 5/I, 2.7; i-C/sub 3/F/sub 7/I, 3.2; n-C/sub 4/F/sub 9/I, 1.8. Comparing both branching ratios and lifetimes, it is seen that CF/sub 3/I is the most promising candidate for an electron beam initiated atomic iodine laser.

  2. A multiscale variational approach to the kinetics of viscous classical liquids: The coarse-grained mean field approximation

    SciTech Connect

    Sereda, Yuriy V.; Ortoleva, Peter J.

    2014-04-07

    A closed kinetic equation for the single-particle density of a viscous simple liquid is derived using a variational method for the Liouville equation and a coarse-grained mean-field (CGMF) ansatz. The CGMF ansatz is based on the notion that during the characteristic time of deformation a given particle interacts with many others so that it experiences an average interaction. A trial function for the N-particle probability density is constructed using a multiscale perturbation method and the CGMF ansatz is applied to it. The multiscale perturbation scheme is based on the ratio of the average nearest-neighbor atom distance to the total size of the assembly. A constraint on the initial condition is discovered which guarantees that the kinetic equation is mass-conserving and closed in the single-particle density. The kinetic equation has much of the character of the Vlasov equation except that true viscous, and not Landau, damping is accounted for. The theory captures condensation kinetics and takes much of the character of the Gross-Pitaevskii equation in the weak-gradient short-range force limit.

  3. Variation of photon interaction parameters with energy for some Cu-Pb alloys

    SciTech Connect

    Singh, Tejbir Kaur, Sarpreet; Kaur, Parminder; Kaur, Harvinder; Singh, Parjit S.

    2015-08-28

    Various photon interaction parameters (mass attenuation coefficients, effective atomic numbers and effective electron numbers) have been computed for different compositions of Cu-Pb alloys in the wide energy regime of 1 keV to 100 GeV. The mass attenuation coefficients have been computed using mixture rule with the help of WinXCom (mass attenuation coefficient database for elements). The variation of mass attenuation coefficients, effective atomic numbers and electron density has been analysed and discussed in terms of dominance of different photon interaction processes viz. Compton scattering, photoelectric effect and pair production.

  4. Dry mechanochemical synthesis of hydroxyapatites from DCPD and CaO: influence of instrumental parameters on the reaction kinetics.

    PubMed

    Mochales, Carolina; El Briak-BenAbdeslam, Hassane; Ginebra, Maria Pau; Terol, Alain; Planell, Josep A; Boudeville, Philippe

    2004-01-01

    Mechanochemistry is a possible route to synthesize calcium deficient hydroxyapatite (CDHA) with an expected molar calcium-to-phosphate (Ca/P) ratio +/-0.01. To optimize the experimental conditions of CDHA preparation from dicalcium phosphate dihydrate (DCPD) and calcium oxide by dry mechanosynthesis reaction, we performed the kinetic study varying some experimental parameters. This kinetic study was carried out with two different planetary ball mills (Retsch or Fritsch Instuments). Results obtained with the two mills led to the same conclusions although the values of the rate constants of DCPD disappearance and times for complete reaction were very different. Certainly, the origin of these differences was from the mills used, thus we investigated the influence of instrumental parameters such as the mass and the surface area of the balls or the rotation velocity on the mechanochemical reaction kinetics of DCPD with CaO. Results show that the DCPD reaction rate constant and the inverse of the time for complete disappearance of CaO both vary linearly with (i) the square of the rotation velocity, (ii) the square of eccentricity of the vial on the rotating disc and (iii) the product of the mass by the surface area of the balls. These observations comply with theoretical models developed for mechanical alloying. The consideration of these four parameters allows the transposition of experimental conditions from one mill to another or the comparison between results obtained with different planetary ball mills. These instrumental parameters have to be well described in papers concerning mechanochemistry or when grinding is an important stage in a process.

  5. Anthropometric Indices Associated with Variation in Cardiovascular Parameters among Primary School Pupils in Ile-Ife.

    PubMed

    Abiodun, Adedeji G; Egwu, Michael O; Adedoyin, Rufus A

    2011-01-01

    Purpose. This study investigated the anthropometric indices associated with variations in cardiovascular parameters among primary school pupils in Ile-Ife. Method. One thousand and twenty-six pupils (age range 6-14 years, mean age 10.12 years) from ten schools were recruited with parents' informed consent. Anthropometric (Height (Ht), Weight (Wt), Abdominal Circumference (AC)) and cardiovascular (Systolic Blood Pressure (SBP), Diastolic Blood Pressure (DBP), Heart Rate (HR)) parameters were measured using standard instruments and procedures. Blood pressure (BP) was measured after ten minutes of quiet sitting. Body Mass Index (BMI), Rate Pressure Product (RPP) and Pulse Pressure (PP) were estimated. Results. Age, Ht, Wt, BMI, and AC correlated significantly (P < .01) with BP and PP. AC and BMI were predictors of BP, HR, RPP, and PP. Conclusion. Significant correlations exist between age, Ht, Wt, BMI, AC, and BP with weight being a more viable predictor of SBP and age a more viable predictor of DBP.

  6. Resilience of a beef cow-calf farming system to variations in demographic parameters.

    PubMed

    Viet, A-F; Ezanno, P; Petit, E; Devun, J; Vermesse, R; Fourichon, C

    2013-01-01

    Beef cow-calf farming systems are assumed to be resilient to biological disturbances that induce variations in herd demography; however, this hypothesis has not been fully investigated to date. Modeling is an interesting approach to study farming system resilience and to evaluate the impact of biological disturbances, taking into account interactions between system components, including biological variability and management practices. Our objective was to evaluate the resilience of beef cow-calf farming systems to variations in fertility and mortality using a modeling approach. We studied the direct effect of variations in demographic parameters on production objectives without explicitly representing the causes of the variations. We developed a stochastic model to represent the population dynamics of a beef cow-calf herd with breeding by natural service and biological processes occurring at the animal level. The model was validated by comparing observed and simulated distributions of the calving-to-calving interval, which were found to be consistent. Resistance was evaluated by the proportion of simulations where the objective in terms of number of weaned calves is reached even when there is a disturbance that persists for 10 yr. Reversibility was evaluated by the time needed to return to the predisturbance production level. Beef cow-calf farming systems did not appear to be resistant to variations in mortality and infertility rates except when increases in the infertility rates were low (0.02 for cows and 0.03 for heifers). Critical situations, consequently, may emerge with regard to farm production if management practices are not adapted. Reversibility was observed for disturbances that persist for up to 5 yr. However, the system needed 2 to 3 yr to recover its predisturbance production level and up to 4 yr after an increase in cow infertility of 0.12.

  7. Long-term variations of the solar wind parameters and their geoeffciency

    NASA Astrophysics Data System (ADS)

    Makarova, Liudmila; Shirochkov, Alexander

    One of the contradictory problems of the contemporary state of the solar-terrestrial physics is impact of the solar activity of different kinds on the near-Earth space. For a long time solar activity having cyclical variations of sunspots and solar flares were considered as a main factor in the study of the solar - terrestrial links. State of the solar wind, which depends on the processes occurring in the Sun, is an important indicator of the solar - terrestrial links. Right now geoeffeciency of the solar wind influence on the processes in the near-Earth space is commonly accepted fact. In this paper we study the long-term variations in the solar wind parameters using satellite data from 1966 to 2013. So, sporadic variability associated with casual short-term disturbances in the solar wind were excluded from consideration. We analyzed annual values of such parameters as the solar wind interplanetary field full magnetic vector (B), speed (V) and density (n), as well as its dynamic pressure (nV2). It was confirmed that in the long term variations of the total magnetic field vector B coincides with cyclic variability of the number of sunspots. The long-term variations in the solar wind velocity clearly demonstrated maximum at decreasing phase of solar activity cycle. Solar wind density values were minimal at the maxima of solar activity cycles and they increased in the decay phase of the cyclic activity. These results were mentioned in the previous literature. The new fact was that the density of the solar wind has increased from cycle to cycle from 1966 to 1993, and it began to decrease values after 1996. Dynamic pressure of the solar wind from 1966 to 1993 increased in proportion to the density of the solar wind. It was also found that since 1998 the dynamic pressure is determined of the total magnetic field vector IMF and the solar wind velocity. Analysis of long-term variations of ionospheric parameters at F region showed a high correlation with the values of

  8. Estimation of kinetic parameters for enzyme-inhibition reaction models using direct time-dependent equations for reactant concentrations.

    PubMed

    Goličnik, Marko

    2012-03-01

    To facilitate the determination of a reaction type and its kinetics constants for reversible inhibitors of Michaelis-Menten-type enzymes using progress-curve analysis, I present here an explicit equation for direct curve fitting to full time-course data of inhibited enzyme-catalyzed reactions. This algebraic expression involves certain elementary functions where their values are readily available using any standard nonlinear regression program. Hence this allows easy analysis of experimentally observed kinetics without any data conversion prior to fitting. Its implementation gives correct parameter estimates that are in very good agreement with results obtained using both the numerically integrated Michaelis-Menten rate equation or its exact closed-form solution which is expressed in terms of the Lambert W function.

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

    SciTech Connect

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

    1991-03-01

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

  10. Variational estimation of process parameters in a simplified atmospheric general circulation model

    NASA Astrophysics Data System (ADS)

    Lv, Guokun; Koehl, Armin; Stammer, Detlef

    2016-04-01

    Parameterizations are used to simulate effects of unresolved sub-grid-scale processes in current state-of-the-art climate model. The values of the process parameters, which determine the model's climatology, are usually manually adjusted to reduce the difference of model mean state to the observed climatology. This process requires detailed knowledge of the model and its parameterizations. In this work, a variational method was used to estimate process parameters in the Planet Simulator (PlaSim). The adjoint code was generated using automatic differentiation of the source code. Some hydrological processes were switched off to remove the influence of zero-order discontinuities. In addition, the nonlinearity of the model limits the feasible assimilation window to about 1day, which is too short to tune the model's climatology. To extend the feasible assimilation window, nudging terms for all state variables were added to the model's equations, which essentially suppress all unstable directions. In identical twin experiments, we found that the feasible assimilation window could be extended to over 1-year and accurate parameters could be retrieved. Although the nudging terms transform to a damping of the adjoint variables and therefore tend to erases the information of the data over time, assimilating climatological information is shown to provide sufficient information on the parameters. Moreover, the mechanism of this regularization is discussed.

  11. Enzymatic kinetic parameters for polyfluorinated alkyl phosphate hydrolysis by alkaline phosphatase.

    PubMed

    Jackson, Derek A; Mabury, Scott A

    2012-09-01

    The hydrolysis kinetics of three polyfluorinated alkyl phosphate monoesters (monoPAPs), differing in fluorinated chain length, were measured using bovine intestinal alkaline phosphatase to catalyze the reaction. Kinetic values were also measured for analogous hydrogenated phosphate monoesters to elucidate the effects of the fluorinated chain on the rate of enzymatic hydrolysis. Michaelis constants (K(m)) were obtained by a competition kinetics technique in the presence of p-nitrophenyl phosphate (PNPP) using UV-vis spectroscopy. Compared with K(m) (PNPP), Michaelis constants for monoPAPs ranged from 0.9 to 2.1 compared with hydrogenated phosphates, which ranged from 4.0 to 13.0. Apparent bimolecular rate constants (k(cat)/K(m)) were determined by monitoring rates of product alcohol formation at low substrate concentrations using gas chromatography-mass spectrometry. The experimental values for k(cat)/K(m) averaged as 1.1 × 10(7) M(-1) s(-1) for monoPAPs compared with 3.8 × 10(5) M(-1) s(-1) for hexyl phosphate. This suggests that the electron-withdrawing nature of the fluorinated chain enhanced the alcohol leaving group ability. The results were used in a simple model to suggest that monoPAPs in a typical mammalian digestive tract would hydrolyze in approximately 100 s, supporting a previous study that showed its absence after a dosing study in rats.

  12. Quantifying the performance of in vivo portal dosimetry in detecting four types of treatment parameter variations

    SciTech Connect

    Bojechko, C.; Ford, E. C.

    2015-12-15

    Purpose: To quantify the ability of electronic portal imaging device (EPID) dosimetry used during treatment (in vivo) in detecting variations that can occur in the course of patient treatment. Methods: Images of transmitted radiation from in vivo EPID measurements were converted to a 2D planar dose at isocenter and compared to the treatment planning dose using a prototype software system. Using the treatment planning system (TPS), four different types of variability were modeled: overall dose scaling, shifting the positions of the multileaf collimator (MLC) leaves, shifting of the patient position, and changes in the patient body contour. The gamma pass rate was calculated for the modified and unmodified plans and used to construct a receiver operator characteristic (ROC) curve to assess the detectability of the different parameter variations. The detectability is given by the area under the ROC curve (AUC). The TPS was also used to calculate the impact of the variations on the target dose–volume histogram. Results: Nine intensity modulation radiation therapy plans were measured for four different anatomical sites consisting of 70 separate fields. Results show that in vivo EPID dosimetry was most sensitive to variations in the machine output, AUC = 0.70 − 0.94, changes in patient body habitus, AUC = 0.67 − 0.88, and systematic shifts in the MLC bank positions, AUC = 0.59 − 0.82. These deviations are expected to have a relatively small clinical impact [planning target volume (PTV) D{sub 99} change <7%]. Larger variations have even higher detectability. Displacements in the patient’s position and random variations in MLC leaf positions were not readily detectable, AUC < 0.64. The D{sub 99} of the PTV changed by up to 57% for the patient position shifts considered here. Conclusions: In vivo EPID dosimetry is able to detect relatively small variations in overall dose, systematic shifts of the MLC’s, and changes in the patient habitus. Shifts in the

  13. Covariations between Shell-Growth Parameters and the Control of the Ranges of Variation of Functionally Relevant Shell-Shape Parameters in Bivalves: A Theoretical Approach

    PubMed Central

    Béguinot, Jean

    2014-01-01

    Major traits of shell shape in bivalves may alternatively be described in terms of (i) functionally relevant parameters, assumed to play a significant role in the adaptation of bivalves molluscs to their environments (such as the shell-outline elongation E, ventral convexity K, and dissymmetry D), or (ii) growth-based parameters, directly controlled by the animal. Due to the geometrical linkage between functionally-relevant and growth-based parameters, adaptive constraints that may either widen or narrow the respective ranges of variations of the functional parameters lead to the onset of specific covariations (either positive or negative) between the growth-based parameters. This has practical interest since adaptive constraints are often difficult to identify directly, while they can be conveniently inferred indirectly via the easily recorded patterns of covariances between growth-based parameters. Hereafter, I provide the theoretical background of this tool, including (1) establishing the geometrical relationships between growth-based and functionally relevant parameters and (2) then specifying the correspondences between the different patterns of adaptive constraints, widening or narrowing the variations of the functional parameters and the corresponding patterns of covariations between the growth-based parameters. Illustrative examples of the practical use of this tool are provided, considering both interspecific and intraspecific variations within marine and fresh-water clams. PMID:27398400

  14. Variations of the ionospheric parameters obtained from ground based measurements of ULF magnetic noise

    NASA Astrophysics Data System (ADS)

    Ermakova, Elena; Kotik, Dmitry; Bösinger, Tilmann

    2016-07-01

    The dynamics of the amplitude spectra and polarization parameter (epsilon)[1] of magnetic ULF noise were investigated during different seasons and high geomagnetic activity time using the data on the horizontal magnetic components monitoring at mid-latitude (New Life, Russia, 56 N, 46 E) and low-latitude stations (Crete, 35.15 N, 25.20 E). It was found that abrupt changes in the spectral polarization parameters can be linked as with variation of height of maximum and the electron density of the F-layer, and with a change in ionospheric parameters profiles at lower altitudes, for example, with the appearance of sporadic Es-layers and intermediate layers, located between the E and F-layers. It was detected the peculiarities in the daily dynamics of the epsilon parameter at low latitudes: a) the appearance in some cases more complicated than in the mid-latitudes, epsilon structure of the spectrum associated with the presence of two different values of the boundary frequency fB [2]; b) a decreasing of fB near local midnight observed in 70% of cases; c) observation of typical for dark time epsilon spectra after sunrise in the winter season. The numerical calculations of epsilon parameter were made using the IRI-2012 model with setting the models of sporadic and intermediate layers. The results revealed the dependence of the polarization spectra of the intensity and height of such thin layers. The specific changes in the electron density at altitudes of 80-350 km during the recovery phase of strong magnetic storms were defined basing on a comparative analysis of the experimental spectra and the results of the numerical calculations. References. 1. E. N. Ermakova, D. S. Kotik, A. V.Ryabov, A. V.Pershin, T. B.osinger, and Q. Zhou, Studying the variation of the broadband spectral maximum parameters in the natural ULF fields, Radiophysics and Quantum Electronics, Vol. 55, No. 10-11, March, 2013 p. 605-615. 2. T. Bosinger, A. G. Demekhov, E. N. Ermakova, C. Haldoupis and Q

  15. Controls on ostracod valve geochemistry, Part 1: Variations of environmental parameters in ostracod (micro-)habitats

    NASA Astrophysics Data System (ADS)

    Decrouy, Laurent; Vennemann, Torsten Walter; Ariztegui, Daniel

    2011-11-01

    The variations of environmental conditions ( T°, pH, δ 13C DIC, [DIC], δ 18O, Mg/Ca, and Sr/Ca) of ostracod habitats were examined to determine the controls of environmental parameters on the chemical and isotopic composition of ostracod valves. Results of a one-year monitoring of environmental parameters at five sites, with depths of between 2 and 70 m, in Lake Geneva indicate that in littoral to sub-littoral zones (2, 5, and 13 m), the chemical composition of bottom water varies seasonally in concert with changes in temperature and photosynthetic activity. An increase of temperature and photosynthetic activity leads to an increase in δ 13C values of DIC and to precipitation of authigenic calcite, which results in a concomitant increase of Mg/Ca and Sr/Ca ratios of water. In deeper sites (33 and 70 m), the composition of bottom water remains constant throughout the year and isotopic values and trace element contents are similar to those of deep water within the lake. The chemical composition of interstitial pore water also does not reflect seasonal variations but is controlled by calcite dissolution, aerobic respiration, anaerobic respiration with reduction of sulphate and/or nitrate, and methanogenesis that may occur in the sediment pores. Relative influence of each of these factors on the pore water geochemistry depends on sediment thickness and texture, oxygen content in bottom as well as pore water. Variations of chemical compositions of the ostracod valves of this study vary according to the specific ecology of the ostracod species analysed, that is its life-cycle and its (micro-)habitat. Littoral species have compositions that are related to the seasonal variations of temperature, δ 13C values of DIC, and of Mg/Ca and Sr/Ca ratios of water. In contrast, the compositions of profundal species are largely controlled by variations of pore fluids along sediment depth profiles according to the specific depth preference of the species. The control on the

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

    NASA Astrophysics Data System (ADS)

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

    2014-03-01

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

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

    PubMed

    Kosík, Ondřej; Garajová, Soňa; 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. 2010 Elsevier Ltd. All rights reserved.

  18. Cloud parameters estimated by variational analysis of visible and infrared measurements from ATSR-2

    NASA Astrophysics Data System (ADS)

    Watts, P.; Poulsen, C.

    2003-04-01

    The ATSR-2 instrument(a radiometer on board the ESA/ERS-2 satellite) produces images of the Earth at wavelengths(0.55, 0.67, 0.87, 1.6, 3.7, 10.9 and 12 um). ATSR-2 was launched in 1995 and was succeeded by AATSR on board the ENVISAT satellite in March 2002. Information on cloud properties from ATSR-2 radiances originates from the interaction of solar and emitted radiation with the cloud and in an ideal situation each channel of ATSR-2 would be sensitive to just one cloud property. In reality each measurement is the result of many complex interactions within the cloud and between the cloud, the atmosphere and the surface. In general however, cloud effects at the wavelengths measured (which are in atmospheric 'windows') are stronger or at least discernable from the other effects. By combining the information available we are able resolve the most important cloud parameters(i.e cloud hase, top height, effective radius cloud fraction and optical depth) in most situations. We use a Variational Analysis approach to the retrieval of parameters enabling us to extract information from all channels imultaneously. This method also allows us to characterize the error in each parameter in each individual observation (or 'pixel') under the assumption that the cloud observed is consistent with the modeled cloud (i.e. easonably plane-parallel in nature) and to identify where the cloud model is not appropriate. Climatological cloud data is currently being produced as part of the Cloudmap2 Framework5 program for the European area and as part of GRAPE project for the entire globe(see poster by Sam Dean/Steve Marsh in the same session) for the length of the ATSR-2 mission. This paper will explain the methodology behind the variational algorithm as well as show the validation of cases using aircraft data and ground based radar. Some first results from the climatology will be presented.

  19. Spatial and Temporal Variation of Physico-chemical Parameters in the Merbok Estuary, Kedah, Malaysia

    PubMed Central

    Fatema, Kaniz; Wan Maznah, WO; Isa, Mansor Mat

    2014-01-01

    In this study, factor analysis (FA) was applied to extract the hidden factors responsible for water quality variations during both wet and dry seasons. Water samples were collected from six sampling stations (St. 1 Lalang River, St. 2 Semeling River, St. 3 Jagung River, St. 4 Teluk Wang River, St. 5 Gelam River and St. 6 Derhaka River) in the Merbok estuary, Malaysia from January to December 2011; the samples were further analysed in the laboratory. Correlation analysis of the data sets showed strong correlations between the parameters. Nutrients such as nitrate (NO3−), nitrite (NO2−), ammonia (NH3) and phosphate (PO43−) were determined to be critical indicators of water quality throughout the year. Influential water quality parameters during the wet season were conductivity, salinity, biochemical oxygen demand (BOD), dissolved oxygen (DO) and chlorophyll a (Chla), whereas total suspended solid (TSS) and pH were critical water quality indicators during the dry season. The Kruskal-Wallis H test showed that water quality parameters were significantly different among the sampling months and stations (p<0.05), and Mann-Whitney U tests further revealed that the significantly different parameters were temperature, pH, DO, TSS, NO2− and BOD (p<0.01), whereas salinity, conductivity, NO3−, PO43−, NH3 and Chla were not significantly different (p>0.05). Water quality parameters in the estuary varied on both temporal and spatial scales and these results may serve as baseline information for estuary management, specifically for the Merbok estuary. PMID:27073596

  20. Prediction of microbial growth rate versus biomass yield by a metabolic network with kinetic parameters.

    PubMed

    Adadi, Roi; Volkmer, Benjamin; Milo, Ron; Heinemann, Matthias; Shlomi, Tomer

    2012-01-01

    Identifying the factors that determine microbial growth rate under various environmental and genetic conditions is a major challenge of systems biology. While current genome-scale metabolic modeling approaches enable us to successfully predict a variety of metabolic phenotypes, including maximal biomass yield, the prediction of actual growth rate is a long standing goal. This gap stems from strictly relying on data regarding reaction stoichiometry and directionality, without accounting for enzyme kinetic considerations. Here we present a novel metabolic network-based approach, MetabOlic Modeling with ENzyme kineTics (MOMENT), which predicts metabolic flux rate and growth rate by utilizing prior data on enzyme turnover rates and enzyme molecular weights, without requiring measurements of nutrient uptake rates. The method is based on an identified design principle of metabolism in which enzymes catalyzing high flux reactions across different media tend to be more efficient in terms of having higher turnover numbers. Extending upon previous attempts to utilize kinetic data in genome-scale metabolic modeling, our approach takes into account the requirement for specific enzyme concentrations for catalyzing predicted metabolic flux rates, considering isozymes, protein complexes, and multi-functional enzymes. MOMENT is shown to significantly improve the prediction accuracy of various metabolic phenotypes in E. coli, including intracellular flux rates and changes in gene expression levels under different growth rates. Most importantly, MOMENT is shown to predict growth rates of E. coli under a diverse set of media that are correlated with experimental measurements, markedly improving upon existing state-of-the art stoichiometric modeling approaches. These results support the view that a physiological bound on cellular enzyme concentrations is a key factor that determines microbial growth rate.

  1. Using the computerized glow curve deconvolution method and the R package tgcd to determination of thermoluminescence kinetic parameters of chilli powder samples by GOK model and OTOR one

    NASA Astrophysics Data System (ADS)

    Sang, Nguyen Duy; Van Hung, Nguyen; Van Hung, Tran; Hien, Nguyen Quoc

    2017-03-01

    The kinetic parameters of thermoluminescence (TL) glow peaks of chilli powder irradiated by gamma rays with the different doses of 0, 4 and 8 kGy have been calculated and estimate by computerized glow curve deconvolution (CGCD) method and the R package tgcd by using the TL glow curve data. The kinetic parameters of TL glow peaks (i.e. activation energies (E), order of kinetics (b), trapping and recombination probability coefficients (R) and frequency factors (s)) are fitted by modeled general-orders of kinetics (GOK) and one trap-one recombination (OTOR). The kinetic parameters of the chilli powder are different toward the difference of the sample time-storage, radiation doses, GOK model and OTOR one. The samples spending the shorter period of storage time have the smaller the kinetic parameters values than the samples spending the longer period of storage. The results obtained as comparing the kinetic parameters values of the three samples show that the value of non-irradiated samples are lowest whereas the 4 kGy irradiated-samples' value are greater than the 8 kGy irradiated-samples' one time.

  2. Influence of donor substrate on kinetic parameters of thiamine diphosphate binding to transketolase.

    PubMed

    Ospanov, R V; Kochetov, G A; Kurganov, B I

    2007-01-01

    The two-step mechanism of interaction of thiamine diphosphate (ThDP) with transketolase (TK) has been studied: TK + ThDP <--> TK...ThDP <--> TK*-ThDP. The scheme involves the formation of inactive intermediate complex TK...ThDP followed by its transformation into catalytically active holoenzyme, TK*-ThDP. The dissociation and kinetic constants for individual stages of this process have been determined. The values of forward and backward rate constants change in the presence of the donor substrate hydroxypyruvate. This finally leads to an increase in the overall affinity of the coenzyme to TK.

  3. Effect of malathion on kinetic parameters of acetylcholinesterase (EC 3.1.1.7) in vitro.

    PubMed

    Kamal, M A

    1997-09-01

    Kinetic analysis of the interaction of malathion with camel erythrocyte acetylcholinesterase was investigated in the present study. The Michaelis-Menten constant (K(m)) for the hydrolysis of acetylthiocholine iodide (ASCh) was found to be 53.15 microM and the Vmax was 0.287 mumol/min/mg protein. The Kmapp and Vmaxapp were both decreased by increased malathion concentration. Dixon as well as Lineweaver-Burk plots and their secondary replots indicated that the nature of the inhibition was of the pure uncompetitive type with Ki value estimated as 102.1 ppm. The Kiapp decreased while Vmaxiapp increased by an increased concentration in ASCh.

  4. 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 α-FeCo phase and product bcc-Fe/fcc-Co phases. We hypothesized a non-isothermal kinetic modelf(α)=α(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.

  5. Study of reaction parameters and kinetics of esterification of lauric acid with butanol by immobilized Candida antarctica lipase.

    PubMed

    Shankar, Sini; Agarwal, Madhu; Chaurasia, S P

    2013-12-01

    Esterification of lauric acid with n-butanol, catalyzed by immobilized Candida antarctica lipase (CAL) in aqueous-organic biphasic solvent system was studied. Effects of various reaction parameters on esterification were investigated, such as type and amount of solvent, amount of buffer, pH, temperature, speed of agitation, amount of enzyme, butanol and lauric acid. The most suitable reaction conditions for esterification were observed at 50 degrees C and pH 7.0 using 5000 micromoles of lauric acid, 7000 pmoles of butanol, 0.25 ml phosphate buffer, 1 ml of isooctane as the solvent and 50 mg of immobilized enzyme in the reaction medium at agitation speed of 150 rpm. Maximum esterification of 96.36% was acheived in 600 min of reaction time at n-butanol to lauric acid molar ratio of 1: 0.7. Kinetic study for the esterification of lauric acid with n-butanol using immobilized CAL was carried out and the kinetic constants were estimated by using non-linear regression method. The estimated value of Michaelis kinetic constants for butanol (KmBt) and acid (KmAc) were 451.56 (M) and 4.7 x 10(-7)(M), respectively and the value of dissociation constant (KBt) of the butanol-lipase complex was 9.41 x 10(7)(M). The estimated constants agreed fairly well with literature data.

  6. Solar cycle variations of oscillation mode parameters from LOWL and MARK-I instruments

    NASA Astrophysics Data System (ADS)

    Jimeńez Reyes, S. J.; Corbard, T.; Tomczyk, S.; Pallé, P. L.

    2000-10-01

    The signature of the Solar-Cycle appears clearly in the p-mode parameters (Jiménez-Reyes et al. 1998, Libbrecht & Woodard 1990, and Anguera et al. 1992). At present, the study of the p-mode parameter variation is a very active topic in helioseismology where, thanks to projects like BISON, IRIS, GONG, LOWL and MDI, we are able for the first time to analyse, using heliosismology, how the Sun internal structure and dynamic change over the magnetic cycle. High-quality observations for low degree p-modes have been accumulated for more than twenty years using the solar spectro photometer MARK-I, located and operating at the Observatorio del Teide (Tenerife, Spain). The data-base available have been re-analyzed over a much wider time interval than before. Moreover, the LOWL instrument, a Potassium Magneto-Optical Filter, located at the Manua Loa Observatory, has been measuring for more than six years solar oscillations of intermadiate p-mode degree. The data-base represents one of the best available to analyze the influence of the Solar-Cycle on the mode parameters, mainly because these data, concerning both low and intermadiate degree modes, give us information over an extensive range of the solar depths which may allow us to locate characteristics of the solar dynamo process. Using different data sets and different techniques, we analyse the behaviour of the solar p-modes in an attempt to better understand the origin of the Solar-Cycle.

  7. Variations of immune parameters in terrestrial isopods: a matter of gender, aging and Wolbachia

    NASA Astrophysics Data System (ADS)

    Sicard, Mathieu; Chevalier, Frédéric; de Vlechouver, Mickaël; Bouchon, Didier; Grève, Pierre; Braquart-Varnier, Christine

    2010-09-01

    Ecological factors modulate animal immunocompetence and potentially shape the evolution of their immune systems. Not only environmental parameters impact on immunocompetence: Aging is one major cause of variability of immunocompetence between individuals, and sex-specific levels of immunocompetence have also been frequently described. Moreover, a growing core of data put in light that vertically transmitted symbionts can dramatically modulate the immunocompetence of their hosts. In this study, we addressed the influence of gender, age and the feminising endosymbiont Wolbachia ( wVulC) on variations in haemocyte density, total PO activity and bacterial load in the haemolymph of the terrestrial isopod Armadillidium vulgare. This host-symbiont system is of particular interest to address this question since: (1) wVulC was previously shown as immunosuppressive in middle-aged females and (2) wVulC influences sex determination. We show that age, gender and Wolbachia modulate together immune parameters in A. vulgare. However, wVulC, which interacts with aging, appears to be the prominent factor interfering with both PO activity and haemocyte density. This interference with immune parameters is not the only aspect of wVulC virulence on its host, as reproduction and survival are also altered.

  8. Vertical variation in leaf gas exchange parameters for a Southeast Asian tropical rainforest in Peninsular Malaysia.

    PubMed

    Kosugi, Yoshiko; Takanashi, Satoru; Yokoyama, Naoto; Philip, Elizabeth; Kamakura, Mai

    2012-11-01

    Vertical variation in leaf gas exchange characteristics of trees grown in a lowland dipterocarp forest in Peninsular Malaysia was investigated. Maximum net photosynthetic rate, stomatal conductance, and electron transport rate of leaves at the upper canopy, lower canopy, and forest floor were studied in situ with saturated condition photosynthetic photon flux density. The dark respiration rate of leaves at the various heights was also studied. Relationships among gas exchange characteristics, and also with nitrogen content per unit leaf area and leaf dry matter per area were clearly detected, forming general equations representing the vertical profile of several important parameters related to gas exchange. Numerical analysis revealed that the vertical distribution of gas exchange parameters was well determined showing both larger carbon gain for the whole canopy and at the same time positive carbon gain for the leaves of the lowest layer. For correct estimation of gas exchange at both leaf and canopy scales using multi-layer models, it is essential to consider the vertical distribution of gas exchange parameters with proper scaling coefficients.

  9. The influence of estimated body segment parameters on predicted joint kinetics during diplegic cerebral palsy gait.

    PubMed

    Kiernan, D; Walsh, M; O'Sullivan, R; O'Brien, T; Simms, C K

    2014-01-03

    Inverse Dynamic calculations are routinely used in joint moment and power estimates during gait with anthropometric data often taken from published sources. Many biomechanical analyses have highlighted the need to obtain subject-specific anthropometric data (e.g. Mass, Centre of Mass, Moments of Inertia) yet the types of imaging techniques required to achieve this are not always available in the clinical setting. Differences in anthropometric sets have been shown to affect the reactive force and moment calculations in normal subjects but the effect on a paediatric diplegic cerebral palsy group has not been investigated. The aim of this study was to investigate the effect of using different anthropometric sets on predicted sagittal plane moments during normal and diplegic cerebral palsy gait. Three published anthropometric sets were applied to the reactive force and moment calculations of 14 Cerebral Palsy and 14 Control subjects. Statistically significant differences were found when comparing the different anthropometric sets but variability in the resulting sagittal plane moment calculations between sets was low (0.01-0.07 Nm/kg). In addition, the GDI-Kinetic, used as an outcome variable to assess whether differences were clinically meaningful, indicated no clinically meaningful difference between sets. The results suggest that the effects of using different anthropometric sets on the kinetic profiles of normal and diplegic cerebral palsy subjects are clinically insignificant.

  10. Determination of the thermal desorption kinetic parameters for samples with a temperature gradient

    NASA Astrophysics Data System (ADS)

    Kurenyova, T. Y.; Ryskin, M. E.; Shub, B. R.

    1981-08-01

    An application of the thermal desorption technique to the study of desorption from the samples with a temperature gradient is discussed. The kinetics of first- and second-order desorption from linearly and exponentially heated samples with a parabolic temperature profile is considered. It is shown that the low-temperature part of the thermal desorption curve is described by the same equations as those for the desorption from the nongradient surface with the less effective area and with the temperature equal to that at the center of the nonuniformly heated sample. The approximate analytical expressions for the amount of adsorbed surface species as a function of time are derived. These expressions enable to find the kinetics order, the activation energy E and the preexponential factor k0 for the desorption process from thermal desorption spectra. In a first approximation the corrections for the nonuniformity of the sample temperature do not substantially change the value of E but slightly increase the value of k0. The correction procedure for k0 is described in detail. The possible application of the proposed method to various experimental conditions is discussed.

  11. 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.

  12. Enzyme immobilization in porous silicon: quantitative analysis of the kinetic parameters for glutathione-S-transferases.

    PubMed

    Delouise, Lisa A; Miller, Benjamin L

    2005-04-01

    Porous silicon matrixes are attractive materials for the construction of biosensors and may also have utility for the production of immobilized enzyme bioreactors. In an effort to gain a quantitative understanding of the effects of immobilization on enzyme activity, we compared the activity of glutathione-S-transferase immobilized in electrochemically etched porous silicon films (approximately 6.5 microm thick) with the enzyme in solution. Kinetic measurements were made by varying the glutathione concentration while maintaining a fixed saturating concentration of 1-chloro-2,4-dinitrobenzene. The reaction kinetics follow steady-state equilibrium behavior. The specific activity of the free enzyme in solution is approximately 4x higher than the immobilized enzyme, for which we measured an apparent K'(m)(GSH) value of 1.0 +/- 0.3. The maximum velocity, V'(max), is linearly proportional to immobilized enzyme concentration, but the magnitude is approximately 20 times lower than that in solution. Results suggest approximately 25% of the enzyme is bound with the catalytic site in an inactive conformation or in a hindered orientation. Finally, the effects of hydration and exposure to denaturants on the immobilized enzyme activity are presented.

  13. Combined Maxwell and kinetic guiding-center theory with polarization drift: Regularized variational formulation with local charge and energy conservation

    NASA Astrophysics Data System (ADS)

    Correa-Restrepo, D.; Pfirsch, D.; Wimmel, H. K.

    1986-06-01

    A formerly derived regularization method is applied to time-dependent Lagrangian guiding-center mechanics, with the polarization drift included. This approach removes the singularity that occurs for B-fields with non-vanishing parallel curl. From the Lagrangian equations of motion, Liouville's theorem and a collisionless kinetic equation for the “regularized guiding centers” are derived. A common Lagrangian density for both the guiding centers and the Maxwell fields is obtained by using a “constrained” Hamiltonian and a formely derived, new variational principle. From this variational formalism local conservation laws for electric charge and energy are derived, together with the correct charge, current, energy and energy flux densities. These densities combined point-like contributions with electric polarization and magnetization terms.

  14. Photodegradation of naproxen in water under simulated solar radiation: mechanism, kinetics, and toxicity variation.

    PubMed

    Ma, Dujuan; Liu, Guoguang; Lv, Wenying; Yao, Kun; Zhang, Xiangdan; Xiao, Huahua

    2014-01-01

    The main objective of this study was to investigate the degradation mechanism, the reaction kinetics, and the evolution of toxicity of naproxen in waters under simulated solar radiation. These criteria were investigated by conducting quenching experiments with reactive oxygen species (ROS), oxygen concentration experiments, and toxicity evaluations with Vibrio fischeri bacteria. The results indicated that the degradation of naproxen proceeds via pseudo first-order kinetics in all cases and that photodegradation included degradation by direct photolysis and by self-sensitization via ROS; the contribution rates of self-sensitized photodegradation were 1.4%, 65.8%, and 31.7% via ·OH, (1)O₂ and O₂(•-), respectively. Furthermore, the oxygen concentration experiments indicated that dissolved oxygen inhibited the direct photodegradation of naproxen, and the higher the oxygen content, the more pronounced the inhibitory effect. The toxicity evaluation illustrated that some of the intermediate products formed were more toxic than naproxen.

  15. Isotherm parameters and intraparticle mass transfer kinetics on molecularly imprinted polymers in acetonitrile/buffer mobile phases

    SciTech Connect

    Kim, Hyunjung; Kaczmarski, Krzysztof; Guiochon, Georges A

    2006-03-01

    The equilibrium isotherm and the intraparticle mass transfer kinetics of the enantiomers of the template were investigated on an Fmoc-L-tryptophan (Fmoc-L-Trp) imprinted polymer at different pHs and water concentrations in acetonitrile/aqueous buffer mobile phases. The equilibrium isotherm data were measured using frontal analysis at 25 {+-} 2 C. The adsorption energy distribution was found to be trimodal, with narrow modes. Consistent with this distribution, the adsorption data were modeled using a tri-Langmuir isotherm equation and the best estimates of the isotherm parameters were determined. The intraparticle mass transfer parameters were derived by comparing the profiles of experimental overloaded bands and the profiles calculated using the isotherm model and the lumped pore diffusion (POR) model of chromatography. These results showed that different adsorption and mass transfer mechanisms exist in mobile phases made of acetonitrile/aqueous buffer and of acetonitrile/acetic acid solutions.

  16. Choosing parameters of kernel subspace LDA for recognition of face images under pose and illumination variations.

    PubMed

    Huang, Jian; Yuen, Pong C; Chen, Wen-Sheng; Lai, Jian Huang

    2007-08-01

    This paper addresses the problem of automatically tuning multiple kernel parameters for the kernel-based linear discriminant analysis (LDA) method. The kernel approach has been proposed to solve face recognition problems under complex distribution by mapping the input space to a high-dimensional feature space. Some recognition algorithms such as the kernel principal components analysis, kernel Fisher discriminant, generalized discriminant analysis, and kernel direct LDA have been developed in the last five years. The experimental results show that the kernel-based method is a good and feasible approach to tackle the pose and illumination variations. One of the crucial factors in the kernel approach is the selection of kernel parameters, which highly affects the generalization capability and stability of the kernel-based learning methods. In view of this, we propose an eigenvalue-stability-bounded margin maximization (ESBMM) algorithm to automatically tune the multiple parameters of the Gaussian radial basis function kernel for the kernel subspace LDA (KSLDA) method, which is developed based on our previously developed subspace LDA method. The ESBMM algorithm improves the generalization capability of the kernel-based LDA method by maximizing the margin maximization criterion while maintaining the eigenvalue stability of the kernel-based LDA method. An in-depth investigation on the generalization performance on pose and illumination dimensions is performed using the YaleB and CMU PIE databases. The FERET database is also used for benchmark evaluation. Compared with the existing PCA-based and LDA-based methods, our proposed KSLDA method, with the ESBMM kernel parameter estimation algorithm, gives superior performance.

  17. Improving simulated Amazon forest biomass and productivity by including spatial variation in biophysical parameters

    NASA Astrophysics Data System (ADS)

    Castanho, A. D. A.; Coe, M. T.; Costa, M. H.; Malhi, Y.; Galbraith, D.; Quesada, C. A.

    2013-04-01

    Dynamic vegetation models forced with spatially homogeneous biophysical parameters are capable of producing average productivity and biomass values for the Amazon basin forest biome that are close to the observed estimates, but these models are unable to reproduce observed spatial variability. Recent observational studies have shown substantial regional spatial variability of above-ground productivity and biomass across the Amazon basin, which is believed to be primarily driven by a combination of soil physical and chemical properties. In this study, spatial heterogeneity of vegetation properties is added to the Integrated Biosphere Simulator (IBIS) land surface model, and the simulated productivity and biomass of the Amazon basin are compared to observations from undisturbed forest. The maximum RuBiCo carboxylation capacity (Vcmax) and the woody biomass residence time (τw) were found to be the most important properties determining the modeled spatial variation of above-ground woody net primary productivity and biomass, respectively. Spatial heterogeneity of these properties may lead to simulated spatial variability of 1.8 times in the woody net primary productivity (NPPw) and 2.8 times in the woody above-ground biomass (AGBw). The coefficient of correlation between the modeled and observed woody productivity improved from 0.10 with homogeneous parameters to 0.73 with spatially heterogeneous parameters, while the coefficient of correlation between the simulated and observed woody above-ground biomass improved from 0.33 to 0.88. The results from our analyses with the IBIS dynamic vegetation model demonstrated that using single values for key ecological parameters in the tropical forest biome severely limits simulation accuracy. Clearer understanding of the biophysical mechanisms that drive the spatial variability of carbon allocation, τw and Vcmax is necessary to achieve further improvements to simulation accuracy.

  18. Comparative analysis of cryoprotective agents influence on thermodynamic and kinetic parameters of equine and human hemoglobin molecules.

    PubMed

    Zinchenko, Aleksandra V; Govorova, Yuliana S

    2014-01-01

    Critical to the understanding the mechanism of destruction and protection during cryopreservation of biological objects is the knowledge of the conformational transitions of biopolymers experiencing low temperatures in the presence of cryoprotective agents. This information may be derived from the kinetic and thermodynamic parameters of macromolecular thermal denaturation kinetics under different environmental conditions. The study deals with the influence of cryoprotective agents (glycerol, 1.2-propanediol (1.2-PD), and dimethyl sulfoxide (DMSO)) on thermodynamic and kinetic parameters of equine and human hemoglobin. Thermograms were recorded with differential scanning adiabatic microcalorimeter (DASM-4, Biopribor, Russia). Temperatures and enthalpy changes in the denaturation of hemoglobins (ΔHcal) in the presence of cryoprotective agents from 0-40% (w/w) were determined. Within the whole concentration range glycerol slightly alters the hemoglobin denaturation temperature while DMSO and 1.2-PD lead to a significant decrease. The addition of cryoprotectants to hemoglobin solutions induces a complex behavior of ΔHcal concentration dependences of denaturation caused by intra- and intermolecular processes such as hydration of the porphyrin cycle, heme cleavage from heme-containing proteins, disorder in hydrophobic contacts with globin etc. These factors may decrease thermal stability by loosening hemoglobin molecules and spatial disruption of fragments of the protein. Activation energy of irreversible unfolding of equine hemoglobin at heating was estimated using the approach of Sanchez-Ruiz et al. DMSO and 1.2-PD decreased activation energy values. The data indicate the reduction of protein thermal stability by DMSO and 1.2-PD. Glycerol slightly increases hemoglobin thermal stability within the studied range of concentrations.

  19. FAST INVERSION METHOD FOR DETERMINATION OF PLANETARY PARAMETERS FROM TRANSIT TIMING VARIATIONS

    SciTech Connect

    Nesvorny, David; Beauge, Cristian

    2010-01-20

    The transit timing variation (TTV) method relies on monitoring changes in timing of transits of known exoplanets. Non-transiting planets in the system can be inferred from TTVs by their gravitational interaction with the transiting planet. The TTV method is sensitive to low-mass planets that cannot be detected by other means. Here we describe a fast algorithm that can be used to determine the mass and orbit of the non-transiting planets from the TTV data. We apply our code, ttvim.f, to a wide variety of planetary systems to test the uniqueness of the TTV inversion problem and its dependence on the precision of TTV observations. We find that planetary parameters, including the mass and mutual orbital inclination of planets, can be determined from the TTV data sets that should become available in near future. Unlike the radial velocity technique, the TTV method can therefore be used to characterize the inclination distribution of multi-planet systems.

  20. A variational approach for dissipative quantum transport in a wide parameter space

    SciTech Connect

    Zhang, Yu Kwok, YanHo; Chen, GuanHua; Yam, ChiYung

    2015-09-14

    Recent development of theoretical method for dissipative quantum transport has achieved notable progresses in the weak or strong electron-phonon coupling regime. However, a generalized theory for dissipative quantum transport in a wide parameter space had not been established. In this work, a variational polaron theory for dissipative quantum transport in a wide range of electron-phonon coupling is developed. The optimal polaron transformation is determined by the optimization of the Feynman-Bogoliubov upper bound of free energy. The free energy minimization ends up with an optimal mean-field Hamiltonian and a minimal interaction Hamiltonian. Hence, second-order perturbation can be applied to the transformed system, resulting in an accurate and efficient method for the treatment of dissipative quantum transport with different electron-phonon coupling strength. Numerical benchmark calculation on a single site model coupled to one phonon mode is presented.

  1. The effects of parameter variation on MSET models of the Crystal River-3 feedwater flow system.

    SciTech Connect

    Miron, A.

    1998-04-01

    In this paper we develop further the results reported in Reference 1 to include a systematic study of the effects of varying MSET models and model parameters for the Crystal River-3 (CR) feedwater flow system The study used archived CR process computer files from November 1-December 15, 1993 that were provided by Florida Power Corporation engineers Fairman Bockhorst and Brook Julias. The results support the conclusion that an optimal MSET model, properly trained and deriving its inputs in real-time from no more than 25 of the sensor signals normally provided to a PWR plant process computer, should be able to reliably detect anomalous variations in the feedwater flow venturis of less than 0.1% and in the absence of a venturi sensor signal should be able to generate a virtual signal that will be within 0.1% of the correct value of the missing signal.

  2. A variational approach for dissipative quantum transport in a wide parameter space.

    PubMed

    Zhang, Yu; Yam, ChiYung; Chen, GuanHua

    2015-09-14

    Recent development of theoretical method for dissipative quantum transport has achieved notable progresses in the weak or strong electron-phonon coupling regime. However, a generalized theory for dissipative quantum transport in a wide parameter space had not been established. In this work, a variational polaron theory for dissipative quantum transport in a wide range of electron-phonon coupling is developed. The optimal polaron transformation is determined by the optimization of the Feynman-Bogoliubov upper bound of free energy. The free energy minimization ends up with an optimal mean-field Hamiltonian and a minimal interaction Hamiltonian. Hence, second-order perturbation can be applied to the transformed system, resulting in an accurate and efficient method for the treatment of dissipative quantum transport with different electron-phonon coupling strength. Numerical benchmark calculation on a single site model coupled to one phonon mode is presented.

  3. Effect of emitter parameter variation on the performance of heteroepitaxial indium phosphide solar cells

    NASA Technical Reports Server (NTRS)

    Jain, R. K.; Flood, D. J.

    1990-01-01

    Metalorganic chemical-vapor-deposited heteroepitaxial indium phosphide (InP) solar cell experimental results were simulated by using a PC-1D computer model. The effect of emitter parameter variation on the performance of n(+)/p/p(+) heteroepitaxial InP/GaAs solar cell was presented. The thinner and lighter doped emitters were observed to offer higher cell efficiencies. The influence of emitter thickness and minority carrier diffusion length on the cell efficiency with respect to dislocation density was studied. Heteroepitaxial cells with efficiencies similar to present day homojunction InP efficiencies (greaater than 16 percent AM0) were shown to be attainable if a dislocation density lower than 10(exp 6)/sq cm could be achieved. A realistic optimized design study yielded InP solar cells of over 22 percent AM0 efficiency at 25 C.

  4. Effect of emitter parameter variation on the performance of heteroepitaxial indium phosphide solar cells

    NASA Technical Reports Server (NTRS)

    Jain, Raj K.; Flood, Dennis J.

    1990-01-01

    Metallorganic chemical-vapor-deposited heteroepitaxial indium phosphide (InP) solar cell experimental results were simulated by using a PC-1D computer model. The effect of emitter parameter variation on the performance of n(+)/p/p(+) heteroepitaxial InP/GaAs solar cell was presented. The thinner and lighter doped emitters were observed to offer higher cell efficiencies. The influence of emitter thickness and minority carrier diffusion length on the cell efficiency with respect to dislocation density was studied. Heteroepitaxial cells with efficiencies similar to present day homojunction InP efficiencies (greater than 16 percent AMO) were shown to be attainable if a dislocation density lower than 10(exp 6)/sq cm could be achieved. A realistic optimized design study yielded InP solar cells of over 22 percent AMO efficiency at 25 C.

  5. Effect of emitter parameter variation on the performance of heteroepitaxial indium phosphide solar cells

    NASA Technical Reports Server (NTRS)

    Jain, R. K.; Flood, D. J.

    1990-01-01

    Metalorganic chemical-vapor-deposited heteroepitaxial indium phosphide (InP) solar cell experimental results were simulated by using a PC-1D computer model. The effect of emitter parameter variation on the performance of n(+)/p/p(+) heteroepitaxial InP/GaAs solar cell was presented. The thinner and lighter doped emitters were observed to offer higher cell efficiencies. The influence of emitter thickness and minority carrier diffusion length on the cell efficiency with respect to dislocation density was studied. Heteroepitaxial cells with efficiencies similar to present day homojunction InP efficiencies (greaater than 16 percent AM0) were shown to be attainable if a dislocation density lower than 10(exp 6)/sq cm could be achieved. A realistic optimized design study yielded InP solar cells of over 22 percent AM0 efficiency at 25 C.

  6. Higher adsorption capacity of Spirulina platensis alga for Cr(VI) ions removal: parameter optimisation, equilibrium, kinetic and thermodynamic predictions.

    PubMed

    Gunasundari, Elumalai; Senthil Kumar, Ponnusamy

    2017-04-01

    This study discusses about the biosorption of Cr(VI) ion from aqueous solution using ultrasonic assisted Spirulina platensis (UASP). The prepared UASP biosorbent was characterised by Fourier transform infrared spectroscopy, X-ray diffraction, Brunauer-Emmet-Teller, scanning electron spectroscopy and energy dispersive X-ray and thermogravimetric analyses. The optimum condition for the maximum removal of Cr(VI) ions for an initial concentration of 50 mg/l by UASP was measured as: adsorbent dose of 1 g/l, pH of 3.0, contact time of 30 min and temperature of 303 K. Adsorption isotherm, kinetics and thermodynamic parameters were calculated. Freundlich model provided the best results for the removal of Cr(VI) ions by UASP. The adsorption kinetics of Cr(VI) ions onto UASP showed that the pseudo-first-order model was well in line with the experimental data. In the thermodynamic study, the parameters like Gibb's free energy, enthalpy and entropy changes were evaluated. This result explains that the adsorption of Cr(VI) ions onto the UASP was exothermic and spontaneous in nature. Desorption of the biosorbent was done using different desorbing agents in which NaOH gave the best result. The prepared material showed higher affinity for the removal of Cr(VI) ions and this may be an alternative material to the existing commercial adsorbents.

  7. [Molecular-kinetic parameters of thiamine enzymes and the mechanism of antivitamin action of hydroxythiamine in animal organisms].

    PubMed

    Ostrovskiĭ KuM; Voskoboev, A I; Gorenshtenĭn, B I; Dosta, G A

    1979-09-01

    The molecula-kinetic parameters (Km, Ki) of three thiamine enzymes, e. g. thiamine pyrophosphokinase (EC 2.7.6.2), pyruvate dehydrogenase (EC 1.2.4.1) and transketolase (EC 2.2.1.1) with respect to the effects of the thiamine antimetabolite hydroxythiamine in the whole animal organism have been compared. It has been shown that only the first two enzymes, which interact competitively with the vitamin, antivitamin or their pyrophosphate ethers, obey the kinetic parameters obtained for the purified enzymes in vitro. The anticoenzymic effect of hydroxythiamine pyrophosphate with respect to transketolase is not observed in vivo at maximal concentration of the anticoenzyme in tissues due to the absence of competitive interactions with thiamine pyrophosphate. The incorporation of the true and false coenzymes into transketolase occurs only during de novo transketolase synthesis (the apoform is absent in tissues, with the exception of erythrocytes) and proceeds slowly with a half-life time equal to 24--30 hrs. After a single injection of hydroxythiamine at a large dose (70--400 mg/kg) the maximal inhibition of the transketolase activity in tissues (liver, heart, kidney, muscle, spleen, lungs adrenal grands) manifests itself by the 48th--72nd hour, when the concentration of free hydroxythiamine and its pyrophosphate is minimal and the whole anticoenzyme is tightly bound to the protein, forming the false holoenzyme. The use of hydroxythiamine for inhibition of pyruvate dehydrogenase or transketolase in animal organism is discussed.

  8. Degradation of ciprofloxacin in water by advanced oxidation process: kinetics study, influencing parameters and degradation pathways.

    PubMed

    Sayed, Murtaza; Ismail, M; Khan, Sanaullah; Tabassum, Safia; Khan, Hasan M

    2016-01-01

    Gamma-radiation-induced degradation of ciprofloxacin (CIP) in aqueous solution and the factors affecting the degradation process have been investigated. The results showed that CIP (4.6 mg/L) was almost completely degraded at an absorbed dose of 870 Gy. The kinetic studies of aqueous solutions containing 4.6, 10, 15 and 17.9 mg/L indicated that the decomposition of CIP by gamma irradiation followed pseudo-first-order kinetics and the decay constant (k) decreased from 5.9  ×  10(-3) to 1.6  ×  10(-3) Gy(-1) with an increase in CIP initial concentration from 4.6 to 17.9 mg/L. The effect of saturation of CIP solution with N2, N2O or air on radiation-induced degradation of CIP was also investigated. The effects of radical scavengers, such as t-BuOH and i-PrOH, showed the role of reactive radicals towards degradation of CIP in the order of OH > e(aq)- . H. The apparent second-order rate constant of [Formula: see text] with CIP was calculated to be 2.64 × 10(9) M(-1) s(-1). The effects of solution pH as well as natural water contaminants, such as [HCO3-, CO3(2-), and NO2-, on CIP degradation by gamma-irradiation were also investigated. Major degradation products, including organic acids, were identified using UPLC-MS/MS and IC, and degradation pathways have been proposed.

  9. Optimization of residual stresses in MMC's through the variation of interfacial layer architectures and processing parameters

    NASA Technical Reports Server (NTRS)

    Pindera, Marek-Jerzy; Salzar, Robert S.

    1996-01-01

    The objective of this work was the development of efficient, user-friendly computer codes for optimizing fabrication-induced residual stresses in metal matrix composites through the use of homogeneous and heterogeneous interfacial layer architectures and processing parameter variation. To satisfy this objective, three major computer codes have been developed and delivered to the NASA-Lewis Research Center, namely MCCM, OPTCOMP, and OPTCOMP2. MCCM is a general research-oriented code for investigating the effects of microstructural details, such as layered morphology of SCS-6 SiC fibers and multiple homogeneous interfacial layers, on the inelastic response of unidirectional metal matrix composites under axisymmetric thermomechanical loading. OPTCOMP and OPTCOMP2 combine the major analysis module resident in MCCM with a commercially-available optimization algorithm and are driven by user-friendly interfaces which facilitate input data construction and program execution. OPTCOMP enables the user to identify those dimensions, geometric arrangements and thermoelastoplastic properties of homogeneous interfacial layers that minimize thermal residual stresses for the specified set of constraints. OPTCOMP2 provides additional flexibility in the residual stress optimization through variation of the processing parameters (time, temperature, external pressure and axial load) as well as the microstructure of the interfacial region which is treated as a heterogeneous two-phase composite. Overviews of the capabilities of these codes are provided together with a summary of results that addresses the effects of various microstructural details of the fiber, interfacial layers and matrix region on the optimization of fabrication-induced residual stresses in metal matrix composites.

  10. Variation in available cesium concentration with parameters during temperature induced extraction of cesium from soil.

    PubMed

    Parajuli, Durga; Takahashi, Akira; Tanaka, Hisashi; Sato, Mutsuto; Fukuda, Shigeharu; Kamimura, Ryuichi; Kawamoto, Tohru

    2015-02-01

    Cesium extraction behavior of brown forest type soil collected from paddy fields in Fukushima nuclear accident affected areas was studied. In nitric acid or sulfuric acid solutions at elevated temperature, the concentration of Cs in soil available for extraction, m0, has been estimated on the basis of modified canonical equation and the equations derived from assumed equilibria. With the variation in temperature, mixing time, and soil to solvent ratio, the observed m0 values in 0.5 M acid solution ranged between 1.5 and 2.9 mg cesium per kilogram of soil. By increasing the acid concentration to 3 M, the value of m0 could be sharply increased to 5.1 mg/kg even at 95 °C. This variation in the extractable concentration of cesium with the parameters signifies the existence of different binding sites in the soil matrix. The results observed for uncontaminated sample could be reproduced with the radioactive cesium contaminated sample belonging to the same soil group.

  11. Effects of hydraulic parameter cleaning variations on rate of penetration of soft formation insert bits

    SciTech Connect

    Doiron, H.H.; Deane, J.D.

    1982-09-01

    Effects of hydraulic cleaning parameter variations on rate of penetration response of 7 7/8 inch diameter soft formation insert bits have been measured in laboratory drilling tests. Tests were conducted in Mancos Shale rock samples at 700 psi and 4000 psi simulated overbalance pressure conditions using a 9.1 pound per gallon bentonite-barite water base drilling fluid. Bit hydraulic horsepower was varied from 0.72 to 9.5 HHP/in/sup 2/ using two or three nozzles in sizes ranging from 9/32 to 14/32 inches in diameter. Some improvements in ROP at constant bit hydraulic horsepower and impact force levels were obtained with two nozzle configurations vs. three nozzle configurations, but improvements were not consistently out of the range of normal test to test variations. Reduction in drilling costs due to the measured response of ROP to improved hydraulic cleaning is compared to increased operating costs required to provide additional hydraulics. Results indicate that bit hydraulic horsepower levels in excess of popular rules of thumb are cost effective in slow drilling due to high overbalance pressure.

  12. Aftershock productivity of large megathrust earthquakes: regional variations and influence of mainshock source parameters

    NASA Astrophysics Data System (ADS)

    Wetzler, N.; Brodsky, E. E.; Lay, T.

    2016-12-01

    On average, the number of aftershocks increases with mainshock magnitude following a well-defined relationship for any given region. However, variability around this average relationship provokes important questions. What regional variations exist? How do other mainshock properties such as stress drop affect aftershock productivity? To address these issues we focus on variations of aftershock productivity of large (MW ≥ 7.0) circum-Pacific megathrust earthquakes within the past 25 years. We capitalize on an extant set of finite-fault rupture model inversions to investigate how aftershock productivity varies regionally and with aftershock source parameters. We find aftershock productivity to be higher for islands arcs of the western circum-Pacific than for continental arcs of the eastern circum-Pacific. Surprisingly, events with larger static stress-drops do not produce more aftershocks than those with smaller stress drops. If anything, larger static stress-drops tend to produce fewer aftershocks than comparable magnitude events with lower stress-drop. The regional trend may reflect differences in fault susceptibility between island arcs and continental arcs, and the stress-drop behavior may imply near-total stress release for the largest stress drop events.

  13. Effects of Spectral and Temporal Variations in Gamma Ray Burst Parameters

    NASA Astrophysics Data System (ADS)

    Ejzak, L. M.; Melott, A. L.; Thomas, B. C.; Medvedev, M. V.

    2005-12-01

    It has previously been shown that a typical gamma ray burst could have significant effects on the Earth, including such considerations as ozone depletion and production of odd nitrogen compounds. These effects in turn contribute to processes such as DNA damage in organisms, increasing opacity of the atmosphere, and nitric acid rain. Our interest lies in the role that these processes may play in mass extinction events, in particular the Ordovician mass extinction 443 Mya. Here we investigate variations in certain burst parameters and the resulting variation in the severity of effect that the burst radiation has on the Earth's atmosphere. We extend the range of photon energies used in the model beyond the range used in previous studies, and model bursts with a number of different peak energies. We also alter the temporal profile of the radiation during the burst itself. This research is conducted with support from NASA's Astrobiology: Exobiology and Evolutionary Biology Program and in collaboration with NASA's Goddard Space Flight Center, and with supercomputer support from NCSA.

  14. Orbital parameter estimation of extrasolar multi-planet systems by Transit Time Variation

    NASA Astrophysics Data System (ADS)

    Korth, J.; Grziwa, S.; Pätzold, M.

    2014-04-01

    Transit Time Variation (TTV) is the earlier or later occurrence of a planetary transit relative to the time of a reference transit. TTV may be dominantly caused by the gravitational perturbation of the orbit of the transiting planet by another still unknown planet(s) inside or outside of the orbit of the known transiting planet. Gravitational interactions perturb the velocity of the transiting planet in its orbit which manifests in the periodical perturbation of the revolution period. Measurements of the transit times and the identification of differences from a mean transit period may then indicate the presence of another unknown planet and is therefore proof for the existence of further planets. The estimation of the mass of the transiting planet and the orbital parameters of the undetected planet(s) are constrained by the amplitude of the periodical variation of the transit times. Simulations of known multi-planet systems which show TTV shall be presented. The resulting TTV amplitude is analyzed with regard to the main dependencies: mass of the perturbing planet and the orbit eccentricities.

  15. Material properties of evolutionary diverse spider silks described by variation in a single structural parameter

    NASA Astrophysics Data System (ADS)

    Madurga, Rodrigo; Plaza, Gustavo R.; Blackledge, Todd A.; Guinea, Gustavo. V.; Elices, Manuel; Pérez-Rigueiro, José

    2016-01-01

    Spider major ampullate gland silks (MAS) vary greatly in material properties among species but, this variation is shown here to be confined to evolutionary shifts along a single universal performance trajectory. This reveals an underlying design principle that is maintained across large changes in both spider ecology and silk chemistry. Persistence of this design principle becomes apparent after the material properties are defined relative to the true alignment parameter, which describes the orientation and stretching of the protein chains in the silk fiber. Our results show that the mechanical behavior of all Entelegynae major ampullate silk fibers, under any conditions, are described by this single parameter that connects the sequential action of three deformation micromechanisms during stretching: stressing of protein-protein hydrogen bonds, rotation of the β-nanocrystals and growth of the ordered fraction. Conservation of these traits for over 230 million years is an indication of the optimal design of the material and gives valuable clues for the production of biomimetic counterparts based on major ampullate spider silk.

  16. Material properties of evolutionary diverse spider silks described by variation in a single structural parameter

    PubMed Central

    Madurga, Rodrigo; Plaza, Gustavo R.; Blackledge, Todd A.; Guinea, Gustavo.V.; Elices, Manuel; Pérez-Rigueiro, José

    2016-01-01

    Spider major ampullate gland silks (MAS) vary greatly in material properties among species but, this variation is shown here to be confined to evolutionary shifts along a single universal performance trajectory. This reveals an underlying design principle that is maintained across large changes in both spider ecology and silk chemistry. Persistence of this design principle becomes apparent after the material properties are defined relative to the true alignment parameter, which describes the orientation and stretching of the protein chains in the silk fiber. Our results show that the mechanical behavior of all Entelegynae major ampullate silk fibers, under any conditions, are described by this single parameter that connects the sequential action of three deformation micromechanisms during stretching: stressing of protein-protein hydrogen bonds, rotation of the β-nanocrystals and growth of the ordered fraction. Conservation of these traits for over 230 million years is an indication of the optimal design of the material and gives valuable clues for the production of biomimetic counterparts based on major ampullate spider silk. PMID:26755434

  17. Seasonal variation of selected performance parameters in épée fencers.

    PubMed

    Koutedakis, Y; Ridgeon, A; Sharp, N C; Boreham, C

    1993-09-01

    In this study, anthropometric measurements were carried out on seven British international male épée fencers, using a maximal treadmill running test, a 20-s Wingate-type test, and isokinetic dynamometry. Testing was conducted on two occasions, 5 to 6 months apart, during mid-off-season (preparation) and mid-in-season (competition) periods. Maximal oxygen intake (VO2max) and maximal respiratory exchange ratio (Rmax) were among the parameters obtained from the treadmill test, while peak and mean anaerobic power outputs were measured during a 20-s maximal effort. Knee extensor and flexor muscle forces from both dominant (leading) and non-dominant (trailing) legs were assessed at 1.04, 3.14 and 4.19 rad sec-1. Statistical analyses revealed lower mean VO2max (P < 0.05) and mean Rmax values (P < 0.02) at the in-season assessments compared with off-season. In-season testing also demonstrated significantly lower peak torques for both dominant and non-dominant knee extensors compared with off-season assessments at all velocities (P < 0.05 to P < 0.004). Furthermore, in-season peak torque for the non-dominant leg flexors was lower (P < 0.03) at 4.19 rad sec-1 than off-season. We conclude that current training practices may account for the observed seasonal variations in performance related physiological parameters in fencers.

  18. Parameter study and optimization for piezoelectric energy harvester for TPMS considering speed variation

    NASA Astrophysics Data System (ADS)

    Toghi Eshghi, Amin; Lee, Soobum; Lee, Hanmin; Kim, Young-Cheol

    2016-04-01

    In this paper, we perform design parameter study and design optimization for a piezoelectric energy harvester considering vehicle speed variation. Initially, a FEM model using ANSYS is developed to appraise the performance of a piezoelectric harvester in a rotating tire. The energy harvester proposed here uses the vertical deformation at contact patch area from the car weight and centrifugal acceleration. This harvester is composed of a beam which is clamped at both ends and a piezoelectric material is attached on the top of that. The piezoelectric material possesses the 31 mode of transduction in which the direction of applied field is perpendicular to that of the electric field. To optimize the harvester performance, we would change the geometrical parameters of the harvester to obtain the maximum power. One of the main challenges in the design process is obtaining the required power while considering the constraints for harvester weight and volume. These two concerns are addressed in this paper. Since the final goal of this study is the development of an energy harvester with a wireless sensor system installed in a real car, the real time data for varied velocity of a vehicle are taken into account for power measurements. This study concludes that the proposed design is applicable to wireless tire sensor systems.

  19. Spatial Variation of the Relationship between PM2.5 Concentrations and Meteorological Parameters in China

    PubMed Central

    Lin, Gang; Fu, Jingying; Jiang, Dong; Wang, Jianhua; Wang, Qiao; Dong, Donglin

    2015-01-01

    Epidemiological studies around the world have reported that fine particulate matter (PM2.5) is closely associated with human health. The distribution of PM2.5 concentrations is influenced by multiple geographic and socioeconomic factors. Using a remote-sensing-derived PM2.5 dataset, this paper explores the relationship between PM2.5 concentrations and meteorological parameters and their spatial variance in China for the period 2001–2010. The spatial variations of the relationships between the annual average PM2.5, the annual average precipitation (AAP), and the annual average temperature (AAT) were evaluated using the Geographically Weighted Regression (GWR) model. The results indicated that PM2.5 had a strong and stable correlation with meteorological parameters. In particular, PM2.5 had a negative correlation with precipitation and a positive correlation with temperature. In addition, the relationship between the variables changed over space, and the strong negative correlation between PM2.5 and the AAP mainly appeared in the warm temperate semihumid region and northern subtropical humid region in 2001 and 2010, with some localized differences. The strong positive correlation between the PM2.5 and the AAT mainly occurred in the mid-temperate semiarid region, the humid, semihumid, and semiarid warm temperate regions, and the northern subtropical humid region in 2001 and 2010. PMID:26295046

  20. Seasonal variation of selected performance parameters in épée fencers.

    PubMed Central

    Koutedakis, Y; Ridgeon, A; Sharp, N C; Boreham, C

    1993-01-01

    In this study, anthropometric measurements were carried out on seven British international male épée fencers, using a maximal treadmill running test, a 20-s Wingate-type test, and isokinetic dynamometry. Testing was conducted on two occasions, 5 to 6 months apart, during mid-off-season (preparation) and mid-in-season (competition) periods. Maximal oxygen intake (VO2max) and maximal respiratory exchange ratio (Rmax) were among the parameters obtained from the treadmill test, while peak and mean anaerobic power outputs were measured during a 20-s maximal effort. Knee extensor and flexor muscle forces from both dominant (leading) and non-dominant (trailing) legs were assessed at 1.04, 3.14 and 4.19 rad sec-1. Statistical analyses revealed lower mean VO2max (P < 0.05) and mean Rmax values (P < 0.02) at the in-season assessments compared with off-season. In-season testing also demonstrated significantly lower peak torques for both dominant and non-dominant knee extensors compared with off-season assessments at all velocities (P < 0.05 to P < 0.004). Furthermore, in-season peak torque for the non-dominant leg flexors was lower (P < 0.03) at 4.19 rad sec-1 than off-season. We conclude that current training practices may account for the observed seasonal variations in performance related physiological parameters in fencers. PMID:8242273

  1. Performance Analysis of SISFCL with the Variation of Circuit Parameters using Jiles Atherton Hysteresis Model

    NASA Astrophysics Data System (ADS)

    Sarkar, Debraj; Roy, Debabrata; Choudhury, Amalendu Bikash; Yamada, Sotoshi

    2016-08-01

    In modern day power systems, fault current limiters (FCL) are used to provide protection from high fault currents in the event of electrical faults and thus help to deliver uninterrupted electric supply to the consumers. Several technologies of FCLs are available for practical usage. However, the saturated iron-core superconducting fault current limiter (SISFCL) has gained a lot of attention in recent years in view of its ability to offer very low impedance during normal operation and high impedance during faulted condition. Previous mathematical models defining the performance of the device employs a simple BH curve. But as the change in mathematical state of saturation and unsaturation is important for the operation of the device, the paper investigates the responses considering the effects of magnetic hysteresis utilising the Jiles Atherton hysteresis model. Further the performance of the device is analysed with the variations of different parameters viz., the fault resistance magnitude, DC bias current, number of turns of the AC winding and number of turns of the DC winding that portray the effectiveness of the parameters encouraging an optimal design of the limiter.

  2. Effects of rotor parameter variations on handling qualities of unaugmented helicopters in simulated terrain flight

    NASA Technical Reports Server (NTRS)

    Talbot, P. D.; Dugan, D. D.; Chen, R. T. N.; Gerdes, R. M.

    1980-01-01

    A coordinated analysis and ground simulator experiment was performed to investigate the effects on single rotor helicopter handling qualities of systematic variations in the main rotor hinge restraint, hub hinge offset, pitch-flap coupling, and blade lock number. Teetering rotor, articulated rotor, and hingeless rotor helicopters were evaluated by research pilots in special low level flying tasks involving obstacle avoidance at 60 to 100 knots airspeed. The results of the experiment are in the form of pilot ratings, pilot commentary, and some objective performance measures. Criteria for damping and sensitivity are reexamined when combined with the additional factors of cross coupling due to pitch and roll rates, pitch coupling with collective pitch, and longitudinal static stability. Ratings obtained with and without motion are compared. Acceptable flying qualities were obtained within each rotor type by suitable adjustment of the hub parameters, however, pure teetering rotors were found to lack control power for the tasks. A limit for the coupling parameter L sub q/L sub p of 0.35 is suggested.

  3. On the optimal use of fictitious time in variation of parameters methods with application to BG14

    NASA Technical Reports Server (NTRS)

    Gottlieb, Robert G.

    1991-01-01

    The optimal way to use fictitious time in variation of parameter methods is presented. Setting fictitious time to zero at the end of each step is shown to cure the instability associated with some types of problems. Only some parameters are reinitialized, thereby retaining redundant information.

  4. Comparison of variational real-space representations of the kinetic energy operator

    NASA Astrophysics Data System (ADS)

    Skylaris, Chris-Kriton; Diéguez, Oswaldo; Haynes, Peter D.; Payne, Mike C.

    2002-08-01

    We present a comparison of real-space methods based on regular grids for electronic structure calculations that are designed to have basis set variational properties, using as a reference the conventional method of finite differences (a real-space method that is not variational) and the reciprocal-space plane-wave method which is fully variational. We find that a definition of the finite-difference method [P. Maragakis, J. Soler, and E. Kaxiras, Phys. Rev. B 64, 193101 (2001)] satisfies one of the two properties of variational behavior at the cost of larger errors than the conventional finite-difference method. On the other hand, a technique which represents functions in a number of plane waves which is independent of system size closely follows the plane-wave method and therefore also the criteria for variational behavior. Its application is only limited by the requirement of having functions strictly localized in regions of real space, but this is a characteristic of an increasing number of modern real-space methods, as they are designed to have a computational cost that scales linearly with system size.

  5. A Compilation of Rate Parameters of Water-Mineral Interaction Kinetics for Application to Geochemical Modeling

    DTIC Science & Technology

    2004-03-01

    35 3.3.1 Cordierite and Tourmaline ...Cyclosilicates 3.3.1 Cordierite and Tourmaline Rate parameters for the acidic and neutral mechanisms (data are absent for the basic mechanism) for cordierite...and tourmaline were compiled from Sverdrup (1990; Table 24), with activation energies calculated herein from reported rate constants at 8 and 25 °C

  6. Kinetic Modeling and Parameter Estimation in a Tower Bioreactor for Bioethanol Production

    NASA Astrophysics Data System (ADS)

    Rivera, Elmer Ccopa; da Costa, Aline Carvalho; Lunelli, Betânia Hoss; Maciel, Maria Regina Wolf; Filho, Rubens Maciel

    In this work, a systematic method to support the building of bioprocess models through the use of different optimization techniques is presented. The method was applied to a tower bioreactor for bioethanol production with immobilized cells of Saccharomyces cerevisiae. Specifically, a step-by-step procedure to the estimation problem is proposed. As the first step, the potential of global searching of real-coded genetic algorithm (RGA) was applied for simultaneous estimation of the parameters. Subsequently, the most significant parameters were identified using the Placket-Burman (PB) design. Finally, the quasi-Newton algorithm (QN) was used for optimization of the most significant parameters, near the global optimum region, as the initial values were already determined by the RGA global-searching algorithm. The results have shown that the performance of the estimation procedure applied in a deterministic detailed model to describe the experimental data is improved using the proposed method (RGA-PB-QN) in comparison with a model whose parameters were only optimized by RGA.

  7. Kinetic modeling and parameter estimation in a tower bioreactor for bioethanol production.

    PubMed

    Ccopa Rivera, Elmer; da Costa, Aline Carvalho; Lunelli, Betânia Hoss; Maciel, Maria Regina Wolf; Maciel Filho, Rubens

    2008-03-01

    In this work, a systematic method to support the building of bioprocess models through the use of different optimization techniques is presented. The method was applied to a tower bioreactor for bioethanol production with immobilized cells of Saccharomyces cerevisiae. Specifically, a step-by-step procedure to the estimation problem is proposed. As the first step, the potential of global searching of real-coded genetic algorithm (RGA) was applied for simultaneous estimation of the parameters. Subsequently, the most significant parameters were identified using the Placket-Burman (PB) design. Finally, the quasi-Newton algorithm (QN) was used for optimization of the most significant parameters, near the global optimum region, as the initial values were already determined by the RGA global-searching algorithm. The results have shown that the performance of the estimation procedure applied in a deterministic detailed model to describe the experimental data is improved using the proposed method (RGA-PB-QN) in comparison with a model whose parameters were only optimized by RGA.

  8. 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.

  9. Variation of the superconductor order parameter in quench-condensed granular films

    NASA Astrophysics Data System (ADS)

    Merchant, Lynne Marie

    This thesis investigates the superconductor order parameter through variation of amplitude and phase. Quench condensed two dimensional granular Pb films probe the phase, and a proximity effect of normal metal Ag on top of a granular Pb film probes the amplitude. Experiments in this thesis show that these grains are superconducting locally even though the film may be globally insulating due to poor coupling. The granular film can be thought of as a two-dimensional array of resistively shunted Josephson junctions. Phase stiffness is explored via varying the Josephson coupling between superconducting grains. The overlap between order parameters of the grains can range from very small to very large. The larger the overlap, the stiffer the coupled grains are to resist phase fluctuations. Severe phase fluctuations can destroy superconductivity. The amplitude is related to the density of Cooper pairs and this is related to the density of states and the energy gap. The proximity effect reduces the density of Cooper pairs by allowing a larger volume for the pairs to roam in. Analogies can be made between the variation of coupling and the suppression of the order parameter amplitude in a granular Pb + Ag system and a high T c system using the phase diagram of Emery-Kivelson theory. Superconductivity is explored below critical temperatures of about 7 Kelvin in two dimensional quench condensed Pb films measured in a disordered granular state, in a uniform state, in proximity to a normal metal, and in combinations of the above. Much is known about low temperature superconductors in three dimensions, but interesting questions remain in two dimensions. In two dimensions, there is a transition from an insulating state to a superconducting state that is not a sharp transition. In between lie interesting temperature dependent sheet resistance behavior. Non-insulating disordered two dimensional granular films below a bulk critical temperature exhibit a fascinating linear relation

  10. Variation and modeling of ultraviolet auroral oval boundaries associated with interplanetary and geomagnetic parameters

    NASA Astrophysics Data System (ADS)

    Hu, Ze-Jun; Yang, Qiu-Ju; Liang, Ji-Min; Hu, Hong-Qiao; Zhang, Bei-Chen; Yang, Hui-Gen

    2017-04-01

    A large data set of auroral poleward/equatorward boundary, which are automatically identified from more than 60,000 images acquired by Polar ultraviolet imager, is used to study the variation of auroral boundaries associated with the interplanetary/geomagnetic environments and dynamic parameters of the magnetosphere. A total number of 3,805,000/1,215,000 points for poleward/equatorward boundary were identified from the data set. It is found that the poleward/equatorward boundaries show an equatorward movement with the increase of Kan-Lee electric field. The poleward/equatorward boundaries in the nightside sector (1800-0600 magnetic local time (MLT)) show an equatorward motion with the increase of the value of IMF By and the north-south electric field. The equatorward boundary (1800-0300 MLT) shows a quasi-linear equatorward displacement with the increase of solar wind dynamic pressure and speed. The poleward boundary (excluding midday sector) and equatorward boundary expand equatorward with the increase of AE index. The auroral oval boundary model with input parameters of the three components of IMF, solar wind speed and density, and AE is developed by using multivariate regression method. Evaluation of the model shows that the mean absolute deviation of the model in every MLT sector is 1.3-2.1° magnetic latitude (MLAT) for the poleward boundary and 1.3-2.5° MLAT for the equatorward boundary, respectively, when input parameters are within valid value coverage (three components of IMF are each from -8 to +8 nT, and the values of solar wind speed and density, and AE are not more than 550 km/s, 20/cm-3, and 520 nT, respectively).

  11. Optimization of urease immobilization onto non-porous HEMA incorporated poly(EGDMA) microbeads and estimation of kinetic parameters.

    PubMed

    Ayhan, F; Ayhan, H; Pişkin, E; Tanyolaç, A

    2002-01-01

    Jack bean urease (urea aminohydrolase, EC 3.5.1.5) was immobilized onto modified non-porous poly(ethylene glycol dimethacrylate/2-hydroxy ethylene methacrylate), (poly(EGDMA/HEMA)), microbeads prepared by suspension copolymerization for the potential use in hemoperfusion columns, not previously reported. The conditions of immobilization; enzyme concentration, medium pH, substrate and ethylene diamine tetra acetic acid (EDTA) presence in the immobilization medium in different concentrations, enzyme loading ratio, processing time and immobilization temperature were investigated for highest apparent activity. Immobilized enzyme retained 73% of its original activity for 75 days of repeated use with a deactivation constant kd = 3.72 x 10(-3) day(-1). A canned non-linear regression program was used to estimate the intrinsic kinetic parameters of immobilized enzyme with a low value of observable Thiele modulus (phi < 0.3) and these parameters were compared with those of free urease. The best-fit kinetic parameters of a Michaelis-Menten model were estimated as Vm = 3.318 x 10(-4) micromol/s mg bound enzyme protein, Km = 15.94 mM for immobilized, and Vm = 1.074 micromol NH3/s mg enzyme protein, Km = 14.49 mM for free urease. The drastic decrease in Vm value was attributed to steric effects, conformational changes in enzyme structure or denaturation of the enzyme during immobilization. Nevertheless, the change in Km value was insignificant for the unchanged affinity of the substrate with immobilization. For higher immobilized urease activity, smaller particle size and concentrated urease with higher specific activity could be used in the immobilization process.

  12. Batch Tests To Determine Activity Distribution and Kinetic Parameters for Acetate Utilization in Expanded-Bed Anaerobic Reactors

    PubMed Central

    Fox, Peter; Suidan, Makram T.

    1990-01-01

    Batch tests to measure maximum acetate utilization rates were used to determine the distribution of acetate utilizers in expanded-bed sand and expanded-bed granular activated carbon (GAC) reactors. The reactors were fed a mixture of acetate and 3-ethylphenol, and they contained the same predominant aceticlastic methanogen, Methanothrix sp. Batch tests were performed both on the entire reactor contents and with media removed from the reactors. Results indicated that activity was evenly distributed within the GAC reactors, whereas in the sand reactor a sludge blanket on top of the sand bed contained approximately 50% of the activity. The Monod half-velocity constant (Ks) for the acetate-utilizing methanogens in two expanded-bed GAC reactors was searched for by combining steady-state results with batch test data. All parameters necessary to develop a model with Monod kinetics were experimentally determined except for Ks. However, Ks was a function of the effluent 3-ethylphenol concentration, and batch test results demonstrated that maximum acetate utilization rates were not a function of the effluent 3-ethylphenol concentration. Addition of a competitive inhibition term into the Monod expression predicted the dependence of Ks on the effluent 3-ethylphenol concentration. A two-parameter search determined a Ks of 8.99 mg of acetate per liter and a Ki of 2.41 mg of 3-ethylphenol per liter. Model predictions were in agreement with experimental observations for all effluent 3-ethylphenol concentrations. Batch tests measured the activity for a specific substrate and determined the distribution of activity in the reactor. The use of steady-state data in conjunction with batch test results reduced the number of unknown kinetic parameters and thereby reduced the uncertainty in the results and the assumptions made. PMID:16348175

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

    SciTech Connect

    Pavlovitchev, A.M.

    2000-03-08

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

  14. Variations in the elemental ratio of organic matter in the central Baltic Sea: Part II - Sensitivities of annual mass flux estimates to model parameter variations

    NASA Astrophysics Data System (ADS)

    Kreus, Markus; Schartau, Markus

    2015-06-01

    This study describes a sensitivity analysis that allows the parameters of a one-dimensional ecosystem model to be ranked according to their specificity in determining biochemical key fluxes. Key fluxes of interest are annual (a) total production (TP), (b) remineralization above the halocline (RM), and (c) export at 50 m (EX) at the Baltic Sea monitoring site BY15 located in the Gotland Deep basin. The model resolves mass flux of carbon (C), nitrogen (N), and phosphorous (P), while considering nitrogen fixation explicitly. Our first null hypothesis is that the variation of the value of every single model parameter affects each annual C, N, and P budget simultaneously. Our second null hypothesis states that the variation of every parameter value induces changes at least in either of the annual C, N or P budgets. Our analyses falsify both null hypotheses and reveal that 8 out of 36 parameters must be regarded redundant, as their variation neither alter annual key fluxes nor produce considerable time-shifts in model trajectories at the respective site. Seven parameters were found to induce substantial changes in annual C, N, and P flux estimates simultaneously. The assimilation efficiency of zooplankton turned out to be of vital importance. This parameter discriminates between the assimilation and destruction of algal prey during grazing. The fraction of unassimilated dead algal cells is critical for the amount of organic matter exported out of the euphotic zone. The maximum cellular N:C quota of diazotrophs and the degradation/hydrolysis rate of detrital carbon are two parameters that will likely remain unconstrained by time series data, but both affect the annual C budget considerably. Overall, our detailed specification of model sensitivities to parameter variations will facilitate the formulation of a well-posed inverse problem for the estimation of C, N and P fluxes from stock observations at the Gotland Deep.

  15. Boron Combustion Model Development with Kinetic Sensitivity Analysis and Measurement of Key Chemical Rate Parameters

    DTIC Science & Technology

    1991-01-01

    radius) spherical particle. This code uses a non-linear, implicit partial differential equation solver with fully automatic time step/ mode control... avk aa. as. at at ~ at-1 ) , (2-36)I j=1 I 2-15 I which implies that the approximate solution v is a function of both the amplitudes, akj, and the...nodal positions sj. The basis functions aj and Okj are defined by Ia -av k (2-37) avk I k _avk k - 8v (2-38) j as. With the temporal variation of v

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

    PubMed

    Pitakpoolsil, Wipawan; Hunsom, Mali

    2014-01-15

    The possibility of using commercial chitosan flakes as an adsorbent for the removal of pollutants from biodiesel wastewater was evaluated. The effect of varying the adsorption time (0.5-5 h), initial wastewater pH (2-8), adsorbent dose (0.5-5.5 g/L) and mixing rate (120-350 rpm) on the efficiency of pollutant removal was explored by univariate analysis. Under the derived optimal conditions, greater than 59.3%, 87.9% and 66.2% of the biological oxygen demand (BOD), chemical oxygen demand (COD) and oil & grease, respectively, was removed by a single adsorption. Nevertheless, the remaining BOD, COD and oil & grease were still higher than the acceptable Thai government limits for discharge into the environment. When the treatment was repeated, a greater than 93.6%, 97.6% and 95.8% removal of the BOD, COD and oil & grease, respectively, was obtained. The reusability of commercial chitosan following NaOH washing (0.05-0.2 M) was not suitable, with less than 40% efficiency after just one recycling and declining rapidly thereafter. The adsorption kinetics of all pollutant types by the commercial chitosan flakes was controlled by a mixed process of diffusion and adsorption of the pollutants during the early treatment period (0-1.5 h) and then solely controlled by adsorption after 2 h. Copyright © 2013 Elsevier Ltd. All rights reserved.

  17. Temperature Effects on Kinetic Parameters and Substrate Affinity of Cel7A Cellobiohydrolases*

    PubMed Central

    Sørensen, Trine Holst; Cruys-Bagger, Nicolaj; Windahl, Michael Skovbo; Badino, Silke Flindt; Borch, Kim; Westh, Peter

    2015-01-01

    We measured hydrolytic rates of four purified cellulases in small increments of temperature (10–50 °C) and substrate loads (0–100 g/liter) and analyzed the data by a steady state kinetic model that accounts for the processive mechanism. We used wild type cellobiohydrolases (Cel7A) from mesophilic Hypocrea jecorina and thermophilic Rasamsonia emersonii and two variants of these enzymes designed to elucidate the role of the carbohydrate binding module (CBM). We consistently found that the maximal rate increased strongly with temperature, whereas the affinity for the insoluble substrate decreased, and as a result, the effect of temperature depended strongly on the substrate load. Thus, temperature had little or no effect on the hydrolytic rate in dilute substrate suspensions, whereas strong temperature activation (Q10 values up to 2.6) was observed at saturating substrate loads. The CBM had a dual effect on the activity. On one hand, it diminished the tendency of heat-induced desorption, but on the other hand, it had a pronounced negative effect on the maximal rate, which was 2-fold larger in variants without CBM throughout the investigated temperature range. We conclude that although the CBM is beneficial for affinity it slows down the catalytic process. Cel7A from the thermophilic organism was moderately more activated by temperature than the mesophilic analog. This is in accord with general theories on enzyme temperature adaptation and possibly relevant information for the selection of technical cellulases. PMID:26183777

  18. Chemical mechanism of lysophosphatidylcholine: lysophosphatidylcholine acyltransferase from rabbit lung. pH-dependence of kinetic parameters.

    PubMed Central

    Pérez-Gil, J; Martín, J; Acebal, C; Arche, R

    1990-01-01

    Lysophosphatidylcholine: lysophosphatidylcholine acyltransferase is an enzyme that catalyses two reactions: hydrolysis of lysophosphatidylcholine and transacylation between two molecules of lysophosphatidylcholine to give disaturated phosphatidylcholine. Following the kinetic model previously proposed for this enzyme [Martín, Pérez-Gil, Acebal & Arche (1990) Biochem. J. 266, 47-53], the values of essential pK values in free enzyme and substrate-enzyme complexes have now been determined. The chemical mechanism of catalysis was dependent on the deprotonation of a histidine residue with pK about 5.7. This result was supported by the perturbation of pK values by addition of organic solvent. Very high and exothermic enthalpy of ionization was measured, indicating that a conformational re-arrangement in the enzyme accompanies the ionization of the essential histidine residue. These results, as well as the results from previous studies, enabled the proposal of a chemical mechanism for the enzymic reactions catalysed by lysophosphatidylcholine: lysophosphatidylcholine acyltransferase from rabbit lung. PMID:2241908

  19. Estimating enzyme kinetic parameters: a computer program for linear regression and non-parametric analysis.

    PubMed

    Brooks, S P; Suelter, C H

    1986-09-01

    An IBM computer program, WILMAN4, is described which calculates the estimates, Km, V and Km/V from initial velocity measurements according to one of four statistical methods. Three of these methods involve linear regression analysis using weights given by assuming: (i) constant absolute error (G.N. Wilkinson, 1961, Biochem J., 80, 324-332), (ii) constant relative error (G. Johansen and R. Lumry, 1961, C.R. Trav. Lab. Carlsberg, 32, 185-214) and (iii) an error function in between the above two cases. (A. Cornish-Bowden, 1976, Principles of Enzyme Kinetics, Butterworths Inc, Boston, Mass., pp. 168-193). The fourth method is a non-parametric procedure derived by Eisenthal and Cornish-Bowden (Biochim. Biophys. Acta, 532 (1974) 268-272). Residuals are obtained by subtracting the experimental and the calculated velocities. Outliers, or residuals which are greater than two experimental standard deviations, can be identified and removed from the data set. If the sequence of positive and negative signs of the residuals is random as determined by a statistical probability calculation, the data set is assumed to obey the Michaelis-Menten equation.

  20. Immobilization of denatured DNA to macroporous supports: II. Steric and kinetic parameters of heterogeneous hybridization reactions.

    PubMed Central

    Bünemann, H

    1982-01-01

    The accessibility of immobilized DNA has been shown to depend more crucially on the method of immobilization than on the type of support used for fixation. When sonicated denatured DNA is coupled via diazotization or via cyanogen bromide reaction to solid Sephadex G-25 and Cellex 410 or to macroporous Sephacryl S-500 and Sepharose C1-6B its accessibility varies from 100 to 24 percent. Generally the loss of accessibility is linked to a depression of the melting temperature of DNA helices formed on the support. This correlation shows a characteristic course for a particular coupling method. DNA coupled under denaturing conditions may become totally inaccessible when only 3 percent of its bases are involved in the covalent linkage. Kinetic experiments with sonicated E.coli DNA have shown that the rate constants for renaturation or hybridization reactions are very similar for DNA immobilized by different methods to solid or macroporous supports. Generally the second order rate constant for a heterogeneous reaction (between mobile and immobilized DNA) is about one order of magnitude smaller than that of the analogous homogeneous reaction (in solution). PMID:6185922

  1. Ethylene vinyl acetate based radiation grafted hydrophilic matrices: Process parameter standardization, grafting kinetics and characterization

    NASA Astrophysics Data System (ADS)

    Chaudhari, C. V.; Mondal, R. K.; Dubey, K. A.; Grover, V.; Panicker, L.; Bhardwaj, Y. K.; Varshney, L.

    2016-08-01

    A transparent, elastomeric, grafted matrix for several potential applications was synthesized by single-step simultaneous radiation grafting of methacrylic acid onto ethylene vinyl acetate (EVA). CuSO4 was found to be the most suitable homo-polymerization inhibitor among different inhibitors tried. The grafting kinetics was found to be a strong function of dose rate (D) and monomer content (M) and an equation relating grafting rate Rg=Kg [M]1.13D0.23 was deduced. Crystallinity of the grafted matrices as assessed from XRD and DSC measurements indicated decrease in crystalline content with increase in grafting yield, suggesting crystalline domain of EVA get disrupted on grafting. Elastic modulus increased linearly with the increase in grafting yield, though elongation at break decreased precipitously from 900% to 30% at even ~9% grafting. Thermo-gravimetric analysis showed three step weight loss of the grafted EVA matrix. The grafting of MAA resulted in increase in surface energy mainly due to enhanced polar component.

  2. Kinetic parameters and mode of action of the cellobiohydrolases produced by Talaromyces emersonii.

    PubMed

    Tuohy, Maria G; Walsh, Daniel J; Murray, Patrick G; Claeyssens, Marc; Cuffe, Michelle M; Savage, Angela V; Coughlan, Michael P

    2002-04-29

    Three forms of cellobiohydrolase (EC 3.2.1.91), CBH IA, CBH IB and CBH II, were isolated to apparent homogeneity from culture filtrates of the aerobic fungus Talaromyces emersonii. The three enzymes are single sub-unit glycoproteins, and unlike most other fungal cellobiohydrolases are characterised by noteworthy thermostability. The kinetic properties and mode of action of each enzyme against polymeric and small soluble oligomeric substrates were investigated in detail. CBH IA, CBH IB and CBH II catalyse the hydrolysis of microcrystalline cellulose, albeit to varying extents. Hydrolysis of a soluble cellulose derivative (CMC) and barley 1,3;1,4-beta-D-glucan was not observed. Cellobiose (G2) is the main reaction product released by CBH IA, CBH IB, and CBH II from microcrystalline cellulose. All three CBHs are competitively inhibited by G2; inhibition constant values (K(i)) of 2.5 and 0.18 mM were obtained for CBH IA and CBH IB, respectively (4-nitrophenyl-beta-cellobioside as substrate), while a K(i) of 0.16 mM was determined for CBH II (2-chloro-4-nitrophenyl-beta-cellotrioside as substrate). Bond cleavage patterns were determined for each CBH on 4-methylumbelliferyl derivatives of beta-cellobioside and beta-cellotrioside (MeUmbG(n)). While the Tal. emersonii CBHs share certain properties with their counterparts from Trichoderma reesei, Humicola insolens and other fungal sources, distinct differences were noted.

  3. Immobilization of denatured DNA to macroporous supports: II. Steric and kinetic parameters of heterogeneous hybridization reactions.

    PubMed

    Bünemann, H

    1982-11-25

    The accessibility of immobilized DNA has been shown to depend more crucially on the method of immobilization than on the type of support used for fixation. When sonicated denatured DNA is coupled via diazotization or via cyanogen bromide reaction to solid Sephadex G-25 and Cellex 410 or to macroporous Sephacryl S-500 and Sepharose C1-6B its accessibility varies from 100 to 24 percent. Generally the loss of accessibility is linked to a depression of the melting temperature of DNA helices formed on the support. This correlation shows a characteristic course for a particular coupling method. DNA coupled under denaturing conditions may become totally inaccessible when only 3 percent of its bases are involved in the covalent linkage. Kinetic experiments with sonicated E.coli DNA have shown that the rate constants for renaturation or hybridization reactions are very similar for DNA immobilized by different methods to solid or macroporous supports. Generally the second order rate constant for a heterogeneous reaction (between mobile and immobilized DNA) is about one order of magnitude smaller than that of the analogous homogeneous reaction (in solution).

  4. Electrochemical oxidation of an azo dye in aqueous media investigation of operational parameters and kinetics.

    PubMed

    Parsa, J Basiri; Rezaei, M; Soleymani, A R

    2009-09-15

    In this research two types of electrochemical reactors for the treatment of simulated wastewaters containing Direct blue 71 azo dye (DB71) were used: (1) Laboratory scale undivided electrolysis cell system (450 mL volume) with one 2 cm x 2 cm platinum plate as the anode placed in the middle of the cell and two 2 cm x 8 cm steel plates (SS-304) as cathodes placed in the sides of the cell 2 cm from the central anode. (2) Pilot scale reactor (9L volume), equipped with two 3 cm x 23 cm stainless steel plates as anode and cathode, with distance of 3 cm apart. The influence of supporting electrolyte, applied voltage and pH were studied. The UV-vis spectra of samples during the electrochemical oxidation showed the rapid decolorization of the dye solution. During the process, the COD and current were measured in order to evaluate the degree of mineralization, energy consumption, current and anode efficiencies. The optimum supporting electrolyte and applied voltage were NaCl (5 g L(-1)) and 15 V. Using the lab scale reactor resulted in complete decolorization and mineralization of the dye solutions after ca. 90 and 120 min, respectively. Similar results were obtained using the pilot plant reactor under the same conditions. The good fit of the data to pseudo-first-order kinetics for COD removal at all applied voltages (except 20 V) was taken as proof of the involvement of indirect oxidation pathways in the process.

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

    PubMed

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

    2016-01-01

    Gene expression dynamics in prokaryotes is largely controlled by the multi-step process of transcription initiation whose kinetics is subject to regulation. Since the number and duration of these steps cannot be currently measured in vivo, we propose a novel method for estimating them from time series of RNA numbers in individual cells. We demonstrate the method's applicability on measurements of fluorescence-tagged RNA molecules in Escherichia coli cells, and compare with a previous method. We show that the results of the two methods agree for equal data. We also show that, when incorporating additional data, the new method produces significantly different estimates, which are in closer agreement with qPCR measurements. Unlike the previous method, the new method requires no preprocessing of the RNA numbers, using maximal information from the RNA time series. In addition, it can use data outside of the observed RNA productions. Overall, the new method characterizes the transcription initiation process with enhanced detail. Copyright © 2015 Elsevier Inc. All rights reserved.

  6. Visualization and Curve-Parameter Estimation Strategies for Efficient Exploration of Phenotype Microarray Kinetics

    PubMed Central

    Vaas, Lea A. I.; Sikorski, Johannes; Michael, Victoria; Göker, Markus; Klenk, Hans-Peter

    2012-01-01

    Background The Phenotype MicroArray (OmniLog® PM) system is able to simultaneously capture a large number of phenotypes by recording an organism's respiration over time on distinct substrates. This technique targets the object of natural selection itself, the phenotype, whereas previously addressed ‘-omics’ techniques merely study components that finally contribute to it. The recording of respiration over time, however, adds a longitudinal dimension to the data. To optimally exploit this information, it must be extracted from the shapes of the recorded curves and displayed in analogy to conventional growth curves. Methodology The free software environment R was explored for both visualizing and fitting of PM respiration curves. Approaches using either a model fit (and commonly applied growth models) or a smoothing spline were evaluated. Their reliability in inferring curve parameters and confidence intervals was compared to the native OmniLog® PM analysis software. We consider the post-processing of the estimated parameters, the optimal classification of curve shapes and the detection of significant differences between them, as well as practically relevant questions such as detecting the impact of cultivation times and the minimum required number of experimental repeats. Conclusions We provide a comprehensive framework for data visualization and parameter estimation according to user choices. A flexible graphical representation strategy for displaying the results is proposed, including 95% confidence intervals for the estimated parameters. The spline approach is less prone to irregular curve shapes than fitting any of the considered models or using the native PM software for calculating both point estimates and confidence intervals. These can serve as a starting point for the automated post-processing of PM data, providing much more information than the strict dichotomization into positive and negative reactions. Our results form the basis for a freely

  7. Characterization of Nicotinamidases: Steady-State Kinetic Parameters, Class-wide Inhibition by Nicotinaldehydes and Catalytic Mechanism†

    PubMed Central

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

    2010-01-01

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

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

    PubMed

    Blagojević, Slavica M; Anić, Slobodan R; Cupić, Zeljko D; Pejić, Natasa D; Kolar-Anić, Ljiljana Z

    2008-11-28

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

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

    PubMed

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

    2015-05-01

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

  10. 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

  11. Analysis of variation in calibration curves for Kodak XV radiographic film using model-based parameters.

    PubMed

    Hsu, Shu-Hui; Kulasekere, Ravi; Roberson, Peter L

    2010-08-05

    Film calibration is time-consuming work when dose accuracy is essential while working in a range of photon scatter environments. This study uses the single-target single-hit model of film response to fit the calibration curves as a function of calibration method, processor condition, field size and depth. Kodak XV film was irradiated perpendicular to the beam axis in a solid water phantom. Standard calibration films (one dose point per film) were irradiated at 90 cm source-to-surface distance (SSD) for various doses (16-128 cGy), depths (0.2, 0.5, 1.5, 5, 10 cm) and field sizes (5 × 5, 10 × 10 and 20 × 20 cm²). The 8-field calibration method (eight dose points per film) was used as a reference for each experiment, taken at 95 cm SSD and 5 cm depth. The delivered doses were measured using an Attix parallel plate chamber for improved accuracy of dose estimation in the buildup region. Three fitting methods with one to three dose points per calibration curve were investigated for the field sizes of 5 × 5, 10 × 10 and 20 × 20 cm². The inter-day variation of model parameters (background, saturation and slope) were 1.8%, 5.7%, and 7.7% (1 σ) using the 8-field method. The saturation parameter ratio of standard to 8-field curves was 1.083 ± 0.005. The slope parameter ratio of standard to 8-field curves ranged from 0.99 to 1.05, depending on field size and depth. The slope parameter ratio decreases with increasing depth below 0.5 cm for the three field sizes. It increases with increasing depths above 0.5 cm. A calibration curve with one to three dose points fitted with the model is possible with 2% accuracy in film dosimetry for various irradiation conditions. The proposed fitting methods may reduce workload while providing energy dependence correction in radiographic film dosimetry. This study is limited to radiographic XV film with a Lumisys scanner.

  12. Physical parameters and orbital period variation of a newly discovered cataclysmic variable GSC 4560-02157

    NASA Astrophysics Data System (ADS)

    Han, Zhong-Tao; Qian, Sheng-Bang; Voloshina, Irina; Metlov, Vladimir G.; Zhu, Li-Ying; Li, Lin-Jia

    2016-10-01

    GSC 4560-02157 is a new eclipsing cataclysmic variable with an orbital period of 0.265359 days. By using the published V - and R - band data together with our observations, we discovered that the O - C curve of GSC 4560-02157 may show a cyclic variation with a period of 3.51 years and an amplitude of 1.40 min. If this variation is caused by a light travel-time effect via the existence of a third body, then its mass can be derived as M 3 sin i' ≈ 91.08 M Jup, and it should be a low-mass star. In addition, several physical parameters were measured. The color of the secondary star was determined to be V - R = 0.77(±0.03) which corresponds to a spectral type of K2-3. The secondary star's mass was estimated as M 2 = 0.73(±0.02) M ⊙ by combing the derived V - R value around phase 0 with the assumption that it obeys the mass-luminosity relation for main sequence stars. This mass is consistent with the mass—period relation for CV donor stars. For the white dwarf, the eclipse durations and contacts of the white dwarf yield an upper limit on the white dwarf's radius corresponding to a lower limit on mass of M 1 ≈ 0.501 M ⊙. The overestimated radius and previously published spectral data indicate that the boundary layer may have a very high temperature.

  13. The eye lens: age-related trends and individual variations in refractive index and shape parameters

    PubMed Central

    Pierscionek, Barbara; Bahrami, Mehdi; Hoshino, Masato; Uesugi, Kentaro; Regini, Justyn; Yagi, Naoto

    2015-01-01

    The eye lens grows throughout life by cell accrual on its surface and can change shape to adjust the focussing power of the eye. Varying concentrations of proteins in successive cell layers create a refractive index gradient. The continued growth of the lens and age-related changes in proteins render it less able to alter shape with loss of capacity by the end of the sixth decade of life. Growth and protein ageing alter the refractive index but as accurate measurement of this parameter is difficult, the nature of such alterations remains uncertain. The most accurate method to date for measuring refractive index in intact lenses has been developed at the SPring-8 synchrotron. The technique, based on Talbot interferometry, has an X-ray source and was used to measure refractive index in sixty-six human lenses, aged from 16 to 91 years. Height and width were measured for forty-five lenses. Refractive index contours show decentration in some older lenses but individual variations mask age-related trends. Refractive index profiles along the optic axis have relatively flat central sections with distinct micro-fluctuations and a steep gradient in the cortex but do not exhibit an age-related trend. The refractive index profiles in the equatorial aspect show statistical significance with age, particularly for lenses below the age of sixty that had capacity to alter shape in vivo. The maximum refractive index in the lens centre decreases slightly with age with considerable scatter in the data and there are age-related variations in sagittal thickness and equatorial height. PMID:26416418

  14. Phenol biodegradation in a batch jet loop bioreactor (JLB): kinetics study and pH variation.

    PubMed

    Ucun, Handan; Yildiz, Ergun; Nuhoglu, Alper

    2010-05-01

    Phenol biodegradation in a batch jet loop bioreactor (JLB) using activated sludge was investigated. The biodegradation experiments were conducted at different phenol concentrations (S(0)) from 50 to 1000 mg/l. The results of the biodegradation of phenol by JLB show that a good phenol removal of 100%. The biodegradation capacity of the JLB was higher than that of the stirred tank reactor reported in literatures. The Haldane equation was adopted in order to describe the relation between the specific growth rates (micro) and S(0). Kinetic constants of Haldane equation were micro(m) = 0.119 1/h, K(s) = 11.13 mg/l and K(i) = 250.88 mg/l. Model equations were simulated using the MATHCAD 7.0 software's ordinary differential equation solver. Simulations were performed at each experiment with different initial phenol concentrations. Copyright 2009 Elsevier Ltd. All rights reserved.

  15. Effects of Chain Parameters on Kinetics of Photochromism in Acrylic-Spiropyran Copolymer Nanoparticles and Their Reversible Optical Data Storage.

    PubMed

    Sharifian, Mohammad Hossain; Mahdavian, Ali Reza; Salehi-Mobarakeh, Hamid

    2017-08-15

    Chemical bonding between photochromic compounds and polymer matrices will induce several consitions such as photostability, photoreversibility, elimination of dye aggregation, and undesirable negative photochromism. In such polymeric systems, the switching rate and photoisomerization are closely dependent on several parameters like chain flexibility, steric restrictions, polarity, and even proticity of the surrounding medium. Here, copolymerization of a synthesized spiropyran-based monomer with butyl acrylate (BA) and methyl methacrylate (MMA) comonomers was carried out with various compositions of MMA and BA through emulsion polymerization, and the corresponding photoisomerization kinetics were studied. Particle sizes and their distributions were analyzed by dynamic light scattering, and morphologies were investigated by scanning and transmission electron microscopic analyses. The results showed the particles are spherical with diameter 62-82 nm. Differential scanning calorimetric thermograms were employed to determine Tg of the prepared copolymers, which ranged from -23 to 93 °C. The kinetics of photoisomerization was then studied by UV-vis spectroscopy. Finally, a latex containing spiropyran/acrylic copolymer with Tg of about 0 °C and optimum rate of coloration and decoloration was considered in reversible optical data storage studies due to its fast photochromism and good film-formation properties.

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

    PubMed

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

    2014-02-01

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

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

    PubMed

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

    2009-04-01

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

  18. Oxidation pathways for ozonation of azo dyes in a semi-batch reactor: a kinetic parameters approach.

    PubMed

    Lopez, A; Benbelkacem, H; Pic, J S; Debellefontaine, H

    2004-03-01

    In this study ozone and the H2O2/O3 oxidation system are used to decolorize aqueous solutions of Orange II (Or-II) and Acid Red 27 (AR-27). Investigations are carried out in a semi-batch bubble column reactor. A system of series-parallel reactions is proposed to describe the mechanism of dye oxidation. The stoichiometric ratio for the first reaction is found to be 1 mol dye per mol O3, while the overall ozone demand for both reactions one and two is found to be 5 and 6 moles for Or-II and AR-27 respectively. Molecular and radical kinetics are compared: a radical scavenger, t-butanol, can be added to ensure only the molecular reaction of ozone, or hydrogen peroxide can be supplied through a peristaltic pump, to initiate radical reactivity. Results reveal that colour removal is ensured by direct ozone attack. For both dyes, TOC removal efficiencies of 50 - 60 % are obtained by the action of the hydroxyl free radical. However, this is not improved by addition of H2O2, thus demonstrating that organic species alone ensure HO degrees radical production during ozonation. Both the mass transfer and the ozone reactivity with the dyes are considered to evaluate the kinetic parameters for the molecular pathway.

  19. Effect of soil parameters on the kinetics of the displacement of Fe from FeEDDHA chelates by Cu.

    PubMed

    Schenkeveld, Walter D C; Reichwein, Arjen M; Temminghoff, Erwin J M; van Riemsdijk, Willem H

    2012-06-28

    In soil application, o,o-FeEDDHA (iron (3+) ethylene diamine-N,N'-bis(2-hydroxy phenyl acetic acid) complex) is the active ingredient of FeEDDHA chelate-based Fe fertilizers. The effectiveness of o,o-FeEDDHA is potentially compromised by the displacement of Fe from FeEDDHA by Cu. The actual impact of Cu competition is codetermined by the kinetics of the displacement reaction. In this study, the influence of soil parameters on the displacement kinetics has been examined in goethite suspensions. The displacement reaction predominantly takes place on the reactive surface rather than in solution. The rate at which the o,o-FeEDDHA concentration declined depended on the available reactive surface area, the Cu loading, and the FeEDDHA loading. Soil factors reducing FeEDDHA adsorption (high ionic strength, humic acid adsorption onto the goethite surface, and monovalent instead of divalent cations in the electrolyte) decreased the displacement rate. For meso o,o-FeEDDHA, the displacement rate equation was derived, which is first order in FeEDDHA loading and half order in Cu loading. For soil conditions, the equation can be simplified to an exponential decay function in meso o,o-FeEDDHA solution concentration.

  20. A stochastic formulation of the gompertzian growth model for in vitro bactericidal kinetics: parameter estimation and extinction probability.

    PubMed

    Ferrante, L; Bompadre, S; Leone, L; Montanari, M P

    2005-06-01

    Time-kill curves have frequently been employed to study the antimicrobial effects of antibiotics. The relevance of pharmacodynamic modeling to these investigations has been emphasized in many studies of bactericidal kinetics. Stochastic models are needed that take into account the randomness of the mechanisms of both bacterial growth and bacteria-drug interactions. However, most of the models currently used to describe antibiotic activity against microorganisms are deterministic. In this paper we examine a stochastic differential equation representing a stochastic version of a pharmacodynamic model of bacterial growth undergoing random fluctuations, and derive its solution, mean value and covariance structure. An explicit likelihood function is obtained both when the process is observed continuously over a period of time and when data is sampled at time points, as is the custom in these experimental conditions. Some asymptotic properties of the maximum likelihood estimators for the model parameters are discussed. The model is applied to analyze in vitro time-kill data and to estimate model parameters; the probability of the bacterial population size dropping below some critical threshold is also evaluated. Finally, the relationship between bacterial extinction probability and the pharmacodynamic parameters estimated is discussed.

  1. Non-Linear Problems in NMR: Application of the DFM Variation of Parameters Method

    NASA Astrophysics Data System (ADS)

    Erker, Jay Charles

    This Dissertation introduces, develops, and applies the Dirac-McLachlan-Frenkel (DFM) time dependent variation of parameters approach to Nuclear Magnetic Resonance (NMR) problems. Although never explicitly used in the treatment of time domain NMR problems to date, the DFM approach has successfully predicted the dynamics of optically prepared wave packets on excited state molecular energy surfaces. Unlike the Floquet, average Hamiltonian, and Van Vleck transformation methods, the DFM approach is not restricted by either the size or symmetry of the time domain perturbation. A particularly attractive feature of the DFM method is that measured data can be used to motivate a parameterized trial function choice and that the DFM theory provides the machinery to provide the optimum, minimum error choices for these parameters. Indeed a poor parameterized trial function choice will lead to a poor match with real experiments, even with optimized parameters. Although there are many NMR problems available to demonstrate the application of the DFM variation of parameters, five separate cases that have escaped analytical solution and thus require numerical methods are considered here: molecular diffusion in a magnetic field gradient, radiation damping in the presence of inhomogeneous broadening, multi-site chemical exchange, and the combination of molecular diffusion in a magnetic field gradient with chemical exchange. The application to diffusion in a gradient is used as an example to develop the DFM method for application to NMR. The existence of a known analytical solution and experimental results allows for direct comparison between the theoretical results of the DFM method and Torrey's solution to the Bloch equations corrected for molecular diffusion. The framework of writing classical Bloch equations in matrix notation is then applied to problems without analytical solution. The second example includes the generation of a semi-analytical functional form for the free

  2. Kinetic Parameters for the Thermal Inactivation of Peroxidase and Lipoxygenase in Precooked Frozen Brassica Species.

    PubMed

    Pérez-Calderón, John; Califano, Alicia; Santos, María Victoria; Zaritzky, Noemí

    2017-06-01

    Thermal inactivation of peroxidase (POD) and lipoxygenase (LOX), both enzymes present in broccoli and Brussels sprouts, is required before freezing, to obtain high-quality precooked frozen vegetables. Rate constants of a 1st-order biphasic model for the heat-labile and heat-resistant POD and LOX isoenzymes were determined at different temperatures (75, 80, and 90 °C) and the corresponding activation energies were estimated using nonlinear regressions. In the case of Brussels sprouts, the activation energies for the resistant and labile fractions were 56.3 and 62.5 kJ/mol for POD and 63.7 and 65.8 kJ/mol for LOX, respectively. For Brussels sprouts, different precooking times were tested to analyze the effect of residual enzyme activity on quality parameters and sensory attributes, after a frozen storage of 4 mo at -20 °C. A significant reactivation of enzyme activity after frozen storage was observed (especially in the case of POD) for short precooking times (<6 min) leading to low-quality parameters at the interior zone of the vegetable. A precooking time of 6 min at 90 °C allowed an adequate inactivation of LOX and POD obtaining a high-quality final frozen vegetable. A sensory analysis confirmed the global acceptability of the product. The obtained results are relevant to define the precooking stage conditions in the production of frozen cruciferous vegetables. © 2017 Institute of Food Technologists®.

  3. Micropollutant biotransformation kinetics associate with WWTP process parameters and microbial community characteristics.

    PubMed

    Helbling, Damian E; Johnson, David R; Honti, Mark; Fenner, Kathrin

    2012-10-02

    The objective of this work was to identify relevant wastewater treatment plant (WWTP) parameters and underlying microbial processes that influence the biotransformation of a diverse set of micropollutants. To do this, we determined biotransformation rate constants for ten organic micropollutants in batch reactors seeded with activated sludge from ten diverse WWTPs. The estimated biotransformation rate constants for each compound ranged between one and four orders of magnitude among the ten WWTPs. The biotransformation rate constants were tested for statistical associations with various WWTP process parameters, amoA transcript abundance, and acetylene-inhibited monooxygenase activity. We determined that (i) ammonia removal associates with oxidative micropollutant biotransformation reaction rates; (ii) archaeal but not bacterial amoA transcripts associate with both ammonia removal and oxidative micropollutant biotransformation reaction rates; and (iii) the activity of acetylene-inhibited monooxygenases (including ammonia monooxygenase) associates with ammonia removal and the biotransformation rate of isoproturon, but does not associate with all oxidative micropollutant biotransformations. In combination, these results lead to the conclusion that ammonia removal and amoA transcript abundance can potentially be predictors of oxidative micropollutant biotransformation reactions, but that the biochemical mechanism is not necessarily linked to ammonia monooxygenase activity.

  4. 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.

  5. Thermoluminescence dosimetry properties and kinetic parameters of lithium potassium borate glass co-doped with titanium and magnesium oxides.

    PubMed

    Hashim, S; Alajerami, Y S M; Ramli, A T; Ghoshal, S K; Saleh, M A; Abdul Kadir, A B; Saripan, M I; Alzimami, K; Bradley, D A; Mhareb, M H A

    2014-09-01

    Lithium potassium borate (LKB) glasses co-doped with TiO2 and MgO were prepared using the melt quenching technique. The glasses were cut into transparent chips and exposed to gamma rays of (60)Co to study their thermoluminescence (TL) properties. The TL glow curve of the Ti-doped material featured a single prominent peak at 230 °C. Additional incorporation of MgO as a co-activator enhanced the TL intensity threefold. LKB:Ti,Mg is a low-Z material (Z(eff)=8.89) with slow signal fading. Its radiation sensitivity is 12 times lower that the sensitivity of TLD-100. The dose response is linear at doses up to 10(3) Gy. The trap parameters, such as the kinetics order, activation energy, and frequency factor, which are related to the glow peak, were determined using TolAnal software.

  6. 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.

  7. Influence of the silica module of pentasils on diffusion and kinetics parameters in the reaction of xylene isomerization

    SciTech Connect

    Yushchenko, V.V.; Romanovskii, B.V.

    1994-09-01

    The influence of the acidity of pentasils on the values of both kinetic and diffusion parameters of xylene isomerization is studied. True rate constants and activation energies for xylene isomerization, adsorption coefficients and heats of adsorption of active sites, diffusivities and activation energies for diffusion of o- and p-xylenes are measured for pentasils with the silica module (SiO{sub 2}/Al{sub 2}O{sub 3}) values ranging from 37 to 111. The rise in the module value leads to a decrease of catalytic activity. A noticeable fall in both activation energies and adsorption heats is observed only upon the module rise from 55 to 111. Diffusivities of xylenes decrease upon increasing of the module, but the change in diffusion activation energies is insignificant.

  8. Numerical investigation of the recrystallization kinetics by means of the KWC phase-field model with special order parameters

    NASA Astrophysics Data System (ADS)

    Kundin, Julia

    2017-06-01

    The present paper proposes an extension to the phase-field model of Kobayashi, Warren and Carter (KWC) as described in (Warren et al 2002 Acta Mater.) to incorporate the recrystallization process which occurs during heat treatments of alloy systems with predeformed defect structure. The standard KWC model is extended by an additional order parameter for recrystallized grains and describes the general results for the steady-state moving boundary. The simulation results of the initial grain growth and recrystallization process in various systems show that the extended phase-field model is able to describe the influence of the initial grain boundaries on the recrystallization kinetics and to incorporate the misorientation dependency of the low angle grain boundary mobility which strongly influences the orientation distribution in the resulting microstructure.

  9. Prediction of the relative probability and the kinetic parameters of bonds breakage in the molecules of palladium MOCVD precursors

    NASA Astrophysics Data System (ADS)

    Krasnov, Pavel O.; Mikhaleva, Natalia S.; Kuzubov, Aleksander A.; Nikolaeva, Natalia S.; Zharkova, Galina I.; Sheludyakova, Lilia A.; Morozova, Natalya B.; Basova, Tamara V.

    2017-07-01

    In this work, DFT calculations were carried out in order to compare the relative probability and the kinetic parameters of bonds breakage for the series of palladium β-diketonate derivatives, namely palladium β-ketoiminates with general formula Pd(R2sbnd C(NR1)sbnd CHsbnd COsbnd R3)2, where R1dbnd6 H, CH3; R2, R3dbnd6 CH3, CF3, C(CH3)3, C(CH3)2OCH3. Apart from this, a detailed assignment of the most intense bands in the IR spectra of the investigated palladium β-ketoiminate derivatives has been performed. As the result of performed calculations it was shown that Pdsbnd O and Pdsbnd N bonds have the highest probability of breakage in the case of all considered complexes, wherein the probability of breakage of Pdsbnd O bond is more than 3 times higher than that of Pdsbnd N bond.

  10. Kinetic parameters for 17alpha-ethinylestradiol removal by nitrifying activated sludge developed in a membrane bioreactor.

    PubMed

    Clouzot, L; Doumenq, P; Roche, N; Marrot, B

    2010-08-01

    The synthetic hormone 17alpha-ethinylestradiol (EE2) is primarily removed in wastewater treatment plants (WWTPs) by sorption, and nitrifying biomass has been shown to be responsible for EE2 biodegradation. Membrane bioreactor (MBR) technology was chosen to develop a community of autotrophic, nitrifying micro-organisms and determine kinetic parameters for EE2 biodegradation. Biological inhibition by azide was applied to differentiate sorption from biodegradation. Activated sludge (AS) was acclimated in the MBR to a substrate specific to autotrophic biomass and resulted in an increase in nitrifying activity. Acclimated AS was used to successfully biodegrade EE2 (11% increase in EE2 removal), and the overall removal of EE2 was determined to be 99% (sorption+biodegradation). AS used directly from a WWTP without acclimation removed EE2 only through sorption (88% removal of EE2). Therefore, higher nitrifying activity developed by acclimating AS allowed almost complete removal of EE2. Copyright 2010 Elsevier Ltd. All rights reserved.

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

    NASA Astrophysics Data System (ADS)

    Szaleniec, Maciej; Witko, Małgorzata; Tadeusiewicz, Ryszard; Goclon, Jakub

    2006-03-01

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

  12. Plasticity in extended phenotypes: orb web architectural responses to variations in prey parameters.

    PubMed

    Blamires, Sean J

    2010-09-15

    A spider orb web is an extended phenotype; it modifies and interacts with the environment, influencing spider physiology. Orb webs are plastic, responding to variations in prey parameters. Studies attempting to understand how nutrients influence spider orb-web plasticity have been hampered by the inability to decouple prey nutrients from other, highly correlated, prey factors and the intrinsic link between prey protein and prey energy concentration. I analyzed the nutrient concentrations of cockroaches, and adult and juvenile crickets to devise experiments that controlled prey protein concentration while varying prey size, ingested mass, energy concentration and feeding frequency of the orb web spider Argiope keyserlingi. I found that A. keyserlingi alters overall architecture according to feeding frequency. Decoration length was inversely related to ingested prey mass and/or energy density in one experiment but directly related to ingested prey mass in another. These contradictory results suggest that factors not examined in this study have a confounding influence on decoration plasticity. As decorations attract prey as well as predators decreasing decoration investment may, in some instances, be attributable to benefits no longer outweighing the risks. Web area was altered according to feeding frequency, and mesh size altered according to feeding frequency and prey length. The number of radii in orb webs was unaffected by prey parameters. A finite amount of silk can be invested in the orb web, so spiders trade-off smaller mesh size with larger web capture area, explaining why feeding frequency influenced both web area and mesh size. Mesh size is additionally responsive to prey size via sensory cues, with spiders constructing webs suitable for catching the most common or most profitable prey.

  13. Effects of 10-week eccentric overload training on kinetic parameters during change of direction in football players.

    PubMed

    de Hoyo, Moisés; Sañudo, Borja; Carrasco, Luis; Mateo-Cortes, Jesús; Domínguez-Cobo, Sergio; Fernandes, Orlando; Del Ojo, Juan J; Gonzalo-Skok, Oliver

    2016-07-01

    The aim of the current study was to analyse the effect of 10-week eccentric overload training on kinetic parameters during change of direction (COD) in U-19 football players. The outcome measured included relative peak braking (rPB) and propulsive force (rPF), contact time (CT), time spent during braking (BT) and propulsive phase (PT), relative total (rTOT_IMP), braking (rB_IMP) and propulsive (rP_IMP) impulses. Between-group results showed a substantial better improvement (likely) in CT (ES: 0.72) and BT (ES: 0.74) during side-step cutting, and in rPB (ES: 0.84) and rB_IMP (ES: 0.72) during crossover cutting, in the experimental group (EXP) in comparison to control group (CON). Within-group analysis showed a substantially better performance (likely to almost certain) in CT (ES: 1.19), BT (ES: 1.24), PT (ES: 0.70), rPB (ES: 0.75), rPF (ES: 0.68), rTOT_IMP (ES: 0.48) and rB_IMP (ES: 0.50) in EXP during side-step cutting. Regarding crossover cutting, within-group analysis showed a substantial better performance (likely to almost certain) in CT (ES: 0.75), rPB (ES: 0.75), rPF (ES: 1.34), rTOT_IMP (ES: 0.61), rB_IMP (ES: 0.76) and rP_IMP (ES: 0.46) in EXP. In conclusion, the eccentric overload-based programme led to an improvement in kinetic parameters during COD football tasks.

  14. Dynamic contrast-enhanced MR imaging kinetic parameters and molecular weight of dendritic contrast agents in tumor angiogenesis in mice.

    PubMed

    de Lussanet, Quido G; Langereis, Sander; Beets-Tan, Regina G H; van Genderen, Marcel H P; Griffioen, Arjan W; van Engelshoven, Jos M A; Backes, Walter H

    2005-04-01

    To evaluate the relationship between dynamic contrast agent-enhanced magnetic resonance (MR) imaging-derived kinetic parameters and contrast agents of equal chemical composition and configuration but with different molecular weights in a tumor angiogenesis model. This study was approved by the ethical review committee. Maintenance and care of animals was in compliance with guidelines set by the institutional animal care committee. Dynamic contrast-enhanced MR imaging was performed with dendritic contrast agents in 16 mice with tumor xenografts; mice were placed in groups of four for each molecular weight of the contrast agent. The magnitude and spatial distribution of kinetic parameters (transfer coefficient [K(PS)] and plasma fraction [f(PV)]) were compared with molecular weight of the contrast agent by determining the Spearman correlation coefficient (r) and the quantitative relationship between the endothelial K(PS) and molecular weight. Inverse relationships between molecular weight of contrast agent and K(PS) and f(PV) of tumor rim (r = -0.8, P < .001 and r = -0.5, P = .04, respectively) and core (r = -0.7, P = .004 and r = -0.6, P = .01, respectively) were observed. The quantitative relationship between K(PS) and molecular weight (MW) was K(PS) = 0.4/MW(0.44). A decreasing stepwise pattern in f(PV) was noted between contrast agents with low (0.7- and 3.0-kDa) molecular weight and those with high (12- and 51-kDa) molecular weight. Macromolecular permeability is best measured with high-molecular-weight contrast agents; endothelial K(PS) values measured with low-molecular-weight contrast agents incorporate tissue perfusion and permeability and demonstrate heterogeneous microcirculatory flow. (c) RSNA, 2005.

  15. Pharmacokinetic and Pharmacodynamic Parameters for Antimicrobial Effects of Cefotaxime and Amoxicillin in an In Vitro Kinetic Model

    PubMed Central

    Gustafsson, I.; Löwdin, E.; Odenholt, I.; Cars, O.

    2001-01-01

    An in vitro kinetic model was used to study the relation between pharmacokinetic and pharmacodynamic (PK-PD) parameters for antimicrobial effect, e.g., the time above MIC (T>MIC), maximum concentration in serum (Cmax), and area under the concentration-time curve (AUC). Streptococcus pyogenes and Escherichia coli were exposed to cefotaxime, and the activity of amoxicillin against four strains of Streptococcus pneumoniae with different susceptibilities to penicillin was studied. The drug elimination rate varied so that the T>MIC ranged from 20 to 100% during 24 h, while the AUC and/or the initial concentration (Cmax) were kept constant. For S. pyogenes and E. coli, the maximal antimicrobial effect (Emax) at 24 h occurred when the antimicrobial concentration exceeded the MIC for 50 and 80% of the strains tested, respectively. The penicillin-susceptible pneumococci (MIC, 0.03 mg/liter) and the penicillin-intermediate strain (MIC, 0.25 mg/liter) showed maximal killing by amoxicillin at a T>MIC of 50%. For a strain for which the MIC was 2 mg/liter, Cmax needed to be increased to achieve the Emax. Under the condition that Cmax was 10 times the MIC, Emax was obtained at a T>MIC of 60%, indicating that Cmax, in addition to T>MIC, may be an important parameter for antimicrobial effect on moderately penicillin-resistant pneumococci. For the strain for which the MIC was 4 mg/liter, the reduction of bacteria varied from −0.4 to −3.6 log10 CFU/ml at a T>MIC of 100%, despite an initial antimicrobial concentration of 10 times the MIC. Our studies have shown that the in vitro kinetic model is a useful complement to animal models for studying the PK-PD relationship for antimicrobial effect of antibiotics. PMID:11502511

  16. Dynamic determination of kinetic parameters, computer simulation, and probabilistic analysis of growth of Clostridium perfringens in cooked beef during cooling.

    PubMed

    Huang, Lihan

    2015-02-16

    The objective of this research was to develop a new one-step methodology that uses a dynamic approach to directly construct a tertiary model for prediction of the growth of Clostridium perfringens in cooked beef. This methodology was based on simultaneous numerical analysis and optimization of both primary and secondary models using multiple dynamic growth curves obtained under different conditions. Once the models were constructed, the bootstrap method was used to calculate the 95% confidence intervals of kinetic parameters, and a Monte Carlo simulation method was developed to validate the models using the growth curves not previously used in model development. The results showed that the kinetic parameters obtained from this study accurately matched the common characteristics of C. perfringens, with the optimum temperature being 45.3°C. The results also showed that the predicted growth curves matched accurately with experimental observations used in validation. The mean of residuals of the predictions is -0.02logCFU/g, with a standard deviation of only 0.23logCFU/g. For relative growths <1logCFU/g, the residuals of predictions are <0.4logCFU/g. Overall, 74% of the residuals of predictions are <0.2logCFU/g, 7.7% are >0.4logCFU/g, while only 1.5% are >0.8logCFU/g. In addition, the dynamic model also accurately predicted four isothermal growth curves arbitrarily chosen from the literature. Finally, the Monte Carlo simulation was used to provide the probability of >1 and 2logCFU/g relative growths at the end of cooling. The results of this study will provide a new and accurate tool to the food industry and regulatory agencies to assess the safety of cooked beef in the event of cooling deviation.

  17. The influence of dose on the kinetic parameters and dosimetric features of the main thermoluminescence glow peak in α-Al2O3:C,Mg

    NASA Astrophysics Data System (ADS)

    Kalita, J. M.; Chithambo, M. L.

    2017-03-01

    The influence of dose (0.1-100 Gy) on the kinetic parameters and the dosimetric features of the main glow peak of α-Al2O3:C,Mg have been investigated. Thermoluminescence (TL) measured at 1 °C/s shows a very high intensity glow peak at 161 °C and six secondary peaks at 42, 72, 193, 279, 330, 370 °C respectively. Analysis shows that the main peak follows first order kinetics irrespective of the irradiation dose. The activation energy is found to be consistent at 1.37 eV and the frequency factor is of the order of 1014 s-1 for any dose between 0.1 and 100 Gy. Further, the analysis for thermal quenching of the main peak of 0.1 Gy irradiated sample shows that the activation energy for thermal quenching is (0.94 ± 0.04) eV. Regarding the dosimetric features of α-Al2O3:C,Mg, the dose response of the main peak is superlinear within 0.1 to 30 Gy of beta dose and then it becomes sublinear up to 100 Gy. Fading analysis shows that the intensity of the main peak drops to ∼22% of its initial value within 2400 s after irradiation and thereafter to ∼14% within 64,800 s. Analysis of the reproducibility shows that the coefficient of variation in the results for 10 identical TL measurements show that reproducibility improves with increase in dose.

  18. On the design of optimal dynamic experiments for parameter estimation of a Ratkowsky-type growth kinetics at suboptimal temperatures.

    PubMed

    Bernaerts, K; Versyck, K J; Van Impe, J F

    2000-03-10

    It is generally known that accurate model building, i.e., proper model structure selection and reliable parameter estimation, constitutes an essential matter in the field of predictive microbiology, in particular, when integrating these predictive models in food safety systems. In this context, Versyck et al. (1999) have introduced the methodology of optimal experimental design techniques for parameter estimation within the field. Optimal experimental design focuses on the development of optimal input profiles such that the resulting rich (i.e., highly informative) experimental data enable unique model parameter estimation. As a case study, Versyck et al. (1999) [Versyck, K., Bernaerts, K., Geeraerd, A.H., Van Impe, J.F., 1999. Introducing optimal experimental design in predictive modeling: a motivating example. Int. J. Food Microbiol., 51(1), 39-51] have elaborated the estimation of Bigelow inactivation kinetics parameters (in a numerical way). Opposed to the classic (static) experimental approach in predictive modelling, an optimal dynamic experimental setup is presented. In this paper, the methodology of optimal experimental design or parameter estimation is applied to obtain uncorrelated estimates of the square root model parameters [Ratkowsky, D.A., Olley, J., McMeekin, T.A., Ball, A., 1982. Relationship between temperature and growth rate of bacterial cultures. J. Bacteriol. 149, 1-5] describing the effect of suboptimal growth temperatures on the maximum specific growth rate of microorganisms. These estimates are the direct result of fitting a primary growth model to cell density measurements as a function of time. Apart from the design of an optimal time-varying temperature profile based on a sensitivity study of the model output, an important contribution of this publication is a first experimental validation of this innovative dynamic experimental approach for uncorrelated parameter identification. An optimal step temperature profile, within the range of

  19. Estimation of Hoffman-Lauritzen parameters from nonisothermal crystallization kinetics of PET/MWCNT nanocomposites

    SciTech Connect

    Gaonkar, Amita Murudkar, Vrishali Deshpande, V. D.

    2016-05-06

    Polyethylene terephthalate (PET) and Nucleated PET/ multi-walled carbon nanotubes (MWCNTs) nanocomposites with different MWCNTs loadings were prepared by melt compounding. The influence of the addition of MWCNTs and precipitated PET (p-PET) on the morphology and thermal properties of the nanocomposites was investigated. From Transmission Electronic Microscopy (TEM) and Wide angle X-Ray diffraction (WAXD) study, it can be clearly seen that nanocomposites with low MWCNTs contents (0.1 wt. %) get better MWCNTs dispersion than higher MWCNT loading. Comparing with PET, nucleated PET nanocomposite with 0.1% MWCNT loading shows higher value of Lauritzen-Hoffman parameters U* and Kg evaluated using the differential isoconversional method. Crystallization regime transition temperature range shifts to higher temperature (208°C - 215°C) for nanocomposites. The presence of p-PET in addition of MWCNT, which act as good nucleating agent, enhanced the crystallization of PET through heterogeneous nucleation.

  20. Variation of the Moyer Model Parameter, H/sub 0/, with primary proton energy

    SciTech Connect

    Liu, K.L.; Stevenson, G.R.; Thomas, R.H.; Thomas, S.V.

    1982-08-01

    Experimental values of the Moyer Model Parameter H/sub 0/ were summarized and presented as a function of proton energy, E/sub p/. The variation of H/sub 0/(E/sup p/) with E/sup p/ was studied by regression analysis. Regression Analysis of the data under log-log transformation gave a best value for the exponent m of 0.77 +- 0.26, but a t-test did not reject m = 1 (p +- 20%). Since m = 1 was not excluded, and a Fisher's F-test did not exclude linearity, a linear regression analysis was performed. A line passing through the origin was not rejected (Student's t-test, p = 30%) and has the equation: H/sub 0/(E/sup p/ = (1.61 +- 0.19) x 10/sup -13/ Sv.m/sup 2//GeV to be compared with a value of (1.65 +- 0.21) x 10/sup -13/ Sv.m/sup 2//GeV published by Stevenson et al. (St 82).

  1. Spatial and temporal variations of reddening parameters toward HII regions in the Milky Way galaxy

    NASA Astrophysics Data System (ADS)

    Vargas Alvarez, Carlos A.

    The purpose of this thesis is to determine if the value of the total-to-selective extinction ratio, RV, has spatial and temporal variations as dust is modified by UV photons. Historically this value has been assumed to be 3.1 after averaging the values along different sightlines in the Milky Way Galaxy. This work will also demonstrate, that for areas of recent star formation with heavy extinction a proper study can not be done when assuming the nominal value, but a local value of RV must first be determined. For this purpose I will analyze the reddening parameters RV and A V toward the massive cluster Westerlund 2 and several mid-IR bubbles located in the G38.91-0.42 complex. Three reddening laws that made different assumptions about RV are applied to the spectral energy distribution (SED) of the observed stars. These SEDs are compared to the available optical and IR photometry searching for the RV and AV that minimizes the chi 2 of the fit.

  2. Generalized total variation-based MRI Rician denoising model with spatially adaptive regularization parameters.

    PubMed

    Liu, Ryan Wen; Shi, Lin; Huang, Wenhua; Xu, Jing; Yu, Simon Chun Ho; Wang, Defeng

    2014-07-01

    Magnetic resonance imaging (MRI) is an outstanding medical imaging modality but the quality often suffers from noise pollution during image acquisition and transmission. The purpose of this study is to enhance image quality using feature-preserving denoising method. In current literature, most existing MRI denoising methods did not simultaneously take the global image prior and local image features into account. The denoising method proposed in this paper is implemented based on an assumption of spatially varying Rician noise map. A two-step wavelet-domain estimation method is developed to extract the noise map. Following a Bayesian modeling approach, a generalized total variation-based MRI denoising model is proposed based on global hyper-Laplacian prior and Rician noise assumption. The proposed model has the properties of backward diffusion in local normal directions and forward diffusion in local tangent directions. To further improve the denoising performance, a local variance estimator-based method is introduced to calculate the spatially adaptive regularization parameters related to local image features and spatially varying noise map. The main benefit of the proposed method is that it takes full advantage of the global MR image prior and local image features. Numerous experiments have been conducted on both synthetic and real MR data sets to compare our proposed model with some state-of-the-art denoising methods. The experimental results have demonstrated the superior performance of our proposed model in terms of quantitative and qualitative image quality evaluations. Copyright © 2014 Elsevier Inc. All rights reserved.

  3. Variation in biochemical parameters in different parts of potato tubers for processing purposes.

    PubMed

    Bandana; Sharma, Vineet; Kaushik, S K; Singh, Brajesh; Raigond, Pinky

    2016-04-01

    The present study was conducted to estimate the variation in bio-chemical parameters among eight different parts viz. bud end cortex, bud end medulla, central cortex, central medulla, pith, stem end cortex, stem end medulla and peel of potato tuber of processing varieties. Concentration of dry matter, reducing sugar, sucrose and starch content were higher in cortical region than in medullar region of stem end, bud end and central portion. Variety Kufri Chipsona-1 had maximum dry matter content in stem end cortex (SEC 30.34 %), followed by Kufri Frysona (SEC 27.71 %). Mean reducing sugar values were comparatively more in bud end cortex (BEC 111.3 mg/100 g Fresh Weight) and lowest in stem end medulla (SEM 44.05 mg/100 g FW). Bio-chemical contents varied considerably within different parts of tuber as well as in different genotypes. The information generated in this study can help processors for effective utilization of potato for various types of processing products viz., chips and French fries.

  4. Experimental Analysis of Functional Variation within Protein Families: Receiver Domain Autodephosphorylation Kinetics.

    PubMed

    Page, Stephani C; Immormino, Robert M; Miller, Thane H; Bourret, Robert B

    2016-09-15

    Plants and microorganisms use two-component signal transduction systems (TCSs) to mediate responses to environmental stimuli. TCSs mediate responses through phosphotransfer from a conserved histidine on a sensor kinase to a conserved aspartate on the receiver domain of a response regulator. Typically, signal termination occurs through dephosphorylation of the receiver domain, which can catalyze its own dephosphorylation. Despite strong structural conservation between receiver domains, reported autodephosphorylation rate constants (kdephos) span a millionfold range. Variable receiver domain active-site residues D + 2 and T + 2 (two amino acids C terminal to conserved phosphorylation site and Thr/Ser, respectively) influence kdephos values, but the extent and mechanism of influence are unclear. We used sequence analysis of a large database of naturally occurring receiver domains to design mutant receiver domains for experimental analysis of autodephosphorylation kinetics. When combined with previous analyses, kdephos values were obtained for CheY variants that contained D + 2/T + 2 pairs found in 54% of receiver domain sequences. Tested pairs of amino acids at D + 2/T + 2 generally had similar effects on kdephos in CheY, PhoBN, or Spo0F. Acid or amide residues at D + 2/T + 2 enhanced kdephos CheY variants altered at D + 2/T + 2 exhibited rate constants for autophosphorylation with phosphoramidates and autodephosphorylation that were inversely correlated, suggesting that D + 2/T + 2 residues interact with aspects of the ground or transition states that differ between the two reactions. kdephos of CheY variants altered at D + 2/T + 2 correlated significantly with kdephos of wild-type receiver domains containing the same D + 2/T + 2 pair. Additionally, particular D + 2/T + 2 pairs were enriched in different response regulator subfamilies, suggesting functional significance. One protein family, defined by a conserved domain, can include hundreds of thousands of known

  5. Estimating von Bertalanffy parameters with individual and environmental variations in growth.

    PubMed

    Shelton, Andrew O; Mangel, Marc

    2012-01-01

    Variation among individuals is an ubiquitous feature of natural populations. However, the relative roles of intrinsic individual differences and stochastic processes in generating variation remain poorly understood. For somatic growth, identifying the contribution of individual and stochastic processes to observed variation in size has important implications both for basic and applied biology. Here we propose and develop methods for estimating individual variation in growth using size-at-age data. We modify the von Bertalanffy growth model to explicitly incorporate individual, environmental, and stochastic variation and provide analytic expressions for the mean and variance of length-at-age in populations. We use a Bayesian statistical model to estimate individual variation from length-at-age data and apply the model to simulated data to test its efficacy. Although a first step towards understanding individual variation, we demonstrate that estimating individual variation from observational samples is possible and provide a platform for future analytical and statistical developments.

  6. Simultaneous versus sequential optimal experiment design for the identification of multi-parameter microbial growth kinetics as a function of temperature.

    PubMed

    Van Derlinden, E; Bernaerts, K; Van Impe, J F

    2010-05-21

    Optimal experiment design for parameter estimation (OED/PE) has become a popular tool for efficient and accurate estimation of kinetic model parameters. When the kinetic model under study encloses multiple parameters, different optimization strategies can be constructed. The most straightforward approach is to estimate all parameters simultaneously from one optimal experiment (single OED/PE strategy). However, due to the complexity of the optimization problem or the stringent limitations on the system's dynamics, the experimental information can be limited and parameter estimation convergence problems can arise. As an alternative, we propose to reduce the optimization problem to a series of two-parameter estimation problems, i.e., an optimal experiment is designed for a combination of two parameters while presuming the other parameters known. Two different approaches can be followed: (i) all two-parameter optimal experiments are designed based on identical initial parameter estimates and parameters are estimated simultaneously from all resulting experimental data (global OED/PE strategy), and (ii) optimal experiments are calculated and implemented sequentially whereby the parameter values are updated intermediately (sequential OED/PE strategy). This work exploits OED/PE for the identification of the Cardinal Temperature Model with Inflection (CTMI) (Rosso et al., 1993). This kinetic model describes the effect of temperature on the microbial growth rate and encloses four parameters. The three OED/PE strategies are considered and the impact of the OED/PE design strategy on the accuracy of the CTMI parameter estimation is evaluated. Based on a simulation study, it is observed that the parameter values derived from the sequential approach deviate more from the true parameters than the single and global strategy estimates. The single and global OED/PE strategies are further compared based on experimental data obtained from design implementation in a bioreactor

  7. A Variational Formulation of Macro-Particle Algorithms for Kinetic Plasma Simulations

    NASA Astrophysics Data System (ADS)

    Shadwick, B. A.

    2013-10-01

    Macro-particle based simulations methods are in widespread use in plasma physics; their computational efficiency and intuitive nature are largely responsible for their longevity. In the main, these algorithms are formulated by approximating the continuous equations of motion. For systems governed by a variational principle (such as collisionless plasmas), approximations of the equations of motion is known to introduce anomalous behavior, especially in system invariants. We present a variational formulation of particle algorithms for plasma simulation based on a reduction of the distribution function onto a finite collection of macro-particles. As in the usual Particle-In-Cell (PIC) formulation, these macro-particles have a definite momentum and are spatially extended. The primary advantage of this approach is the preservation of the link between symmetries and conservation laws. For example, nothing in the reduction introduces explicit time dependence to the system and, therefore, the continuous-time equations of motion exactly conserve energy; thus, these models are free of grid-heating. In addition, the variational formulation allows for constructing models of arbitrary spatial and temporal order. In contrast, the overall accuracy of the usual PIC algorithm is at most second due to the nature of the force interpolation between the gridded field quantities and the (continuous) particle position. Again in contrast to the usual PIC algorithm, here the macro-particle shape is arbitrary; the spatial extent is completely decoupled from both the grid-size and the ``smoothness'' of the shape; smoother particle shapes are not necessarily larger. For simplicity, we restrict our discussion to one-dimensional, non-relativistic, un-magnetized, electrostatic plasmas. We comment on the extension to the electromagnetic case. Supported by the US DoE under contract numbers DE-FG02-08ER55000 and DE-SC0008382.

  8. Multidimensional Voice Program (MDVP) and amplitude variation parameters in euphonic adult subjects. Normative study.

    PubMed

    Nicastri, M; Chiarella, G; Gallo, L V; Catalano, M; Cassandro, E

    2004-12-01

    The introduction, in the late 70s, of the first digital spectrograph (DSP Sonograph) by Kay Elemetrics has improved the possibilities of spectroacoustic voice analysis in the clinical field. Thanks to the marketing, in 1993, of the Multi Dimensional Voice Program (MDVP) advanced system, it is now possible to analyse 33 quantitative voice parameters which, in turn, allow evaluation of fundamental frequency, amplitude and spectral energy balance and the presence of any sonority gap and diplophony. Despite its potentials, the above-mentioned system is not widely used yet, partly on account of the lack of a standard procedure. Indeed, there are still only a few case reports in the literature taking into consideration prescriptive aspects related both to procedure and analysis. This study aims to provide the results of amplitude perturbation parameter analysis in euphonic adult patients. In our opinion, these are the most significant parameters in determining the severity of a phonation disorder. The study has been carried out on 35 patients (24 female, 11 male, mean age 31.6 years, range 19-59). The voice signal has been recorded using a 4300 B Kay Computer Speech Lab (CSL) supported by a personal computer including a SM48 Shure-Prolog microphone located at a distance of 15 cm and angled at 45 degrees. Input microphone saturation has been adjusted to 6/9 of the CH1 channel. The voice sample consisted in a held /a/ and the analysis has been carried out on the central 3 seconds of the recording. The analysis has been carried out using a 5105 MDVP software version 2.3 and the signal digitalised at a 50 kHz sample rate. In order for the sample to be as free from intensity or frequency changes as possible, each patient underwent a training session (including at least 3 phonation tests) before the recording. The study included only emissions between 55 and 65 dB and with spectrum stability. Environmental noise has constantly been monitored and maintained below 30 dB. Data

  9. The effect of sustained static kneeling on kinetic and kinematic knee joint gait parameters.

    PubMed

    Kajaks, Tara; Costigan, Patrick

    2015-01-01

    Despite epidemiological evidence for kneeling as an occupational risk factor for knee osteoarthritis, biomechanical evidence is lacking. Gait knee joint mechanics, a common measure used to study knee osteoarthritis initiation, were used in the present study to investigate the effect of sustained static kneeling on the knee. Ten healthy male subjects (24.1 years ± 3.5) performed ten baseline walking trials, followed by a 30-min kneeling protocol and a second set of walking trials. Knee joint moments and angles were calculated during the stance phase. Within-subject root mean squared differences were compared within and between the pre- and post-kneeling gait trials. Differences were observed between the pre-kneeling and post-kneeling walking trails for flexion and adduction knee moments (0.12 Nm/kg ± 0.03, 0.07 Nm/kg ± 0.02) and angles (3.18° ± 1.22 and 1.64° ± 1.15), indicating that sustained static deep-knee flexion kneeling does acutely alter knee joint gait parameters.

  10. Photosynthetic limitations in two Antarctic vascular plants: importance of leaf anatomical traits and Rubisco kinetic parameters.

    PubMed

    Sáez, Patricia L; Bravo, León A; Cavieres, Lohengrin A; Vallejos, Valentina; Sanhueza, Carolina; Font-Carrascosa, Marcel; Gil-Pelegrín, Eustaquio; Javier Peguero-Pina, José; Galmés, Jeroni

    2017-05-17

    Particular physiological traits allow the vascular plants Deschampsia antarctica Desv. and Colobanthus quitensis (Kunth) Bartl. to inhabit Antarctica. The photosynthetic performance of these species was evaluated in situ, focusing on diffusive and biochemical constraints to CO2 assimilation. Leaf gas exchange, Chl a fluorescence, leaf ultrastructure, and Rubisco catalytic properties were examined in plants growing on King George and Lagotellerie islands. In spite of the species- and population-specific effects of the measurement temperature on the main photosynthetic parameters, CO2 assimilation was highly limited by CO2 diffusion. In particular, the mesophyll conductance (gm)-estimated from both gas exchange and leaf chlorophyll fluorescence and modeled from leaf anatomy-was remarkably low, restricting CO2 diffusion and imposing the strongest constraint to CO2 acquisition. Rubisco presented a high specificity for CO2 as determined in vitro, suggesting a tight co-ordination between CO2 diffusion and leaf biochemistry that may be critical ultimately to optimize carbon balance in these species. Interestingly, both anatomical and biochemical traits resembled those described in plants from arid environments, providing a new insight into plant functional acclimation to extreme conditions. Understanding what actually limits photosynthesis in these species is important to anticipate their responses to the ongoing and predicted rapid warming in the Antarctic Peninsula. © The Author 2017. Published by Oxford University Press on behalf of the Society for Experimental Biology.

  11. Variations in Kinetic Properties of Ribulose-1,5-bisphosphate Carboxylases among Plants

    PubMed Central

    Yeoh, Hock-Hin; Badger, Murray R.; Watson, Leslie

    1981-01-01

    Studies of ribulose-1,5-bisphosphate (RuBP) carboxylase from taxonomically diverse plants show that the enzyme from C3 and crassulacean acid metabolism pathway species exhibits lower Km(CO2) values (12-25 micromolar) than does that from C4 species (28-34 micromolar). RuBP carboxylase from aquatic angiosperms, an aquatic bryophyte, fresh water and marine algae has yielded consistently high Km(CO2) values (30-70 micromolar), similar in range to that of the enzyme from C4 terrestrial plants. This variation in Km(CO2) is discussed in relation to the correlation between the existence of CO2-concentrating mechanisms for photosynthesis and the affinity of the enzyme for CO2. The Km(RuBP) of the enzyme from various sources ranges from 10 to 136 micromolar; mean ± sd = 36 ± 20 micromolar. This variation in Km(RuBP) does not correlate with different photosynthetic pathways, but shows taxonomic patterns. Among the dicotyledons, the enzyme from crassinucellate species exhibits lower Km(RuBP) (18 ± 4 micromolar) than does that from tenuinucellate species (25 ± 7 micromolar). Among the Poaceae, RuBP carboxylase from Triticeae, chloridoids, andropogonoids, Microlaena, and Tetrarrhena has yielded lower Km(RuBP) values (29 ± 11 micromolar) than has that from other members of the grass family (46 ± 10 micromolar). PMID:16661826

  12. Esterase in Imported Fire Ants, Solenopsis invicta and S. richteri (Hymenoptera: Formicidae): Activity, Kinetics and Variation

    PubMed Central

    Chen, J.; Rashid, T.; Feng, G.

    2014-01-01

    Solenopsis invicta and Solenopsis richteri are two closely related invasive ants native to South America. Despite their similarity in biology and behavior, S. invicta is a more successful invasive species. Toxic tolerance has been found to be important to the success of some invasive species. Esterases play a crucial role in toxic tolerance of insects. Hence, we hypothesized that the more invasive S. invicta would have a higher esterase activity than S. richteri. Esterase activities were measured for workers and male and female alates of both ant species using α-naphthyl acetate and β-naphthyl acetate as substrates. Esterase activities in S. invicta were always significantly higher than those in S. richteri supporting our hypothesis. In S. invicta, male alates had the highest esterase activities followed by workers then female alates for both substrates. In S. richetri, for α-naphthyl acetate, male alates had the highest activity followed by female alates then workers, while for β-naphthyl acetate, female alates had the highest activity followed by male alates then workers. For workers, S. richteri showed significantly higher levels of variation about the mean esterase activity than S. invicta. However, S. invicta showed significantly higher levels of variation in both female and male alates. PMID:25408118

  13. Esterase in imported fire ants, Solenopsis invicta and S. richteri (Hymenoptera: Formicidae): activity, kinetics and variation.

    PubMed

    Chen, J; Rashid, T; Feng, G

    2014-11-19

    Solenopsis invicta and Solenopsis richteri are two closely related invasive ants native to South America. Despite their similarity in biology and behavior, S. invicta is a more successful invasive species. Toxic tolerance has been found to be important to the success of some invasive species. Esterases play a crucial role in toxic tolerance of insects. Hence, we hypothesized that the more invasive S. invicta would have a higher esterase activity than S. richteri. Esterase activities were measured for workers and male and female alates of both ant species using α-naphthyl acetate and β-naphthyl acetate as substrates. Esterase activities in S. invicta were always significantly higher than those in S. richteri supporting our hypothesis. In S. invicta, male alates had the highest esterase activities followed by workers then female alates for both substrates. In S. richetri, for α-naphthyl acetate, male alates had the highest activity followed by female alates then workers, while for β-naphthyl acetate, female alates had the highest activity followed by male alates then workers. For workers, S. richteri showed significantly higher levels of variation about the mean esterase activity than S. invicta. However, S. invicta showed significantly higher levels of variation in both female and male alates.

  14. Degradation of atenolol by UV/peroxymonosulfate: kinetics, effect of operational parameters and mechanism.

    PubMed

    Liu, Xiaowei; Zhang, Tuqiao; Zhou, Yongchao; Fang, Lei; Shao, Yu

    2013-11-01

    Photoactivation of peroxymonosulfate (PMS) with UV (254nm) irradiation was used to generate the SO4(-)-based advanced oxidation process, which was adopted to degrade atenolol (ATL) in water. The second-order reaction rate constants of ATL with HO and SO4(-) were determined, and the effects of operational parameters (dose of PMS, solution pH, HCO3(-), humic acids (HA), and N2 bubbling) were evaluated as well. Finally the main transformation intermediates were identified and possible degradation pathways were proposed. The results showed that there was a linear positive correlation between the degradation rate of ATL and specific dose of PMS (1-16M PMS/M ATL). Increasing solution pH from 3 to 9 promoted elimination of ATL due to the pH-dependent effect of PMS photodecomposition, while further pH increase from 9 to 11 caused slowing down of degradation because of apparent conversion of HO to SO4(-). 1-8mM HCO3(-) exerted no more than 5.3% inhibition effect on ATL destruction, suggesting HCO3(-) was a weak inhibitor. Absorption (or complexation) and photosensitized oxidation induced by HA improved ATL degradation during the first minute of degradation process, whereas photon competition and radical scavenging effects became the leading role afterward. Bubbling with nitrogen enhanced the degradation rate due to the stripping of dissolved oxygen. Hydroxylation of aromatic ring, cleavage of ether bond, oxidation of primary and secondary amine moieties, and dimerization were involved in the degradation mechanism of ATL by UV/PMS.

  15. Thermodynamics and kinetics parameters of co-combustion between sewage sludge and water hyacinth in CO2/O2 atmosphere as biomass to solid biofuel.

    PubMed

    Huang, Limao; Liu, Jingyong; He, Yao; Sun, Shuiyu; Chen, Jiacong; Sun, Jian; Chang, KenLin; Kuo, Jiahong; Ning, Xun'an

    2016-10-01

    Thermodynamics and kinetics of sewage sludge (SS) and water hyacinth (WH) co-combustion as a blend fuel (SW) for bioenergy production were studied through thermogravimetric analysis. In CO2/O2 atmosphere, the combustion performance of SS added with 10-40wt.% WH was improved 1-1.97 times as revealed by the comprehensive combustion characteristic index (CCI). The conversion of SW in different atmospheres was identified and their thermodynamic parameters (ΔH,ΔS,ΔG) were obtained. As the oxygen concentration increased from 20% to 70%, the ignition temperature of SW decreased from 243.1°C to 240.3°C, and the maximum weight loss rate and CCI increased from 5.70%·min(-1) to 7.26%·min(-1) and from 4.913%(2)·K(-3)·min(-2) to 6.327%(2)·K(-3)·min(-2), respectively, which corresponded to the variation in ΔS and ΔG. The lowest activation energy (Ea) of SW was obtained in CO2/O2=7/3 atmosphere. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Optimizing Photosynthetic and Respiratory Parameters Based on the Seasonal Variation Pattern in Regional Net Ecosystem Productivity Obtained from Atmospheric Inversion

    NASA Astrophysics Data System (ADS)

    Chen, Z.; Chen, J.; Zheng, X.; Jiang, F.; Zhang, S.; Ju, W.; Yuan, W.; Mo, G.

    2014-12-01

    In this study, we explore the feasibility of optimizing ecosystem photosynthetic and respiratory parameters from the seasonal variation pattern of the net carbon flux. An optimization scheme is proposed to estimate two key parameters (Vcmax and Q10) by exploiting the seasonal variation in the net ecosystem carbon flux retrieved by an atmospheric inversion system. This scheme is implemented to estimate Vcmax and Q10 of the Boreal Ecosystem Productivity Simulator (BEPS) to improve its NEP simulation in the Boreal North America (BNA) region. Simultaneously, in-situ NEE observations at six eddy covariance sites are used to evaluate the NEE simulations. The results show that the performance of the optimized BEPS is superior to that of the BEPS with the default parameter values. These results have the implication on using atmospheric CO2 data for optimizing ecosystem parameters through atmospheric inversion or data assimilation techniques.

  17. Estimation of turbulent kinetic energy using 4D phase-contrast MRI: Effect of scan parameters and target vessel size.

    PubMed

    Ha, Hojin; Hwang, Dongha; Kim, Guk Bae; Kweon, Jihoon; Lee, Sang Joon; Baek, Jehyun; Kim, Young-Hak; Kim, Namkug; Yang, Dong Hyun

    2016-07-01

    Quantifying turbulence velocity fluctuation is important because it indicates the fluid energy dissipation of the blood flow, which is closely related to the pressure drop along the blood vessel. This study aims to evaluate the effects of scan parameters and the target vessel size of 4D phase-contrast (PC)-MRI on quantification of turbulent kinetic energy (TKE). Comprehensive 4D PC-MRI measurements with various velocity-encoding (VENC), echo time (TE), and voxel size values were carried out to estimate TKE distribution in stenotic flow. The total TKE (TKEsum), maximum TKE (TKEmax), and background noise level (TKEnoise) were compared for each scan parameter. The feasibility of TKE estimation in small vessels was also investigated. Results show that the optimum VENC for stenotic flow with a peak velocity of 125cm/s was 70cm/s. Higher VENC values overestimated the TKEsum by up to six-fold due to increased TKEnoise, whereas lower VENC values (30cm/s) underestimated it by 57.1%. TE and voxel size did not significantly influence the TKEsum and TKEnoise, although the TKEmax significantly increased as the voxel size increased. TKE quantification in small-sized vessels (3-5-mm diameter) was feasible unless high-velocity turbulence caused severe phase dispersion in the reference image. Copyright © 2016 Elsevier Inc. All rights reserved.

  18. Efficient method for calculating kinetic parameters using T1-weighted dynamic contrast-enhanced magnetic resonance imaging.

    PubMed

    Murase, Kenya

    2004-04-01

    It has become increasingly important to quantitatively estimate tissue physiological parameters such as perfusion, capillary permeability, and the volume of extravascular-extracellular space (EES) using T(1)-weighted dynamic contrast-enhanced MRI (DCE-MRI). A linear equation was derived by integrating the differential equation describing the kinetic behavior of contrast agent (CA) in tissue, from which K(1) (rate constant for the transfer of CA from plasma to EES), k(2) (rate constant for the transfer from EES to plasma), and V(p) (plasma volume) can be easily obtained by the linear least-squares (LLSQ) method. The usefulness of this method was investigated by means of computer simulations, in comparison with the nonlinear least-squares (NLSQ) method. The new method calculated the above parameters faster than the NLSQ method by a factor of approximately 6, and estimated them more accurately than the NLSQ method at a signal-to-noise ratio (SNR) of < approximately 10. This method will be useful for generating functional images of K(1), k(2), and V(p) from DCE-MRI data.

  19. 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 (V̇O2p) 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 V̇O2p kinetic parameter estimates (V̇O2p amplitude, time delay and phase II time constant (τV̇O2p)] 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 V̇O2p was measured using mass spectrometry and volume turbine. Mono-exponential kinetic modelling of phase II V̇O2p 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 τV̇O2p 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 V̇O2p response. However, the narrowest interval for CI95 occurred when individual trials were linearly

  20. Kinetic study of ferronickel slag grinding at variation of ball filling and ratio of feed to grinding balls

    NASA Astrophysics Data System (ADS)

    Sanwani, Edy; Ikhwanto, Muhammad

    2017-01-01

    The objective of this paper is to investigate the effect of ball filling and ratio of feed to grinding balls on the kinetic of grinding of ferronickel slag in a laboratory scale ball mill. The experiments were started by crushing the ferronickel slag samples using a roll crusher to produce -3 mesh (-6.7 mm) product. This product, after sampling and sample dividing processes, was then used as feed for grinding process. The grinding was performed with variations of ball filling and ratio of feed to grinding balls for 150 minutes. At every certain time interval, particle size analysis was carried out on the grinding product. The results of the experiments were also used to develop linear regression model of the effect of grinding variables on the P80 of the product. Based on this study, it was shown that P80 values of the grinding products declined sharply until 70 minutes of grinding time due to the dominant mechanism of impact breakage and then decreased slowly after 70 minutes until 150 minutes of grinding time due to dominant mechanism of attrition breakage. Kinetics study of the grinding process on variations of grinding ball filling showed that the optimum rate of formation of fine particles for 20%, 30%, 40% and 50% mill volume was achieved at a particle size of 400 µm in which the best initial rate of formation occurred at 50% volume of mill. At the variations of ratio of feed to grinding balls it was shown that the optimum rate of grinding for the ratio of 1:10, 1: 8 and 1: 6 was achieved at a particle size of 400 µm and for the ratio of 1: 4 was at 841 µm in which the best initial rate of formation occurred at a 1:10 ratio. In this study, it was also produced two regression models that can predict the P80 value of the grinding product as a function of the variables of grinding time, ball filling and the ratio of the feed to grinding balls.

  1. Kinetic approach to the formation of 3D electromagnetic structures in flows of expanding plasma coronas. II. flow anisotropy parameters

    NASA Astrophysics Data System (ADS)

    Gubchenko, V. M.

    2015-12-01

    The formation of magnetic structures in moving hot solar coronal plasma and hot collisionless laser-produced plasma, as determined by nonlinear criteria for weak and strong magnetization on the basis of the friction parameter Γ B and Alfven number M A, is considered within the Vlasov and Maxwell equations in the second part of the work. The flow velocities are lower then the thermal electron velocity. The energy and pulse anisotropy parameters of a flow, which determine its electromagnetic properties in the Cherenkov resonance line, are calculated by shape of particle distribution function (PDF). The ratio of these parameters is the Q-factor G V ; it characterizes the electromagnetic properties of a plasma flow and is expressed via the ratio of diamagnetic and resistive current densities or via the ratio of irregular and diamagnetic plasma scales. A particle flow is similar to a conductive medium at G V ≪ 1 and a diamagnetic medium at G V ≫ 1. The following cases are considered. (1) A plasma flow is specified by an isotropic PDF and interacts with distributed magnetization. Expressions for anisotropy parameters are derived, 3D field structures in the tail wake are found, and a possibility of topological reconstruction into a compact state under variation in the parameter G V is shown. (2) A plasma flow is specified by an isotropic PDF; a steady-state diamagnetic current layer, characterized by an anisotropic PDF, is immersed inside it. The system is in the diamagnetic state G ≫ 1. The generalized anisotropy parameter is calculated and a possibility of the excitation of three types of diamagnetic structures with low resistive currents is shown. (3) The nonlinear dynamics of anisotropic quasi-current-free plasma ( G =-1), in which the diamagnetic and resistive current densities locally compensate each other in the phase space of particle velocities, is studied. This dynamics is implemented in the long wavelength limit in plasma with an anisotropic PDF.

  2. Relationship Between Human Physiological Parameters And Geomagnetic Variations Of Solar Origin

    NASA Astrophysics Data System (ADS)

    Dimitrova, S.

    This study attempts to assess the influence of increased geomagnetic activity on some human physiological parameters. The blood pressure, heart rate and general well-being of 86 volunteers were measured (the latter by means of a standardized questionnaire) on work days in autumn 2001 (01/10 to 09/11) and in spring 2002 (08/04 to 28/05). These periods were chosen because of maximal expected geomagnetic activity. Altogether, 2799 recordings were obtained and analysed. MANOVA was employed to check the significance of the influence of three factors on the physiological parameters under consideration. The three factors were the following: 1) planetary geomagnetic activity level estimated by Ap-index and divided into five levels; 2) gender - males and females; 3) blood pressure degree - persons in the group examined were divided into hypotensive, normotensive and hypertensive. Post hoc analysis was performed to elicit the significance of differences in the factors' levels. The average arterial blood pressure of the group was found to increase significantly with the increase of geomagnetic activity level. The average increment of systolic and diastolic blood pressure reached 9%, which deserves attention from a medical point of view. This effect was present irrespectively of gender. Results obtained suppose that hypertensive persons have the highest sensitivity and the hypotensive persons have the lowest sensitivity of the arterial blood pressure to increase of geomagnetic activity. The results did not show significant changes in the heart rate. The percentage of the persons who reported subjective psycho-physiological complaints was also found to increase significantly with the geomagnetic activity increase. During severe geomagnetic storms 30% of the persons examined reported subjective complaints and the highest sensitivity was revealed for the hypertensive females. The results obtained add further evidence that blood pressure seems to be affected by geomagnetic

  3. Indoor and outdoor atmospheric ion mobility spectra, diurnal variation, and relationship with meteorological parameters

    NASA Astrophysics Data System (ADS)

    Wright, Matthew D.; Holden, Nicola K.; Shallcross, Dudley E.; Henshaw, Denis L.

    2014-03-01

    We report measurements of small ion mobility spectra and concentrations made over a 5 month period using a Gerdien-type ion mobility spectrometer at one indoor site in central Bristol, UK, and one indoor and one outdoor site in a semirural area. We assess the diurnal variation in ion concentration and mobility, variability with meteorological parameters, and features within the ion mobility spectra. Ion concentration (typically in the range 100-1000 cm-3) was highest overnight and lowest in late morning and afternoon. Total conductivity also followed this trend suggesting that small ions contribute more to conductivity than larger charged particles, although at the semirural site, indoor activity produced charged aerosol intermittently, while infiltration of outdoor aerosol contributed at the urban site. Negative ion mobility (typically 1.6-1.9 cm2 V-1 s-1) was higher overnight than at other times, while positive ion mobility (typically 1.2-1.4 cm2 V-1 s-1) showed no diurnal variability. In general, temperature, pressure, wind speed, and water vapor pressure were inversely related to both concentration and mobility, except outdoors when (negative) mobility increased with increasing temperature and pressure, while increased relative humidity was associated with higher ion mobilities and concentrations. Analysis of high-resolution mobility spectra revealed several mobilities for each polarity at which peaks were identified across all sites, suggesting similarity in composition but with varying importance at each site. Intermediate ions (mobilities 0.2-0.3 cm2 V-1 s-1) were observed at the outdoor site, but individual nucleation events which may be associated with them were not identifiable.

  4. Kinematic and kinetic variations among three depth jump conditions in male NCAA division III athletes.

    PubMed

    Smith, Joel P; Kernozek, Thomas W; Kline, Dennis E; Wright, Glenn A

    2011-01-01

    Our purpose was to provide an in-depth investigation of 2 commonly used depth jump variants: depth jumping over a hurdle and depth jumping while touching as high as possible using an overhead goal. Fourteen male athletes performed a series of depth jumps from a 45-cm box. Three types of jumping conditions were used. One type of depth jump was a control jump (DJ45-C), performed for maximal height with no external apparatus used to influence the jump. Another type of depth jump was performed over a hurdle (DJ45-H), which was set at an individualized height for each athlete based on their leaping ability. The final type of depth jump was performed for maximal touch height on a Vertec measuring device (DJ45-T). Timing, kinematics, and kinetics of the 3 jumping conditions were compared. The hurdle depth jumping condition demonstrated lower ground contact times and significantly less (p < 0.05) flexion in the hips (41.22 ± 8.10 degrees) and knees (67.47 ± 8.36 degrees) when compared to control (49.26 ± 10.90 degrees of hip flexion and 73.85 ± 10.68 degrees of knee flexion) and target (50.51 ± 9.51 degrees of hip flexion and 75.01 ± 9.97 degrees of knee flexion) conditions. Jumping conditions that used goals (DJ45-H, DJ45-T) produced significantly higher (p < 0.05) vertical velocity of the sacrum at toe-off (3.57 ± .34 m/s and 3.46 ± .36 m/s, respectively) than the control condition (3.32 ± .34 m/s). The hurdle depth jump condition had higher ground reaction forces (875.36 ± 135.66 N) and higher dorsiflexion (566.02 ± 402.45 W) and plantar flexion power (768.84 ± 192.19 W) at the ankle than the Vertec (409.83 ± 387.23 W for dorsiflexion and 622.54 ± 188.95 W for plantar flexion) and control conditions (425.60 ± 380.01 W for dorsiflexion and 643.35 ± 166.70 W for plantar flexion). Few differences were found to exist between the Vertec and control conditions. Hurdle jumping in particular may be superior for the development of short ground contact time (<0

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

    SciTech Connect

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

    2015-09-21

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

  6. Joint estimation of subject motion and tracer kinetic parameters of dynamic PET data in an EM framework

    NASA Astrophysics Data System (ADS)

    Jiao, Jieqing; Salinas, Cristian A.; Searle, Graham E.; Gunn, Roger N.; Schnabel, Julia A.

    2012-02-01

    Dynamic Positron Emission Tomography is a powerful tool for quantitative imaging of in vivo biological processes. The long scan durations necessitate motion correction, to maintain the validity of the dynamic measurements, which can be particularly challenging due to the low signal-to-noise ratio (SNR) and spatial resolution, as well as the complex tracer behaviour in the dynamic PET data. In this paper we develop a novel automated expectation-maximisation image registration framework that incorporates temporal tracer kinetic information to correct for inter-frame subject motion during dynamic PET scans. We employ the Zubal human brain phantom to simulate dynamic PET data using SORTEO (a Monte Carlo-based simulator), in order to validate the proposed method for its ability to recover imposed rigid motion. We have conducted a range of simulations using different noise levels, and corrupted the data with a range of rigid motion artefacts. The performance of our motion correction method is compared with pairwise registration using normalised mutual information as a voxel similarity measure (an approach conventionally used to correct for dynamic PET inter-frame motion based solely on intensity information). To quantify registration accuracy, we calculate the target registration error across the images. The results show that our new dynamic image registration method based on tracer kinetics yields better realignment of the simulated datasets, halving the target registration error when compared to the conventional method at small motion levels, as well as yielding smaller residuals in translation and rotation parameters. We also show that our new method is less affected by the low signal in the first few frames, which the conventional method based on normalised mutual information fails to realign.

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

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

  8. Final Report for NFE-07-00912: Development of Model Fuels Experimental Engine Data Base & Kinetic Modeling Parameter Sets

    SciTech Connect

    Bunting, Bruce G

    2012-10-01

    The automotive and engine industries are in a period of very rapid change being driven by new emission standards, new types of after treatment, new combustion strategies, the introduction of new fuels, and drive for increased fuel economy and efficiency. The rapid pace of these changes has put more pressure on the need for modeling of engine combustion and performance, in order to shorten product design and introduction cycles. New combustion strategies include homogeneous charge compression ignition (HCCI), partial-premixed combustion compression ignition (PCCI), and dilute low temperature combustion which are being developed for lower emissions and improved fuel economy. New fuels include bio-fuels such as ethanol or bio-diesel, drop-in bio-derived fuels and those derived from new crude oil sources such as gas-to-liquids, coal-to-liquids, oil sands, oil shale, and wet natural gas. Kinetic modeling of the combustion process for these new combustion regimes and fuels is necessary in order to allow modeling and performance assessment for engine design purposes. In this research covered by this CRADA, ORNL developed and supplied experimental data related to engine performance with new fuels and new combustion strategies along with interpretation and analysis of such data and consulting to Reaction Design, Inc. (RD). RD performed additional analysis of this data in order to extract important parameters and to confirm engine and kinetic models. The data generated was generally published to make it available to the engine and automotive design communities and also to the Reaction Design Model Fuels Consortium (MFC).

  9. Determination of bacterial and viral transport parameters in a gravel aquifer assuming linear kinetic sorption and desorption

    NASA Astrophysics Data System (ADS)

    Mallén, G.; Maloszewski, P.; Flynn, R.; Rossi, P.; Engel, M.; Seiler, K.-P.

    2005-05-01

    The bacteria Escherichia coli and Pseudomonas putida, and the bacteriophage virus H40/1 are examined both for their transport behaviour relative to inert solute tracers and for their modelability under natural flow conditions in a gravel aquifer. The microbes are attenuated in the following sequence: H40/1≥ P. putida≫ E. coli. The latter is desorbed almost completely within a few days. Breakthrough and recovery curves of the simultaneously injected non-reactive tracers are simulated with the 2D and 1D dispersion equation, in order to ascertain longitudinal dispersivity ( αL) and mean flow time ( T0). Mathematical modelling is difficult due to the aquifer heterogeneity, which results in preferential flow paths between injection and observation wells. Therefore, any attempt of fitting the dispersion model (DM) to the entire inert-tracer breakthrough curve (BTC) fails. Adequate fitting of the model to measured data only succeeds using a DM consisting of a superposition of several BTCs, each representing another set of flow paths. This gives rise to a multimodal, rather than a Gaussian groundwater velocity distribution. Only hydraulic parameters derived from the fastest partial curve, which is fitted to the rising part of the Uranine BTC, are suitable to model microbial breakthroughs. The hydraulic parameters found using 2D and 1D models were nearly identical. Their values were put into an analytical solution of 1D advective-dispersive transport combined with two-site reaction model introduced by Cameron and Klute [Cameron, D.R., Klute, A., 1977. Convective-dispersive solute transport with a combined equilibrium and kinetic adsorption model. Water Resour. Res. 13, 183-189], in order to identify reactive transport parameters (sorption/desorption) and attenuation mechanisms for the microbes migration. This shows that the microbes are almost entirely transported through preferential flow paths, which are represented by the first partial curve. Inert tracers, however

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

    SciTech Connect

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

    2014-06-15

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

  11. Development of a Combined In Vitro Physiologically Based Kinetic (PBK) and Monte Carlo Modelling Approach to Predict Interindividual Human Variation in Phenol-Induced Developmental Toxicity.

    PubMed

    Strikwold, Marije; Spenkelink, Bert; Woutersen, Ruud A; Rietjens, Ivonne M C M; Punt, Ans

    2017-06-01

    With our recently developed in vitro physiologically based kinetic (PBK) modelling approach, we could extrapolate in vitro toxicity data to human toxicity values applying PBK-based reverse dosimetry. Ideally information on kinetic differences among human individuals within a population should be considered. In the present study, we demonstrated a modelling approach that integrated in vitro toxicity data, PBK modelling and Monte Carlo simulations to obtain insight in interindividual human kinetic variation and derive chemical specific adjustment factors (CSAFs) for phenol-induced developmental toxicity. The present study revealed that UGT1A6 is the primary enzyme responsible for the glucuronidation of phenol in humans followed by UGT1A9. Monte Carlo simulations were performed taking into account interindividual variation in glucuronidation by these specific UGTs and in the oral absorption coefficient. Linking Monte Carlo simulations with PBK modelling, population variability in the maximum plasma concentration of phenol for the human population could be predicted. This approach provided a CSAF for interindividual variation of 2.0 which covers the 99th percentile of the population, which is lower than the default safety factor of 3.16 for interindividual human kinetic differences. Dividing the dose-response curve data obtained with in vitro PBK-based reverse dosimetry, with the CSAF provided a dose-response curve that reflects the consequences of the interindividual variability in phenol kinetics for the developmental toxicity of phenol. The strength of the presented approach is that it provides insight in the effect of interindividual variation in kinetics for phenol-induced developmental toxicity, based on only in vitro and in silico testing. © The Author 2017. Published by Oxford University Press on behalf of the Society of Toxicology. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  12. Variation of iron redox kinetics and its relation with molecular composition of standard humic substances at circumneutral pH

    PubMed Central

    Lee, Ying Ping; Kikuchi, Tetsuro; Terao, Koumei; Yoshimura, Chihiro

    2017-01-01

    Oxidation and reduction kinetics of iron (Fe) and proportion of steady-state Fe(II) concentration relative to total dissolved Fe (steady-state Fe(II) fraction) were investigated in the presence of various types of standard humic substances (HS) with particular emphasis on the photochemical and thermal reduction of Fe(III) and oxidation of Fe(II) by dissolved oxygen (O2) and hydrogen peroxide (H2O2) at circumneutral pH (pH 7–8). Rates of Fe(III) reduction were spectrophotometrically determined by a ferrozine method under the simulated sunlight and dark conditions, whereas rates of Fe(II) oxidation were examined in air-saturated solution using luminol chemiluminescence technique. The reduction and oxidation rate constants were determined to substantially vary depending on the type of HS. For example, the first-order rate constants varied by up to 10-fold for photochemical reduction and 7-fold for thermal reduction. The degree of variation in Fe(II) oxidation was larger for the H2O2-mediated reaction compared to the O2-mediated reaction (e.g., 15- and 3-fold changes for the former and latter reactions, respectively, at pH 8). The steady-state Fe(II) fraction under the simulated sunlight indicated that the Fe(II) fraction varies by up to 12-fold. The correlation analysis indicated that variation of Fe(II) oxidation is significantly associated with aliphatic content of HS, suggesting that Fe(II) complexation by aliphatic components accelerates Fe(II) oxidation. The reduction rate constant and steady-state Fe(II) fractions in the presence of sunlight had relatively strong positive relations with free radical content of HS, possibly due to the reductive property of radical semiquinone in HS. Overall, the findings in this study indicated that the Fe reduction and oxidation kinetics and resultant Fe(II) formation are substantially influenced by chemical properties of HS. PMID:28453538

  13. Geostatistical characteristic of space-time variation in quality parameters in Klodzko water supply system (SW part of Poland)

    NASA Astrophysics Data System (ADS)

    Namysłowska-Wilczyńska, Barbara

    2015-04-01

    Selected results of research connected with the development of a (3D) geostatistical hydrogeochemical model of the Klodzko city area, dedicated to the spatial and time variation in the quality parameters in the Klodzko water supply system (SW part of Poland) will be presented. The research covers the period 2007 ÷ 2011. Spatial analyses of the variation in three different quality parameters, i.e. Fe iron [g/m3] content, Mn manganese [g/m3] content and NH4+ ammonium ion [g/m3] content, were carried out. Spatial and time variation in the parameters was analyzed on the basis of the data (2007 ÷ 2011). Thematic databases, containing original data on coordinates X, Y (latitude and longitude) and Z (time - years) and on regionalized variables, i.e. the water quality parameters in the Klodzko water supply system, were created. The input for the studies were the chemical determinations of the quality parameters of water samples taken in the Klodzko water supply system area in different periods of time. These data were subjected to spatial analyses using geostatistical methods. The geostatistical parameters of the assumed theoretical models of directional semivariograms functions of the studied water quality parameters, calculated for the time (years) interval, were used in the ordinary (block) kriging estimation. Generally, the behaviour of the quality parameters in the Klodzko water supply system has been found to vary in space and time. Thanks to the multidirectional spatial analyses some regularities in the variation in the water supply system in the Klodzko city area have been identified. In the considered time interval, the shapes of the directional Fe iron content semivariogram show a tendency to vary periodically. The courses of the directional semivariograms of Mn manganese content and NH4+ ammonium ion content show some tendencies towards directional variation over the passing years: distinctly expressed trends of variability for Mn content and stronger for NH4

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

    SciTech Connect

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

    2008-08-28

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

  15. Evaluation of Interindividual Human Variation in Bioactivation and DNA Adduct Formation of Estragole in Liver Predicted by Physiologically Based Kinetic/Dynamic and Monte Carlo Modeling.

    PubMed

    Punt, Ans; Paini, Alicia; Spenkelink, Albertus; Scholz, Gabriele; Schilter, Benoit; van Bladeren, Peter J; Rietjens, Ivonne M C M

    2016-04-18

    Estragole is a known hepatocarcinogen in rodents at high doses following metabolic conversion to the DNA-reactive metabolite 1'-sulfooxyestragole. The aim of the present study was to model possible levels of DNA adduct formation in (individual) humans upon exposure to estragole. This was done by extending a previously defined PBK model for estragole in humans to include (i) new data on interindividual variation in the kinetics for the major PBK model parameters influencing the formation of 1'-sulfooxyestragole, (ii) an equation describing the relationship between 1'-sulfooxyestragole and DNA adduct formation, (iii) Monte Carlo modeling to simulate interindividual human variation in DNA adduct formation in the population, and (iv) a comparison of the predictions made to human data on DNA adduct formation for the related alkenylbenzene methyleugenol. Adequate model predictions could be made, with the predicted DNA adduct levels at the estimated daily intake of estragole of 0.01 mg/kg bw ranging between 1.6 and 8.8 adducts in 10(8) nucleotides (nts) (50th and 99th percentiles, respectively). This is somewhat lower than values reported in the literature for the related alkenylbenzene methyleugenol in surgical human liver samples. The predicted levels seem to be below DNA adduct levels that are linked with tumor formation by alkenylbenzenes in rodents, which were estimated to amount to 188-500 adducts per 10(8) nts at the BMD10 values of estragole and methyleugenol. Although this does not seem to point to a significant health concern for human dietary exposure, drawing firm conclusions may have to await further validation of the model's predictions.

  16. Analysis of Changes of Cardiological Parameters at Middle Latitude Region in Relation to Geomagnetic Disturbances and Cosmic Ray Variations

    NASA Astrophysics Data System (ADS)

    Papailiou, M.; Dimitrova, S.; Babayev, E. S.; Mavromichalaki, H.

    2010-01-01

    Collaborating scientific groups from Athens (Greece), Baku (Azerbaijan) and Sofia (Bulgaria) have conducted a research work on the possible effects of geomagnetic field disturbances (GMF) and cosmic ray intensity (CRI) variations on human homeostasis, particularly, the cardio-health state. Electrocardiograms (ECGs) of seven functionally healthy persons were digitally registered at the joint Laboratory of Heliobiology located in the Medical Centre INAM, Baku, on working days and Saturdays. Heart rate values, estimated from ECGs, were analysed in relation to daily values of CRI, as measured by the Neutron Monitor of the University of Athens and daily variations of Dst and Ap geomagnetic indices and some significant results had been revealed in previous studies. Researches were continued by study of additional cardiologic parameters estimated from the same ECG data. In this study digital data of RR interval (the time elapsing between two consecutive R waves in the ECG), namely RRminimum, RRmaximum and RRaverage were analyzed taking into consideration different levels of GMF disturbances (estimated through variations of Dst and Ap indices) and cosmic ray activity (through CRI variations). The data refer to the time period 15 July 2006-31 March 2008. Variations of RR intervals show connection to GMF disturbances and CRI variations. The revealed effects are more pronounced for high levels of geomagnetic activity (when geomagnetic storms occur) and large CRI decreases as well as on the days before and after these variations.

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

    PubMed

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

    2006-01-01

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

  18. Effect of Simultaneous Inoculation with Yeast and Bacteria on Fermentation Kinetics and Key Wine Parameters of Cool-Climate Chardonnay

    PubMed Central

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

    2006-01-01

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

  19. Estimation of kinetic parameters of anthocyanins and color degradation in vitamin C fortified cranberry juice during storage.

    PubMed

    Roidoung, Sunisa; Dolan, Kirk D; Siddiq, Muhammad

    2017-04-01

    Color degradation in cranberry juice during storage is the most common consumer complaint. To enhance nutritional quality, juice is typically fortified with vitamin C. This study determined effect of gallic acid, a natural antioxidant, for the preservation of anthocyanins (ACYs) and color, and estimated kinetics of ACYs and color degradation. Juice, fortified with 40-80mg/100mL vitamin C and 0-320mg/100mL gallic acid, was pasteurized at 85°C for 1min and stored at 23°C for 16days. Total monomeric anthocyanins and red color intensity were evaluated spectrophotometrically and data were used to determine degradation rate constants (k values) and order of reaction (n) of ACYs and color. Due to high correlation, k and n could not be estimated simultaneously. To overcome this difficulty, both n and k were held at different constant values in separate analyses to allow accurate estimation of each. Parameters n and k were modeled empirically as functions of vitamin C, and of vitamin C and gallic acid, respectively. Reaction order n ranged from 1.2 to 4.4, and decreased with increasing vitamin C concentration. The final model offers an effective tool that could be used for predicting ACYs and color retention in cranberry juice during storage.

  20. Optimization of laccase fermentation and evaluation of kinetic and thermodynamic parameters of a partially purified laccase produced by Daedalea flavida.

    PubMed

    Singha, Siddhartha; Panda, Tapobrata

    2015-01-01

    Studies on laccase production by Daedalea flavida were carried out in static and low-speed shake cultures. The enzyme production was reduced drastically at a high speed of shaking. Optimal production conditions are necessary to assess the quality of laccase suitable for a specific application. Thus, the production of laccase was optimized by the application of response surface methodology. Laccase production was 8-fold and 7.5-fold more in static and low-speed shake conditions, respectively, in an optimal medium composition than in an unoptimized medium. Laccase obtained using the optimal culture medium of D. flavida was tested for its stability at different temperatures and pH conditions. The partially purified enzyme was most stable at 30°C and pH 5. The half-life of laccase is 87 min at 60°C and at pH 6. The kinetic and thermodynamic parameters were evaluated for the inactivation of the partially purified laccase. The entropy change of inactivation of the enzyme is least at pH 4.

  1. Theoretical estimation of kinetic parameters for nucleophilic substitution reactions in solution: an application of a solution translational entropy model.

    PubMed

    Han, Ling-Li; Li, Shi-Jun; Fang, De-Cai

    2016-02-17

    The kinetic parameters, such as activation entropy, activation enthalpy, activation free-energy, and reaction rate constant, for a series of nucleophilic substitution (SN) reactions in solution, are investigated using both a solution-phase translational entropy model and an ideal gas-phase translational entropy model. The results obtained from the solution translational entropy model are in excellent agreement with the experimental values, while the overestimation of activation free-energy from the ideal gas-phase translational entropy model is as large as 6.9 kcal mol(-1). For some of the reactions studied, such as and in methanol, and and in aqueous solution, the explicit + implicit model, namely, a cluster-continuum type model, should be employed to account for the strong solvent-solute interactions. In addition, the explicit + implicit models have also been applied to the DMSO-H2O mixtures, which would open up a door to investigate the reactions in a mixed solvent using density functional theory (DFT) methods.

  2. Comparison of dual-echo DSC-MRI- and DCE-MRI-derived contrast agent kinetic parameters.

    PubMed

    Quarles, C Chad; Gore, John C; Xu, Lei; Yankeelov, Thomas E

    2012-09-01

    The application of dynamic susceptibility contrast (DSC) MRI methods to assess brain tumors is often confounded by the extravasation of contrast agent (CA). Disruption of the blood-brain barrier allows CA to leak out of the vasculature leading to additional T(1), T(2) and T(2) relaxation effects in the extravascular space, thereby affecting the signal intensity time course in a complex manner. The goal of this study was to validate a dual-echo DSC-MRI approach that separates and quantifies the T(1) and T(2) contributions to the acquired signal and enables the estimation of the volume transfer constant, K(trans), and the volume fraction of the extravascular extracellular space, v(e). To test the validity of this approach, DSC-MRI- and dynamic contrast enhanced (DCE) MRI-derived K(trans) and v(e) estimates were spatially compared in both 9L and C6 rat brain tumor models. A high degree of correlation (concordance correlation coefficients >0.83, Pearson's r>0.84) and agreement was found between the DSC-MRI- and DCE-MRI-derived measurements. These results indicate that dual-echo DSC-MRI can be used to simultaneously extract reliable DCE-MRI kinetic parameters in brain tumors in addition to conventional blood volume and blood flow metrics.

  3. Methane from cattle waste: effects of temperature, hydraulic retention time, and influent substrate concentration on kinetic parameter (k)

    SciTech Connect

    Hashimoto, A.G.

    1982-09-01

    The effects of temperature (35 and 55 degrees C), influent volatile solids (VS) concentration (So equal to 43, 64, 82, 100, 128 kg VS/cu.m) and hydraulic retention time (HRT equal to 4, 5, 8, 10, 15, and 25 days) on methane (CH/sub 4/) production from cattle waste were evaluated using 3-d cu.m laboratory scale fermentors. The highest CH/sub 4/ production rate achieved was 6.11 cu.m CH/sub 4//cu.m fermentor/day at 55 degrees C, four days HRT, and So equal to 100 kg VS/cu.m. Batch fermentations showed an ultimate CH/sub 4/ yield (Bo) of 0.42 cu.m CH/sub 4//kg VS fed. The maximum loading rates for unstressed fermentation were 7 kg VS/cu.m/day at 35 degrees C and 20 kg VS/cu.m/day at 55 degrees C. The kinetic parameter (K, an increasing K indicates inhibition of fermentation) increased exponentially as So increased, and was described by : K equal to 0.8 plus 0.0016e 0.06So. Temperature had no significant effect on K for So between 40 and 100 kg VS/cu.m. The above equation predicted published K values for cattle waste within a mean standard error of 7%. (Refs. 11).

  4. A New General Method for Simultaneous Fitting of Temperature- and Concentration-Dependence of Reaction Rates Yields Kinetic and Thermodynamic Parameters for HIV Reverse Transcriptase Specificity.

    PubMed

    Li, An; Ziehr, Jessica L; Johnson, Kenneth A

    2017-03-02

    Recent studies have demonstrated the dominant role of induced-fit in enzyme specificity of HIV reverse transcriptase and many other enzymes. However, relevant thermodynamic parameters are lacking and equilibrium thermodynamic methods are of no avail because the key parameters can only determined by kinetic measurement. By modifying KinTek Explorer software, we present a new general method for globally fitting data collected over a range of substrate concentrations and temperatures and apply it to HIV reverse transcriptase. Fluorescence stopped-flow methods were used to record the kinetics of enzyme conformational changes that monitor nucleotide binding and incorporation. The nucleotide concentration dependence was measured at temperatures ranging from 5 to 37C and the raw data were fit globally to derive a single set of rate constants at 37C and a set of activation enthalpy terms to account for the kinetics at all other temperatures. This comprehensive analysis afforded thermodynamic parameters for nucleotide binding (Kd, ΔG, ΔH, ΔS at 37C), and kinetic parameters for enzyme conformational changes and chemistry (rate constants and activation enthalpy). Comparisons between wild-type enzyme and a mutant resistant to nucleoside analogs used to treat HIV infections reveal that the ground state binding is weaker and the activation enthalpy for the conformational change step is significantly larger for the mutant. Further studies to explore the structural underpinnings of the observed thermodynamics and kinetics of the conformational change step may help to design better analogs to treat HIV infections and other diseases. Our new method is generally applicable to enzyme and chemical kinetics.

  5. Spatial Variation of the Foil Parameters from in Situ Calibration of the JT-60U Imaging Bolometer Foil

    NASA Astrophysics Data System (ADS)

    Araghy, Homaira P.; Peterson, Byron J.; Hayashi, Hiromi; Konoshima, Shigeru; Ashikawa, Naoko; Seo, Dongcheol; JT-60U Team

    We obtained the local foil properties of the JT-60U imaging bolometer foil (a single graphite-coated gold foil with an effective area of 9 × 7 cm2 and a nominal thickness of 2.5 μm) such as the thermal diffusivity, κ, and the product of the thermal conductivity, k, and the thickness, tf , by calibrating some parts of the foil. Calibration of the foil was made in situ using a He-Ne laser (˜27 mW) as a known radiation source to heat the foil. The thermal images of the foil are provided by an infrared (IR) camera (microbolometer type). The parameters are determined by finite element modeling (FEM) of the foil temperature and comparing the solution to the experimental results. In this work we apply this calibration technique to investigate the spatial variation of the foil parameters. Significant variation in the local temperature rise of the foil due to local heating by the laser beam indicates a spatial variation of the foil parameters κ, k and tf. This variation is possibly due to nonuniformity in carbon coating and/or the thickness of the foil.

  6. SU-F-R-32: Evaluation of MRI Acquisition Parameter Variations On Texture Feature Extraction