WorldWideScience

Sample records for reported kinetic properties

  1. Kinetic properties of cyanase.

    Science.gov (United States)

    Anderson, P M; Little, R M

    1986-04-01

    Cyanase is an inducible enzyme in Escherichia coli that catalyzes the hydrolysis of cyanate. Bicarbonate is required for activity, perhaps as a substrate, and the initial product of the reaction is carbamate, which spontaneously breaks down to ammonia and bicarbonate [Anderson, P. M. (1980) Biochemistry 19, 2882]. The purpose of this study was to characterize the kinetic properties of cyanase. Initial velocity studies showed that both cyanate and bicarbonate act as competitive substrate inhibitors. A number of monovalent anions act as inhibitors. Azide and acetate appear to act as competitive inhibitors with respect to cyanate and bicarbonate, respectively. Chloride, bromide, nitrate, nitrite, and formate also inhibit, apparently as the result of binding at either substrate site. Malonate and several other dicarboxylic dianions at very low concentrations display "slow-binding", reversible inhibition which can be prevented by saturating concentrations of either substrate. The results are consistent with a rapid equilibrium random mechanism in which bicarbonate acts as a substrate, bicarbonate and cyanate bind at adjacent anion-binding sites, and both substrates can bind at the other substrate anion binding site to give a dead-end complex.

  2. Kinetic properties of fractal media

    CERN Document Server

    Chumak, Oleg V

    2016-01-01

    Kinetic processes in fractal stellar media are analyzed in terms of the approach developed in our earlier paper (Chumak, Rastorguev, 2016) involving a generalization of the nearest neighbor and random force distributions to fractal media. Diffusion is investigated in the approximation of scale-dependent conditional density based on an analysis of the solutions of the corresponding Langevin equations. It is shown that kinetic parameters (time scales, coefficients of dynamic friction, diffusion, etc.) for fractal stellar media can differ significantly both qualitatively and quantitatively from the corresponding parameters for a quasi-uniform random media with limited fluctuations. The most important difference is that in the fractal case kinetic parameters depend on spatial scale length and fractal dimension of the medium studied. A generalized kinetic equation for stellar media (fundamental equation of stellar dynamics) is derived in the Fokker-Planck approximation with the allowance for the fractal properties...

  3. Kinetic properties of fractal stellar media

    Science.gov (United States)

    Chumak, O. V.; Rastorguev, A. S.

    2017-01-01

    Kinetic processes in fractal stellar media are analysed in terms of the approach developed in our earlier paper involving a generalization of the nearest neighbour and random force distributions to fractal media. Diffusion is investigated in the approximation of scale-dependent conditional density based on an analysis of the solutions of the corresponding Langevin equations. It is shown that kinetic parameters (time-scales, coefficients of dynamic friction, diffusion, etc.) for fractal stellar media can differ significantly both qualitatively and quantitatively from the corresponding parameters for a quasi-uniform random media with limited fluctuations. The most important difference is that in the fractal case, kinetic parameters depend on spatial scalelength and fractal dimension of the medium studied. A generalized kinetic equation for stellar media (fundamental equation of stellar dynamics) is derived in the Fokker-Planck approximation with the allowance for the fractal properties of the spatial stellar density distribution. Also derived are its limit forms that can be used to describe small departures of fractal gravitating medium from equilibrium.

  4. Dynamic and kinetic properties of Al-Li melts

    Science.gov (United States)

    Kiselev, A. I.

    2008-12-01

    The dynamic and kinetic properties of Al-Li melts are calculated. The liquid phase of this system is shown to be characterized by three states with different ion distributions and different degrees of electron localization.

  5. Thermal Properties Measurement Report

    Energy Technology Data Exchange (ETDEWEB)

    Carmack, Jon [Idaho National Lab. (INL), Idaho Falls, ID (United States); Braase, Lori [Idaho National Lab. (INL), Idaho Falls, ID (United States); Papesch, Cynthia [Idaho National Lab. (INL), Idaho Falls, ID (United States); Hurley, David [Idaho National Lab. (INL), Idaho Falls, ID (United States); Tonks, Michael [Idaho National Lab. (INL), Idaho Falls, ID (United States); Zhang, Yongfeng [Idaho National Lab. (INL), Idaho Falls, ID (United States); Gofryk, Krzysztof [Idaho National Lab. (INL), Idaho Falls, ID (United States); Harp, Jason [Idaho National Lab. (INL), Idaho Falls, ID (United States); Fielding, Randy [Idaho National Lab. (INL), Idaho Falls, ID (United States); Knight, Collin [Idaho National Lab. (INL), Idaho Falls, ID (United States); Meyer, Mitch [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-08-01

    The Thermal Properties Measurement Report summarizes the research, development, installation, and initial use of significant experimental thermal property characterization capabilities at the INL in FY 2015. These new capabilities were used to characterize a U3Si2 (candidate Accident Tolerant) fuel sample fabricated at the INL. The ability to perform measurements at various length scales is important and provides additional data that is not currently in the literature. However, the real value of the data will be in accomplishing a phenomenological understanding of the thermal conductivity in fuels and the ties to predictive modeling. Thus, the MARMOT advanced modeling and simulation capability was utilized to illustrate how the microstructural data can be modeled and compared with bulk characterization data. A scientific method was established for thermal property measurement capability on irradiated nuclear fuel samples, which will be installed in the Irradiated Material Characterization Laboratory (IMCL).

  6. Extraction kinetics and properties of proanthocyanidins from pomegranate peel

    Science.gov (United States)

    With an objective of developing a safe and efficient method to extract proanthocyanidins products from pomegranate peel for use in nutraceuticals or as food additives, the effects of extraction parameters on the production efficiency, product properties, and extraction kinetics were systematically s...

  7. Striking dynamics and kinetic properties of boxing and MMA gloves

    Directory of Open Access Journals (Sweden)

    Benjamin Lee

    2014-08-01

    Full Text Available With the growing popularity of Mixed Martial Arts (MMA as a competitive sport, questions regarding the dynamic response and properties of MMA gloves arise. High-energy impacts from punches are very similar to boxing yet MMA competition requires the use of 4 oz fingerless glove, compared to the larger full enclosure boxing glove. This work assessed the kinetic properties and strike dynamics of MMA gloves and compared findings with traditional boxing gloves. Gloves mounted on a molded fist were impacted repetitively on an instrumental anvil designed for impact, over a 5 hour period resulting in 10,000 continuous and consistent strikes. Kinetic data from impacts were sampled at the beginning of the data collection and subsequently every 30 minutes (every 1,000 strikes. MMA gloves produced 4-5 times greater peak force and 5 times faster load rate compared to the boxing glove. However, MMA gloves also showed signs of material fatigue, with peak force increasing by 35% and rate of loading increasing by 60% over the duration of the test. Boxing glove characteristics did deteriorate but to a lesser extent. In summary, the kinetic properties of MMA glove differed substantially from the boxing glove resulting in impacts characterized by higher peak forces and more rapid development of force. Material properties including stiffness and thickness play a role in the kinetic characteristics upon impact, and can be inferred to alter injury mechanisms of blunt force trauma.

  8. Research in Chemical Kinetics. Annual Report, 1993

    Science.gov (United States)

    Rowland, F. S.

    1993-01-01

    Progress on the seven projects under this contract is reported. The projects are: (1) Chlorine atom reactions with vinyl bromide. Mass spectrometric investigations of the anti-Markownikoff rule. (2) Chlorine atom reactions with CF{sub 2}{double_bond}CFBr. (3) Gas phase thermal {sup 38}Cl reactions with (CH{sub 2}{double_bond}CH){sub n}M (M=Sn, Si, n=4; M=Sb, n=3; M=Hg, n=2). (4) Gas phase reactions of thermal chlorine atoms with (CH{sub 3}){sub 4}M (M=C, Si, Ge, Sn, Pb). (5) Hydrogen abstraction reactions by thermal chlorine atoms with HFCs, HCFCs, and halomethanes. (6) Half-stabilization pressure of chlorine atoms plus ethylene in a nitrogen bath. (7) {sup 14}C content of atmospheric OCS, C{sub 2}H{sub 6} and C{sub 3}H{sub 8}.

  9. Assessment of metabolic properties and kinetic parameters of methanogenic sludge by on-line methane production rate measurements

    NARCIS (Netherlands)

    Gonzalez-Gil, G.; Kleerebezem, R.; Lettinga, G.

    2002-01-01

    This report presents a new approach to studying the metabolic and kinetic properties of anaerobic sludge from single batch experiments. The two main features of the method are that the methane production is measured on-line with a relatively cheap system, and that the methane production data can be

  10. On Some Properties of the Landau Kinetic Equation

    Science.gov (United States)

    Bobylev, Alexander; Gamba, Irene; Potapenko, Irina

    2015-12-01

    We discuss some general properties of the Landau kinetic equation. In particular, the difference between the "true" Landau equation, which formally follows from classical mechanics, and the "generalized" Landau equation, which is just an interesting mathematical object, is stressed. We show how to approximate solutions to the Landau equation by the Wild sums. It is the so-called quasi-Maxwellian approximation related to Monte Carlo methods. This approximation can be also useful for mathematical problems. A model equation which can be reduced to a local nonlinear parabolic equation is also constructed in connection with existence of the strong solution to the initial value problem. A self-similar asymptotic solution to the Landau equation for large v and t is discussed in detail. The solution, earlier confirmed by numerical experiments, describes a formation of Maxwellian tails for a wide class of initial data concentrated in the thermal domain. It is shown that the corresponding rate of relaxation (fractional exponential function) is in exact agreement with recent mathematically rigorous estimates.

  11. PROPERTIES OF CP: COEFFICIENT OF THERMAL EXPANSION, DECOMPOSITION KINETICS, AND REACTION TO SPARK, FRICTION AND IMPACT

    Energy Technology Data Exchange (ETDEWEB)

    Weese, R K; Burnham, A K

    2005-09-28

    The properties of pentaamine (5-cyano-2H-tetrazolato-N2) cobalt (III) perchlorate (CP), which was first synthesized in 1968, continues to be of interest for predicting behavior in handling, shipping, aging, and thermal cook-off situations. We report coefficient of thermal expansion (CTE) values over four specific temperature ranges, decomposition kinetics using linear and isothermal heating, and the reaction to three different types of stimuli: impact, spark, and friction. The CTE was measured using a Thermal Mechanical Analyzer (TMA) for samples that were uniaxially compressed at 10,000 psi and analyzed over a dynamic temperature range of -20 C to 70 C. Differential scanning calorimetry, DSC, was used to monitor CP decomposition at linear heating rates of 1-7 C min{sup -1} in perforated pans and of 0.1-1.0 C min{sup -1} in sealed pans. The kinetic triplet was calculated using the LLNL code Kinetics05, and predictions for 210 and 240 C are compared to isothermal thermogravimetric analysis (TGA) experiments. Values are also reported for spark, friction, and impact sensitivity.

  12. A fundamental research on combustion chemical kinetic model’s precision property

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Uncertainty analysis was used to investigate the precision property of detailed chemical kinetic models.A general-purpose algorithm for assessing and evaluating the impact of uncertainties in chemical kinetic models is presented.The method was also validated through analysis of different kinetic mechanisms applied in the process of modeling NOx emission in methane flame. The algorithm,which provided a basis for further studies,was more efficient and general compared with other methods.

  13. Dose rate effects on the thermoluminescence kinetics properties of MWCVD diamond films

    Energy Technology Data Exchange (ETDEWEB)

    Gastelum, S.; Chernov, V.; Melendrez, R.; Soto-Puebla, D.; Pedroza-Montero, M.; Barboza-Flores, M. [Centro de Investigacion en Fisica, Universidad de Sonora, AP 5-088 Hermosillo, Sonora 83190 (Mexico); Cruz-Zaragoza, E. [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, AP 70-543 Mexico D.F. (Mexico); Favalli, A. [European Commission, Joint Research Centre, Institute for the Protection and the Security of the Citizen, TP800,Via E. Fermi, 21020 Ispra (Italy)

    2007-09-15

    Dose rate effects are important in thermoluminescent (TL) dosimeter applications because a certain absorbed dose given at different dose rates may result in a different TL yield. The present work reports about the dose rate effects on TL glow curves and kinetics properties of microwave plasma assisted chemical vapor deposition (MWCVD) diamond films grown on (100) silicon. The diamond films were exposed to {gamma} radiation at 20.67, 43.4 and 81.11 Gy min{sup -1} dose rates in the range of 0.05-10 kGy. The films showed a linear dose behavior up to 2 kGy and reached saturation for higher doses. The TL intensity varied as a function of dose rate and the samples had a maximum TL response for relatively lower dose rates. A single first order kinetics TL peak was typical for low doses while at higher doses two first order kinetics peaks were necessary to fit the glow curves. The results indicate that dose rate effects may be significant in dosimetric applications of MWCVD diamond. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  14. Kinetic Modelling of Macroscopic Properties Changes during Crosslinked Polybutadiene Oxidation

    Science.gov (United States)

    Audouin, Ludmila; Coquillat, Marie; Colin, Xavier; Verdu, Jacques; Nevière, Robert

    2008-08-01

    The thermal oxidation of additive free hydroxyl-terminated polybutadiene (HTPB) isocyanate crosslinked rubber bulk samples has been studied at 80, 100 and 120 °C in air. The oxidation kinetics has been monitored by gravimetry and thickness distribution of oxidation products was determined by FTIR mapping. Changes of elastic shear modulus G' during oxidation were followed during oxidation at the same temperatures. The kinetic model established previously for HTPB has been adapted for bulk sample oxidation using previously determined set of kinetic parameters. Oxygen diffusion control of oxidation has been introduced into the model. The mass changes kinetic curves and oxidation products profiles were simulated and adequate fit was obtained. Using the rubber elasticity theory the elastic modulus changes were simulated taking into account the elastically active chains concentration changes due to chain scission and crosslinking reactions. The reasonable fit of G' as a function of oxidation time experimental curves was obtained.

  15. A STUDY OF THE PROPERTIES OF CP: COEFFICIENT OF THERMAL EXPANSION, DECOMPOSITION KINETICS AND REACTION TO SPARK, FRICTION AND IMPACT

    Energy Technology Data Exchange (ETDEWEB)

    Weese, R K; Burnham, A K; Fontes, A T

    2005-03-30

    The properties of pentaamine (5-cyano-2H-tetrazolato-N2) cobalt (III) perchlorate (CP), which was first synthesized in 1968, continues to be of interest for predicting behavior in handling, shipping, aging, and thermal cook-off situations. We report coefficient of thermal expansion (CTE) values over four specific temperature ranges, decomposition kinetics using linear heating rates, and the reaction to three different types of stimuli: impact, spark, and friction. The CTE was measured using a Thermal Mechanical Analyzer (TMA) for samples that were uniaxially compressed at 10,000 psi and analyzed over a dynamic temperature range of -20 C to 70 C. Using differential scanning calorimetry, DSC, CP was decomposed at linear heating rates of 1, 3, and 7 C/min and the kinetic triplet calculated using the LLNL code Kinetics05. Values are also reported for spark, friction, and impact sensitivity.

  16. Deflection by kinetic impact: Sensitivity to asteroid properties

    Science.gov (United States)

    Bruck Syal, Megan; Michael Owen, J.; Miller, Paul L.

    2016-05-01

    Impacting an asteroid with a spacecraft traveling at high speed delivers an impulsive change in velocity to the body. In certain circumstances, this strategy could be used to deflect a hazardous asteroid, moving its orbital path off of an Earth-impacting course. However, the efficacy of momentum delivery to asteroids by hypervelocity impact is sensitive to both the impact conditions (particularly velocity) and specific characteristics of the target asteroid. Here we numerically model asteroid response to kinetic impactors under a wide range of initial conditions, using an Adaptive Smoothed Particle Hydrodynamics code. Impact velocities spanning 1-30 km/s were investigated, yielding, for a particular set of assumptions about the modeled target material, a power-law dependence consistent with a velocity-scaling exponent of μ = 0.44. Target characteristics including equation of state, strength model, porosity, rotational state, and shape were varied, and corresponding changes in asteroid response were documented. The kinetic-impact momentum-multiplication factor, β, decreases with increasing asteroid cohesion and increasing porosity. Although increased porosity lowers β, larger porosities result in greater deflection velocities, as a consequence of reduced target masses for asteroids of fixed size. Porosity also lowers disruption risk for kinetic impacts near the threshold of disruption. Including fast (P = 2.5 h) and very fast (P = 100 s) rotation did not significantly alter β but did affect the risk of disruption by the impact event. Asteroid shape is found to influence the efficiency of momentum delivery, as local slope conditions can change the orientation of the crater ejecta momentum vector. These results emphasize the need for asteroid characterization studies to bracket the range of target conditions expected at near-Earth asteroids while also highlighting some of the principal uncertainties associated with the kinetic-impact deflection strategy.

  17. Gelation kinetics and viscoelastic properties of pluronic and α-cyclodextrin-based pseudopolyrotaxane hydrogels.

    Science.gov (United States)

    Pradal, Clementine; Jack, Kevin S; Grøndahl, Lisbeth; Cooper-White, Justin J

    2013-10-14

    The results of a systematic investigation into the gelation behavior of α-cyclodextrin (α-CD) and Pluronic (poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) block copolymers) pseudopolyrotaxane (PPR) hydrogels are reported here in terms of the effects of temperature, α-CD concentration, and Pluronic type (Pluronic F68 and Pluronic F127). It was found that α-CD significantly modifies the gelation behavior of Pluronic solutions and that the PPR hydrogels are highly sensitive to changes in the α-CD concentration. In some cases, the addition of α-CD was found to be detrimental to the gelation process, leading to slower gelation kinetics and weaker gels than with Pluronic alone. However, in other cases, the hydrogels formed in the presence of the α-CDs reached higher moduli and showed faster gelation kinetics than with Pluronic alone and in some instances α-CD allowed the formation of hydrogels from Pluronic solutions that would normally not undergo gelation. Depending on composition and ratio of α-CD/Pluronic, these highly viscoelastic hydrogels displayed elastic shear modulus values ranging from 2 kPa to 7 MPa, gelation times ranging from a few seconds to a few hours and self-healing behaviors post failure. Using dynamic light scattering (DLS) and small-angle X-ray scattering (SAXS), we probed the resident structure of these systems, and from these insights we have proposed a new molecular mechanism that accounts for the macroscopic properties observed.

  18. Thermochemical Properties and Decomposition Kinetics of Ammonium Magnesium Phosphate Monohydrate

    Institute of Scientific and Technical Information of China (English)

    WU,Jian; YUAN,Ai-Qun; HUANG,Zai-Yin; TONG,Zhang-Fa; CHEN,Jie; LIANG,Rong-Lan

    2007-01-01

    Ammonium magnesium phosphate monohydrate NH4MgPO4·H2O was prepared via solid state reaction at room temperature and characterized by XRD, FT-IR and SEM. Thermochemical study was performed by an isoperibol solution calorimeter, non-isothermal measurement was used in a multivariate non-linear regression analysis to determine the kinetic reaction parameters. The results show that the molar enthalpy of reaction above is (28.795±0.182) kJ/mol (298.15 K), and the standard molar enthalpy of formation of the title complex is (-2185.43±13.80)kJ/mol (298.15 K). Kinetics analysis shows that the second decomposition of NH4MgPO4·H2O acts as a double-step reaction: an nth-order reaction (Fn) with n=4.28, E1=147.35 kJ/mol, A1=3.63×1013 s-1 is followed by a second-order reaction (F2) with E2=212.71 kJ/mol, A2= 1.82×1018 s-1.

  19. Determination of solvation kinetics in supercritical fluids. Summary report

    Energy Technology Data Exchange (ETDEWEB)

    Bright, F.V.

    1993-01-01

    Objective was to study solvation processes in pure and entrainer-modified supercritical fluids. Specific topics were: Kinetics for solvation in supercritical media, influence on entrainers on solvation, reversibility of solvation, effects of solvation on intramolecular solute-solute interaction kinetics, and impact of fluid density on these processes. Time-resolved fluorescence spectroscopy was used as the main analytical tool. A summary is given of the 2.5 years` research.

  20. Kinetic properties of small one-dimensional Ising magnetic

    Science.gov (United States)

    Udodov, Vladimir; Spirin, Dmitriy; Katanov Khakas State University Team

    2011-03-01

    Within the framework of a generalized Ising model, a one-dimensional magnetic of a finite length with free ends is considered. The correlation length critical exponent ν and kinetic critical exponent z of the magnet is calculated taking into account the next nearest neighbor interactions and the external field. Of special interest are non-equilibrium processes taking place within the critical temperature interval, which are characterized critical exponent y and dynamic critical index z . Due to significant difficulties encountered in the experimental investigations (e.g., measurement of z) , a natural solution to this complex problem would be modeling of those non-eqilibrium processes. This work addresses non-equilibrium processes in one-dimensional magnetics. Using the Monte Carlo method, an equilibrium critical exponent of the correlation length ν and the dynamic critical index z are calculated for a finite-size magnetic.

  1. Typical Lignocellulose-degrading Enzymes: a Synthesis of Kinetic Properties

    Science.gov (United States)

    Wang, G.; Post, W. M.; Mayes, M. A.; Frerichs, J.; Jagadamma, S.

    2011-12-01

    While soil enzymes have been explicitly included in the soil organic carbon (SOC) decomposition models, there are big concerns on the model parameterization. Our object is to study the kinetic parameters of five typical lignocellulose-degrading enzymes through literature research and data synthesis. The kinetic parameters refer to the maximum specific enzyme activity (Vmax) and half-saturation constant (Km) in the Michaelis-Menton equation. The Activation energy (Ea) and the pH optimum and sensitivity (pHopt and pHsen) were also analyzed. pHsen was estimated by curve fitting of an exponential-quadratic function. The Vmax values in different units under various conditions were converted into the same units at a reference temperature (20°C) and optimum pH. The scaling issue on Vmax and Km and the effects of soil temperature, pH, and SWC were discussed later. Major findings are summarized as follows. (i) Both Vmax and Km are log-normal distributed. (ii) No significant difference in Vmax is found between groups (ligninases and cellulases). The one-standard-deviation interval of Vmax falls within 10-1000 (mean ≈ 100) mg C mg^-1 Enz h^-1. However, there is significant difference in Km between groups. (iii) Significant difference in activation energy, i.e., 53±17 and 37±15 kJ mol^-1 is found for ligninases and cellulases, respectively. (iv) Both ligninases and cellulases prefer to acid environment. The average ratio of pHsen to pHopt ranges 0.3-0.4 and the optimum pH for ligninases is significantly lower than pHopt for cellulases. (v) A preliminary analysis of Vmax indicates a scaling factor 0.01-0.1 for transforming the Vmax from lab measurements to SOC decomposition models. This study provides useful information for the parameterization of enzyme-driven SOC decomposition models.

  2. Kinetic properties and inhibition of Acinetobacter glutaminase-asparaginase.

    Science.gov (United States)

    Steckel, J; Roberts, J; Philips, F S; Chou, T C

    1983-03-15

    Kinetic parameters, substrate specificity and exclusivity of ligands at binding sites of L-glutaminase-L-asparaginase purified from Acinetobacter glutaminasificans were studied in order to gain knowledge about the dual activities of this enzyme and its inhibition by structural analogs. Both L-glutamine and L-asparagine, which showed similar Km (4 approximately 7 X 10(-5) M) and Vmax (molecular activity 1.0 min-1) values, were competitive with each other for the substrate binding site. The products, L-glutamic acid and L-aspartic acid, showed competitive inhibition with respect to either L-glutamine or L-asparagine as substrates. Multiple inhibition of the glutaminase activity by L-glutamic acid and L-aspartic acid indicated that these ligands are mutually exclusive at the product-releasing site. The initial rates of both of the enzyme's activities were competitively inhibited by the following inhibitors (in rates of both of the enzyme's activities were competitively inhibited by the following inhibitors (in decreasing order of activity): 6-diazo-5-oxo-L-norleucine (DON), L-methionine sulfoximine, azaserine, and Acivicin. DON and azaserine inhibited both the asparaginase and glutaminase activities in a time-dependent and irreversible manner. The kinetic data suggest an ordered mechanism with glutamine or asparagine as the first substrate and glutamic acid or aspartic acid, respectively, as the last product. These results also suggest that a single mechanism and a single set of binding sites are responsible for catalyzing both of the enzyme's activities. The data also showed that succinylated enzyme, which has a 10-fold increase of plasma half-life in animals and humans and, thus, has benefit as a cancer chemotherapeutic agent, retained its catalytic activity and maintained Km and Vmax values similar to the native enzyme.

  3. Function, kinetic properties, crystallization, and regulation of microbial malate dehydrogenase

    Institute of Scientific and Technical Information of China (English)

    Tóshiko TAKAHASHI-ÍÑIGUEZ; Nelly ABURTO-RODRÍGUEZ; Ana Laura VILCHIS-GONZÁLEZ; María Elena FLORES

    2016-01-01

    题目:微生物苹果酸脱氢酶的功能、动力学特征、晶体结构以及调控概苹果酸脱氢酶(MDH)广泛存在于动物、植物以及微生物体内,是生物体进行糖代谢的关键酶之一。在辅酶I(NAD+)或辅酶II(NADP+)的作用下,能够催化草酰乙酸和苹果酸之间相互转化。虽然目前真核微生物中MDH已被广泛研究,但是对原核生物中的这种酶却鲜有报道。因此,有必要对MDH的相关研究信息进行综述,以期更好地了解这种酶的功能。本文综述了细菌相关研究的各种数据信息,进一步挖掘MDH的分子多样性,包括分子量、低聚态、辅因子与底物的结合力,以及酶反应方向的差异等。通过对不同细菌来源的MDH的晶体结构的分析,可鉴别底物与辅因子结合的部位以及形成二聚体的重要残基。对这些结构信息的了解将有利于指导研究人员对酶的结构进行修饰从而提高其催化能力,比如增加酶的活性、辅助因子的结合能力、底物特异性和热稳定性等。另外,本文通过分析比较MDH 系统发生树的重建,将其蛋白超家族分成两个主分支,同时在古生菌、细菌和真核微生物等不同细胞的MDH之间建立联系。%Malate dehydrogenase (MDH) is an enzyme widely distributed among living organisms and is a key protein in the central oxidative pathway. It catalyzes the interconversion between malate and oxaloacetate using NAD+ or NADP+ as a cofactor. Surprisingly, this enzyme has been extensively studied in eukaryotes but there are few reports about this enzyme in prokaryotes. It is necessary to review the relevant information to gain a better understanding of the function of this enzyme. Our review of the data generated from studies in bacteria shows much diversity in their molecular properties, including weight, oligomeric states, cofactor and substrate binding affinities, as wel as differ-ences in the direction

  4. Kinetic properties of an inulosucrase from Lactobacillus reuteri 121

    NARCIS (Netherlands)

    van Hijum, SAFT; van der Maarel, MJEC; Dijkhuizen, L

    2003-01-01

    Inulosucrases catalyze transfer of a fructose moiety from sucrose to a water molecule (hydrolysis) or to an acceptor molecule (transferase), yielding inulin. Bacterial inulin production is rare and a biochemical analysis of inulosucrase enzymes has not been reported. Here we report biochemical

  5. Kinetic properties of an inulosucrase from Lactobacillus reuteri 121

    NARCIS (Netherlands)

    van Hijum, SAFT; van der Maarel, MJEC; Dijkhuizen, L

    2003-01-01

    Inulosucrases catalyze transfer of a fructose moiety from sucrose to a water molecule (hydrolysis) or to an acceptor molecule (transferase), yielding inulin. Bacterial inulin production is rare and a biochemical analysis of inulosucrase enzymes has not been reported. Here we report biochemical chara

  6. Crystallisation kinetics and optical properties of Ge sub 2 Sb sub 2 Te sub 5

    CERN Document Server

    Ruitenberg, G

    2001-01-01

    systems. E sub p , DELTA and GAMMA were determined before and after crystallisation of amorphous Ge sub 2 Sb sub 2 Te sub 5 films. From the numerical values of these parameters, it was concluded that the change in the reflectivity upon crystallisation is primarily due to the change in DELTA. The change in the co-ordination of nearest neighbours upon crystallisation was investigated. The topological co-ordination was found to be very similar in both phases. The change in the optical properties is thought to be due to the change in chemical order of the nearest neighbours. This thesis reports on the work carried out by the on the crystallisation kinetics and optical properties of thin amorphous Ge sub 2 Sb sub 2 Te sub 5 films. This study is prompted by the application of these films in optical phase change recording media. The work is partly theoretical and partly experimental in nature. Starting from the general nucleation and growth theory, it was shown that the Johnson-MehI-Avrami-Kolmogorov (JMAK) equation...

  7. INTELLECTUAL PROPERTY: ACCOUNTING AND REPORTING

    Directory of Open Access Journals (Sweden)

    RIZAYEV NURBEK KADIROVICH

    2010-12-01

    Full Text Available Intellectual Property (IP is a set of exclusive rights to both personal and material nature on the intellectual and creative activity. Using the income method value of intellectual property is defined as its ability to bring a buyer or investor to profit in the future and is equal to the current value of net income, which can be obtained from the use of IP for the estimated economically sound life. Analysis and discussion is presented herein.

  8. Reaction Kinetic Parameters and Surface Thermodynamic Properties of Cu2O Nanocubes

    Directory of Open Access Journals (Sweden)

    Xingxing Li

    2015-07-01

    Full Text Available Cuprous oxide (Cu2O nanocubes were synthesized by reducing Cu(OH2 in the presence of sodium citrate at room temperature. The samples were characterized in detail by field-emission scanning electron microscopy, transmission electron microscopy, high-resolution transmission electron microscopy, X-ray powder diffraction, and N2 absorption (BET specific surface area. The equations for acquiring reaction kinetic parameters and surface thermodynamic properties of Cu2O nanocubes were deduced by establishment of the relations between thermodynamic functions of Cu2O nanocubes and these of the bulk Cu2O. Combined with thermochemical cycle, transition state theory, basic theory of chemical thermodynamics, and in situ microcalorimetry, reaction kinetic parameters, specific surface enthalpy, specific surface Gibbs free energy, and specific surface entropy of Cu2O nanocubes were successfully determined. We also introduced a universal route for gaining reaction kinetic parameters and surface thermodynamic properties of nanomaterials.

  9. Vulcanization Kinetics and Mechanical Properties of Ethylene Propylene Diene Monomer Thermal Insulation

    Directory of Open Access Journals (Sweden)

    Mohamad Irfan Fathurrohman

    2015-07-01

    Full Text Available The vulcanization kinetics of Ethylene-propylene diene monomer (EPDM rubber thermal insulation was studied by using rheometer under isothermal condition at different temperatures. The rheometry analysis was used to determining the cure kinetic parameters and predicting the cure time of EPDM thermal insulation. The experimental results revealed that the curing curves of EPDM thermal insulation were marching and the optimum curing time decreased with increasing the temperature. The kinetic parameters were determined from the autocatalytic model showed close fitting with the experimental results, indicating suitability of autocatalytic model in characterizing the cure kinetics. The activation energy was determined from the autocatalytic model is 46.3661 kJ mol-1. The cure time were predicted from autocatalytic model and the obtained kinetic parameter by using the relationship among degree of conversion, cure temperature, and cure time. The predictions of cure time provide information for the actual curing characteristic of EPDM thermal insulation. The mechanical properties of EPDM thermal insulation with different vulcanization temperatures showed the same hardness, tensile strength and modulus at 300%, except at temperature 70 °C, while the elongation at breaking point decreased with increasing temperature of vulcanization. © 2015 BCREC UNDIP. All rights reservedReceived: 8th April 2014; Revised: 7th January 2015; Accepted: 16th January 2015How to Cite: Fathurrohman, M.I., Maspanger, D.R., Sutrisno, S. (2015. Vulcanization Kinetics and Mechanical Properties of Ethylene Propylene Diene Monomer Thermal Insulation. Bulletin of Chemi-cal Reaction Engineering & Catalysis, 10 (2, 104-110. (doi:10.9767/bcrec.10.2.6682.104-110Permalink/DOI: http://dx.doi.org/10.9767/bcrec.10.2.6682.104-110 

  10. The kinetics of the gasification of black liquor. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Richards, Tobias; Theliander, Hans; Wintoko, Joko [Chalmers Univ. of Technology, Goeteborg (Sweden). Forest Products and Chemical Engineering

    2004-05-01

    Within the project, a special equipment has been manufactured in order to perform gasification experiments on single black liquor droplets. There are possibilities with the equipment to dynamically measure the weight of the droplet as well as its center temperature. Furthermore, some key gases (CO{sub 2}, CO, H{sub 2}S, CH{sub 4} and SO{sub 2}) are continuously measured. It is also possible to follow the gasification stages visually through a glass window. Parallel with this, a mathematical model has been developed to describe the gasification. It consists of both reaction kinetics and transport phenomenon. As a first step, the temperature profile was modeled and after that the model has been expanded to describe the swelling.

  11. CURING KINETICS AND PROPERTIES OF ACRYLIC RESIN CURED WITH AZIRIDINE CROSSLINKER

    Institute of Scientific and Technical Information of China (English)

    Fei Xie; Zong-hui Liu; De-qing Wei

    2002-01-01

    A kind of aziridine crosslinkers was synthesized and used to crosslink acrylate copolymers. The crosslinking properties and curing kinetics of the resin were studied. It was found that with the increase of the content of crosslinker in the emulsion, the mechanical properties and solvent resistance of the resin will be apparently improved, but its glass transition temperature (Tg) is very low. The lowest amount of crosslinker used in the acrylic resin emulsion is 0.25%. Curing kinetics studied by DSC show that this curing reaction occurs readily because the apparent activation energy of the reaction is low(65.1 KJ/mol). These results demonstrate that the aziridine crosslinker is indeed a low temperature crosslinking agent and can be used at room temperature.

  12. Thermodynamic and Kinetic Properties of Shocks in Two-Dimensional Yukawa Systems

    Science.gov (United States)

    Marciante, M.; Murillo, M. S.

    2017-01-01

    Particle-level simulations of shocked plasmas are carried out to examine kinetic properties not captured by hydrodynamic models. In particular, molecular dynamics simulations of 2D Yukawa plasmas with variable couplings and screening lengths are used to examine shock features unique to plasmas, including the presence of dispersive shock structures for weak shocks. A phase-space analysis reveals several kinetic properties, including anisotropic velocity distributions, non-Maxwellian tails, and the presence of fast particles ahead of the shock, even for moderately low Mach numbers. We also examine the thermodynamics (Rankine-Hugoniot relations) of recent experiments [Phys. Rev. Lett. 111, 015002 (2013), 10.1103/PhysRevLett.111.015002] and find no anomalies in their equations of state.

  13. Properties of the kinetic energy budgets in wall-bounded turbulent flows

    Science.gov (United States)

    Zhou, Ang; Klewicki, Joseph

    2016-08-01

    Available high-quality numerical simulation data are used to investigate and characterize the kinetic energy budgets for fully developed turbulent flow in pipes and channels, and in the zero-pressure gradient turbulent boundary layer. The mean kinetic energy equation in these flows is empirically and analytically shown to respectively exhibit the same four-layer leading-order balance structure as the mean momentum equation. This property of the mean kinetic energy budget provides guidance on how to group terms in the more complicated turbulence and total kinetic energy budgets. Under the suggested grouping, the turbulence budget shows either a two- or three-layer structure (depending on channel or pipe versus boundary layer flow), while the total kinetic energy budget exhibits a clear four-layer structure. These layers, however, differ in position and size and exhibit variations with friction Reynolds number (δ+) that are distinct from the layer structure associated with the mean dynamics. The present analyses indicate that each of the four layers is characterized by a predominance of a reduced set of the grouped terms in the governing equation. The width of the third layer is mathematically reasoned to scale like δ+-√{δ+} at finite Reynolds numbers. In the boundary layer the upper bounds of both the second and third layers convincingly merge under this normalization, as does the width of the third layer. This normalization also seems to be valid for the width of the third layer in pipes and channels, but only for δ+>1000 . The leading-order balances in the total kinetic energy budget are shown to arise from a nontrivial interweaving of the mean and turbulence budget contributions with distance from the wall.

  14. Mechanisms of starch digestion by α-amylase-Structural basis for kinetic properties.

    Science.gov (United States)

    Dhital, Sushil; Warren, Frederick J; Butterworth, Peter J; Ellis, Peter R; Gidley, Michael J

    2017-03-24

    Recent studies of the mechanisms determining the rate and extent of starch digestion by α-amylase are reviewed in the light of current widely-used classifications for (a) the proportions of rapidly-digestible (RDS), slowly-digestible (SDS), and resistant starch (RS) based on in vitro digestibility, and (b) the types of resistant starch (RS 1,2,3,4…) based on physical and/or chemical form. Based on methodological advances and new mechanistic insights, it is proposed that both classification systems should be modified. Kinetic analysis of digestion profiles provides a robust set of parameters that should replace the classification of starch as a combination of RDS, SDS, and RS from a single enzyme digestion experiment. This should involve determination of the minimum number of kinetic processes needed to describe the full digestion profile, together with the proportion of starch involved in each process, and the kinetic properties of each process. The current classification of resistant starch types as RS1,2,3,4 should be replaced by one which recognizes the essential kinetic nature of RS (enzyme digestion rate vs. small intestinal passage rate), and that there are two fundamental origins for resistance based on (i) rate-determining access/binding of enzyme to substrate and (ii) rate-determining conversion of substrate to product once bound.

  15. Adsorptive Thermodynamic Properties and Kinetics of trans-1,2- Cyclohexandiol onto AB-8 Resin

    Institute of Scientific and Technical Information of China (English)

    谢艳新; 侯丽丽; 杨倩; 蒋登高

    2012-01-01

    AB-8 resin was used as an adsorbent for the removal of trans-1,2-cyclohexandiol(CHD) from aqueous solutions.Batch experiments were carried out to investigate the effect of contact time and temperature on sorption efficiency.The adsorptive thermodynamic properties and kinetics of CHD from water onto AB-8 resin were studied.The Langmuir and Freundlich isotherm models were employed to discuss the adsorption behavior.Thermodynamic parameters such as G,H and S were calculated.The results indicate that the equilibrium data are perfectly represented by Langmuir isotherm model.Thermodynamic study reveals that it is an exothermic process in nature and mainly physical adsorption enhanced by chemisorption with a decrease of entropy process.The kinetics of CHD adsorption is well described by the pseudo second-order model.The adsorbed CHD can be eluted from AB-8 resin by 5% ethanol aqueous solution with 100% elution percentage.

  16. Correlation of Impact Conditions, Interface Reactions, Microstructural Evolution, and Mechanical Properties in Kinetic Spraying of Metals: A Review

    Science.gov (United States)

    Kim, Jaeick; Lee, Changhee

    2016-09-01

    In the past, most studies into kinetic spraying technology focused on basic research, but a large portion of current research is devoted to industrial applications of the technology. To advance, however, studies about industrial applications of kinetic spraying require profound understanding of the scientific foundations of the kinetic spray process. Nevertheless, no one has yet provided a well-organized summary of the correlations among impact conditions, interface reactions, microstructural evolution, and mechanical properties across the whole field of kinetic spraying technology. This paper provides such an overview of these correlations for kinetic spraying of metals. For each correlation, the interactions between the given conditions and the material properties of the metal feedstock powder are the most influential. These interactions are so complicated that it is difficult to systematically classify all cases into certain types. Nonetheless, we try to explain and summarize the critical factors and their roles in each relationship.

  17. Correlation of Impact Conditions, Interface Reactions, Microstructural Evolution, and Mechanical Properties in Kinetic Spraying of Metals: A Review

    Science.gov (United States)

    Kim, Jaeick; Lee, Changhee

    2016-12-01

    In the past, most studies into kinetic spraying technology focused on basic research, but a large portion of current research is devoted to industrial applications of the technology. To advance, however, studies about industrial applications of kinetic spraying require profound understanding of the scientific foundations of the kinetic spray process. Nevertheless, no one has yet provided a well-organized summary of the correlations among impact conditions, interface reactions, microstructural evolution, and mechanical properties across the whole field of kinetic spraying technology. This paper provides such an overview of these correlations for kinetic spraying of metals. For each correlation, the interactions between the given conditions and the material properties of the metal feedstock powder are the most influential. These interactions are so complicated that it is difficult to systematically classify all cases into certain types. Nonetheless, we try to explain and summarize the critical factors and their roles in each relationship.

  18. Kinetics assisted design of catalysts for coal liquefaction. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Klein, M.T.; Foley, H.C.; Calkins, W.H.; Scouten, C.

    1998-02-01

    The thermal and catalytic reactions of 4-(1-naphthylmethyl)bibenzyl (NBBM), a resid and coal model compound, were examined. Catalytic reaction of NBBM was carried out at 400 C under hydrogen with a series of transition metal-based catalytic materials including Fe(CO){sub 4}PPh{sub 3}, Fe(CO){sub 3}(PPh{sub 3}){sub 2}, Fe(CO){sub 2}(PPh{sub 3}){sub 2}CS{sub 2}, Fe(CO){sub 5}, Mo(CO){sub 6}, Mn{sub 2}(CO){sub 10}, Fe{sub 2}O{sub 3} and MoS{sub 2}. Experimental findings and derived mechanistic insights were organized into molecular-level reaction models for NBBM pyrolysis and catalysis. Hydropyrolysis and catalysis reaction families occurring during NBBM hydropyrolysis at 420 C were summarized in the form of reaction matrices which, upon exhaustive application to the components of the reacting system, yielded the mechanistic reaction model. Each reaction family also had an associated linear free energy relationship (LFER) which provided an estimate of the rate constant k{sub i} given a structural property of species i or its reaction. Including the catalytic reaction matrices with those for the pyrolysis model provided a comprehensive NBBM catalytic reaction model and allowed regression of fundamental LFER parameters for the catalytic reaction families. The model also allowed specification of the property of an optimal catalyst. Iron, molybdenum and palladium were predicted to be most effective for model compound consumption. Due to the low costs associated with iron and its disposal, it is a good choice for coal liquefaction catalysis and the challenge remains to synthesize small particles able to access the full surface area of the coal macromolecule.

  19. An investigation of the dosimetric and kinetic properties of sand using ESR and TL techniques.

    Science.gov (United States)

    Aydaş, Canan; Aydın, Talat

    2015-07-01

    In this research, the general dosimetric and kinetic properties of sand from a beach in southern Turkey were investigated using electron spin resonance (ESR) and thermoluminescence (TL) techniques. The ESR dose response curve presents linear behaviour in the dose range of 250-1000 Gy followed by sublinear behaviour in the dose range of 2-8 kGy. Kinetic behaviors and activation energy of the free radical were also calculated using the data obtained from annealing studies performed at four different temperatures (220, 240, 260 and 280°C). The activation energy value was calculated as 1.47 eV. The long-term fading of the ESR signal at room temperature turned out to be best described by a second-order kinetic decay function. The presence of measurable ESR signal intensity even after a storage period of 90 days was considered as providing an opportunity in the dose estimation of irradiated sand sample. Although the TL glow curve of the natural (unirradiated) sand sample only has a single broad peak at 317°C, the glow curve of the irradiated sample has four glow peaks located at ~115°C, ~156°C, ~231°C and ~308°C and their intensity tends to be increased with absorbed dose.Tmax-Tstop and glow curve fitting results showed that presence of at least five peaks located at ∼116°C, 149°C, 228°C, 306°C and 360°C. This result suggests that the apparently single glow peak D may consist of two or more overlapping glow peaks. According to the thermal fading of the sand sample at room temperature, the TL signal intensities (23°C and 308°C) were found to be quite large after 30 days of storage this allows a more accurate measurement of the glow peak intensity. The additive dose method, variable heating rate method (VHRM), Tmax-Tstop and glow curve fitting method were used to number of peaks, dosimetric properties and kinetic parameters. This study shows that ESR and TL techniques could be successfully used to investigate the kinetics and dosimetric properties of sand

  20. Luminescent and kinetic properties of the polystyrene composites based on BaF2 nanoparticles

    Science.gov (United States)

    Demkiv, T. M.; Halyatkin, O. O.; Vistovskyy, V. V.; Gektin, A. V.; Voloshinovskii, A. S.

    2016-02-01

    Luminescence-kinetic properties of polystyrene composites based on BaF2 nanoparticles were studied. The electron emission from the nanoparticles due to the photoelectric effect is the main luminescence excitation mechanism in the case of polystyrene composites loaded with small BaF2 nanoparticles (~20 nm). Scintillation pulse of polystyrene composites possesses only fast decay component with the time constant τ~2 ns, and its emission intensity considerably exceeds the one for pure polystyrene scintillator upon the X-ray excitations.

  1. Luminescent and kinetic properties of the polystyrene composites based on BaF{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Demkiv, T.M.; Halyatkin, O.O.; Vistovskyy, V.V. [Ivan Franko National University of Lviv, 8a Kyryla i Mefodiya Street, 79005 Lviv (Ukraine); Gektin, A.V. [Institute for Scintillation Materials, NAS of Ukraine, 60 Lenina Avenue, 61001 Kharkiv (Ukraine); Voloshinovskii, A.S. [Ivan Franko National University of Lviv, 8a Kyryla i Mefodiya Street, 79005 Lviv (Ukraine)

    2016-02-21

    Luminescence-kinetic properties of polystyrene composites based on BaF{sub 2} nanoparticles were studied. The electron emission from the nanoparticles due to the photoelectric effect is the main luminescence excitation mechanism in the case of polystyrene composites loaded with small BaF{sub 2} nanoparticles (~20 nm). Scintillation pulse of polystyrene composites possesses only fast decay component with the time constant τ~2 ns, and its emission intensity considerably exceeds the one for pure polystyrene scintillator upon the X-ray excitations.

  2. [Substrate specificity and kinetic properties of a soluble nucleoside triphosphatase from bovine kidneys].

    Science.gov (United States)

    Sivuk, V F; Rusina, I M; Luchko, T A; Makarchikov, A F

    2008-01-01

    Soluble nucleoside triphosphatase differing in its properties from all known proteins with NTPase activity was partially purified from bovine kidneys. The enzyme has pH optimum of 7.5, molecular mass of 60 kDa, as estimated by gel chromatography, and shows an absolute dependence on divalent metal ions. NTPase obeyed Michaelis-Menten kinetics in the range of substrate concentration tested from 45 to 440 microM; the apparent Km for inosine-5'-triphosphate was calculated to be 23.3 microM. The enzyme was found to possess a broad substrate specificity, being capable of hydrolyzing various nucleoside-5'-tri- as well as diphosphates.

  3. Kinetic Control of Aqueous Hydrolysis: Modulating Structure/Property Relationships in Inorganic Crystals

    Science.gov (United States)

    Neilson, James R.

    2011-12-01

    A grand challenge in materials science and chemistry revolves around the preparation of materials with desired properties by controlling structure on multiple length scales. Biology approaches this challenge by evolving tactics to transform soluble precursors into materials and composites with macro-scale and atomic precision. Studies of biomineralization in siliceous sponges led to the discovery of slow, catalytic hydrolysis of molecular precursors in the biogenesis of silica skeletal elements with well defined micro- and nano-scale architectures. However, the role of aqueous hydrolysis in the limit of kinetic control is not well understood; this allows us to form a central hypothesis: that the kinetics of hydrolysis modulate the structures of materials and their properties. As a model system, the diffusion of a simple hydrolytic catalyst (such as ammonia) across an air-water interface into a metal salt solution reproduces some aspects of the chemistry found in biomineralization, namely kinetic and vectorial control. Variation of the catalyst concentration modulates the hydrolysis rate, and thus alters the resulting structure of the inorganic crystals. Using aqueous solutions of cobalt(II) chloride, each product (cobalt hydroxide chloride) forms with a unique composition, despite being prepared from identical mother liquors. Synchrotron X-ray total scattering methods are needed to locate the atomic positions in the material, which are not aptly described by a traditional crystallographic unit cell due to structural disorder. Detailed definition of the structure confirms that the hydrolysis conditions systematically modulate the arrangement of atoms in the lattice. This tightly coupled control of crystal formation and knowledge of local and average structures of these materials provides insight into the unusual magnetic properties of these cobalt hydroxides. The compounds studied show significant and open magnetization loops with little variation with composition

  4. Starch and fiber properties affect their kinetics of digestion and thereby digestive physiology in pigs.

    Science.gov (United States)

    Zijlstra, R T; Jha, R; Woodward, A D; Fouhse, J; van Kempen, T A T G

    2012-12-01

    Traditionally in swine nutrition, analyses of starch and fiber have focused on assessing quantity; however, both have a wide range of functional properties making them underappreciated nutrients. Starch ranging from low to high amylose changes from rapidly digestible in the upper gut to poorly digestible but fermentable in the lower gut thereby changing from a source of glucose to VFA source. Likewise, fibers ranging from low to high viscosity affect digesta flow and from slowly to rapidly fermentable alter production of VFA serving as energy for the gut or whole body. Our hypothesis is that total extent, kinetics, and site of digestion or fermentation of starch and fiber are important for whole body nutrient use and intestinal health. To elucidate their effects, we developed in vitro, lab-based methodologies to describe kinetics of digestion and fermentation and linked these with in vivo models including i) ileum cannulation to collect digesta, ii) portal-vein catheterization to sequentially sample blood, iii) slaughter method to collect site-specific intestinal tissue and digesta, and iv) indirect calorimetry. Using these methods, kinetics of nutrient absorption was associated with pancreatic and intestinal hormones released into the portal vein, intestinal microbiota, and gene expression in intestinal tissue and microbiota. These studies confirmed that slowly digestible starch is partially degraded in the distal small and large intestine and fermented into VFA including butyrate (10-fold increase in net portal appearance), which reduces insulin responses by 60% and whole body energy use. Starch entering the distal intestine altered mRNA abundance of nutrient transporters and was bifidogenic. Extremely viscous purified fiber dampened glycemic responses and reduced digesta passage rate by 50% thereby increasing ileal digestion of dietary nutrients whereas increased fiber in feed grains reduced nutrient digestibility. Fermentable fiber increased butyrate and

  5. Effect of surface properties of elastomer colloids on their coalescence and aggregation kinetics.

    Science.gov (United States)

    Gauer, Cornelius; Wu, Hua; Morbidelli, Massimo

    2009-10-20

    We study the aggregation kinetics of two elastomer colloids with similar bulk polymer properties but with different surface charge groups in order to understand the role of the surface properties in particle coalescence during aggregation. It is confirmed that clusters of the elastomer particles stabilized purely by ionic surfactants coalesce in both reaction-limited and diffusion-limited aggregation (RLCA and DLCA) regimes and that the coalescence is independent of the coagulant type. On the other hand, clusters formed by elastomer particles stabilized by charged polymer end groups, which are fixed on the particle surface, are fractal objects with a fractal dimension of 1.7 in the DLCA and 2.1 in the RLCA regime. This indicates insignificant cluster coalescence during aggregation, most likely due to a hindrance effect of the fixed charges.

  6. Biochemical features and kinetic properties of α-amylases from marine organisms.

    Science.gov (United States)

    Homaei, Ahmad; Ghanbarzadeh, Mehri; Monsef, Ferial

    2016-02-01

    Marine organisms have the ability of producing enzymes with unique properties compared to those of the same enzymes from terrestrial organisms. α-Amylases are among the most important extracellular enzymes found in various groups of organisms such as plants, animals and microorganisms. They play important roles in their carbohydrates metabolism of each organism. Microbial production of α-amylases is more effective than other sources of the enzyme. Many microorganisms are known to produce α-amylase including bacteria, yeasts, fungi and actinomycetes. However, enzymes from fungal and bacterial sources have dominated applications in industrial sectors. This review deals with what is known about the kinetics, biochemical properties and applications of these enzymes that have only been found in them and not in other α-amylases, and discussing their mechanistic and regulatory implications.

  7. Study on CO₂ gasification properties and kinetics of biomass chars and anthracite char.

    Science.gov (United States)

    Wang, Guangwei; Zhang, Jianliang; Hou, Xinmei; Shao, Jiugang; Geng, Weiwei

    2015-02-01

    The CO2 gasification properties and kinetics of three biomass chars (WS-char, RL-char and PS-char) and anthracite char (AC-char) were investigated by thermogravimetric analysis method. Three nth-order representative gas-solid reaction models, random pore model (RPM), volume reaction model (VM) and unreacted core model (URCM) were employed to describe the reactive behavior of chars. Results show that gasification reactivity order of different chars from high to low was WS-char, PS-char, RL-char and AC-char. In addition, the chemical components as well as physical structures of four chars were systematically tested. It was found that gasification properties of char were determined by carbonaceous structure. It was concluded from kinetics analysis that RPM model was the best model for describing the reactivities of biomass chars and VM was the model that best fitted the gasification process of anthracite char. The activation energies obtained for the biomass and anthracite char samples lie in the range of 236.4-284.9 kJ/mol. Copyright © 2014 Elsevier Ltd. All rights reserved.

  8. Effective moisture diffusivity, moisture sorption, thermo-physical properties and infrared drying kinetics of germinated paddy

    Directory of Open Access Journals (Sweden)

    Supawan Tirawanichakul

    2014-02-01

    Full Text Available Temperature and relative humidity (RH dependence of moisture sorption phenomena for agricultural products provide valuable information related to the thermodynamics of the system. So the equilibrium moisture contents (EMC, effective moisture diffusivity (Deff and thermo-physical properties in terms of void fraction, specific heat capacity, and the apparent density of germinated non-waxy Suphanburi 1 paddy were evaluated. Five commonly cited EMC equations were fitted to the experimental data among temperatures of 40-60°C correlating with RH of 0-90%. The results showed that the modified GAB equation was the best function for describing experimental results while those evaluated thermo-physical properties depended on moisture content. To determine drying kinetics model, the simulated values using Midilli et al. (2002 model and Page’s model was the best fitting to exact drying kinetics values for infrared (IR and hot air (HA drying, respectively. Finally, the Deff value of paddy dried with IR and HA sources were also evaluated and the calculated Deff value of both HA and IR drying was in order of 10-9 m2/s.

  9. Sputtering temperature dependent growth kinetics and CO2 sensing properties of ZnO deposited over porous silicon

    Science.gov (United States)

    Martínez, L.; Holguín-Momaca, J. T.; Karthik, T. V. K.; Olive-Méndez, S. F.; Campos-Alvarez, J.; Agarwal, V.

    2016-10-01

    We report the growth kinetics and sensing properties of ZnO deposited over macro-porous silicon substrates at 400 and 600 °C using magnetron-sputtering technique. Scanning electron microscopy was employed to investigate the morphology and the particle size of the ZnO nanoparticles (NPs). The grain growth kinetics was analyzed with the help of the phenomenological equation rn =k0 texp(- Q / RT) finding an activation energy Q = 13.92 kJ/mol. The grain growth exponent (n = 2.85) for the growth at 400 °C corresponds to an Ostwald ripening process, while the growth at 600 °C is described by n = 1.66 implying a higher growth rate attributed to a high surface diffusion of add-atoms contributing to the formation of larger grains. The sensing response of the complete structure has been tested at different temperatures. The highest sensitivity, S ∼10, was obtained at a sensor temperature of 300 °C on the ZnO NPs sputtered on to the porous silicon substrate at 400 °C. The high response is attributed to the infiltration, uniform and homogenous distribution of the ZnO NPs into the pores. ZnO NPs sputtered at 400 °C are found to be smaller than those grown at 600 °C, exhibiting a larger surface-area/volume ratio and hence increasing the oxygen adsorption resulting in an enhanced CO2 sensitivity.

  10. Brief report on thermodynamics of chromium slags and kinetic modelling of chromite reduction (1995-96)

    Energy Technology Data Exchange (ETDEWEB)

    Xiao Yamping; Holappa, L. [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Metallurgy

    1996-12-31

    This article summaries the research work on thermodynamics of chromium slags and kinetic modelling of chromite reduction. The thermodynamic properties of FeCr slag systems were calculated with the regular solution model. The effects of CaO/MgO ratio, Al{sub 2}0{sub 3} amount as well as the slag basicity on the activities of chromium oxides and the oxidation state of chromium were examined. The calculated results were compared to the experimental data in the literature. In the kinetic modelling of the chromite reduction, the reduction possibilities and tendencies of the chromite constitutes with CO were analysed based on the thermodynamic calculation. Two reaction models, a structural grain model and a multi-layers reaction model, were constructed and applied to simulate the chromite pellet reduction and chromite lumpy ore reduction, respectively. The calculated reduction rates were compared with the experimental measurements and the reaction mechanisms were discussed. (orig.) SULA 2 Research Programme; 4 refs.

  11. Development of a pilot-scale kinetic extruder feeder system and test program. Phase I report

    Energy Technology Data Exchange (ETDEWEB)

    None

    1982-03-01

    This report describes the work done under Phase I, the moisture tolerance testing of the Kinetic Extruder. The following coals were used in the test program: Western Bituminous (Utah), Eastern Bituminous (Pennsylvania), North Dakota Lignite, Sub-Bituminous (Montana), and Eastern Bituminous coal mixed with 20-percent Limestone. The coals were initially tested at the as-received moisture level and subsequently tested after surface moisture was added by water spray. Test results and recommendations for future research and development work are presented.

  12. The kinetic properties producing the perfunctory pH profiles of catalase-peroxidases.

    Science.gov (United States)

    Moore, Robert L; Powell, Luke J; Goodwin, Douglas C

    2008-06-01

    Many structure-function relationship studies performed on the catalase-peroxidase enzymes are based on limited kinetic data. To provide a more substantive understanding of catalase-peroxidase function, we undertook a more exhaustive evaluation of catalase-peroxidase catalysis as a function of pH. Kinetic parameters across a broad pH range for the catalase and peroxidase activities of E. coli catalase peroxidase (KatG) were obtained, including the separate analysis of the oxidizing and reducing substrates of the peroxidase catalytic cycle. This investigation identified ABTS-dependent inhibition of peroxidase activity, particularly at low pH, unveiling that previously reported pH optima are clearly skewed. We show that turnover and efficiency of peroxidase activity increases with decreasing pH until the protein unfolds. The data also suggest that the catalase pH optimum is more complex than it is often assumed to be. The apparent optimum is in fact the intersection of the optimum for binding (7.00) and the optimum for activity (5.75). We also report the apparent pK(a)s for binding and catalysis of catalase activity as well as approximate values for certain peroxidatic and catalatic steps.

  13. Use of surface plasmon resonance to investigate lateral wall deposition kinetics and properties of polydopamine films.

    Science.gov (United States)

    Li, Hui; Cui, Dafu; Cai, Haoyuan; Zhang, Lulu; Chen, Xing; Sun, Jianhai; Chao, Yapeng

    2013-03-15

    Dopamine (DA) is a particularly important neurotransmitter. Polydopamine (pDA) films have been demonstrated to be important materials for the immobilization of biomolecules onto almost any type of solid substrate. In this study, a surface plasmon resonance (SPR)-based sensor system with the sensor chip surface parallel to the direction of gravity was used to investigate the lateral wall deposition kinetics and properties of pDA films. The deposition kinetics of pDA Films are limited by the oxidation process. The pDA film could not be removed from the sensor chip completely by a strongly alkaline solution, indicating that the pDA film was heterogeneous in the direction of deposition. The pDA film formed near the interior of the solution was less stable than the film formed near the gold-solution interface. Adsorption of proteins on pDA film was studied compared with that on bare gold and dextran sensor chip. The reduction of Au(111) cations by the pDA film, forming a layer of gold particles, was monitored using SPR.

  14. Properties-preserving high order numerical methods for a kinetic eikonal equation

    Science.gov (United States)

    Luo, Songting; Payne, Nicholas

    2017-02-01

    For the BGK (Bhatnagar-Gross-Krook) equation in the large scale hyperbolic limit, the density of particles can be transformed as the Hopf-Cole transformation, where the phase function converges uniformly to the viscosity solution of an effective Hamilton-Jacobi equation, referred to as the kinetic eikonal equation. In this work, we present efficient high order finite difference methods for numerically solving the kinetic eikonal equation. The methods are based on monotone schemes such as the Godunov scheme. High order weighted essentially non-oscillatory techniques and Runge-Kutta procedures are used to obtain high order accuracy in both space and time. The effective Hamiltonian is determined implicitly by a nonlinear equation given as integrals with respect to the velocity variable. Newton's method is applied to solve the nonlinear equation, where integrals with respect to the velocity variable are evaluated either by a Gauss quadrature formula or as expansions with respect to moments of the Maxwellian. The methods are designed such that several key properties such as the positivity of the viscosity solution and the positivity of the effective Hamiltonian are preserved. Numerical experiments are presented to demonstrate the effectiveness of the methods.

  15. The thermal properties of a carbon nanotube-enriched epoxy: Thermal conductivity, curing, and degradation kinetics

    KAUST Repository

    Ventura, Isaac Aguilar

    2013-05-31

    Multiwalled carbon nanotube-enriched epoxy polymers were prepared by solvent evaporation based on a commercially available epoxy system and functionalized multiwalled carbon nanotubes (COOH-MWCNTs). Three weight ratio configurations (0.05, 0.5, and 1.0 wt %) of COOH-MWCNTs were considered and compared with neat epoxy and ethanol-treated epoxy to investigate the effects of nano enrichment and processing. Here, the thermal properties of the epoxy polymers, including curing kinetics, thermal conductivity, and degradation kinetics were studied. Introducing the MWCNTs increased the curing activation energy as revealed by differential scanning calorimetry. The final thermal conductivity of the 0.5 and 1.0 wt % MWCNT-enriched epoxy samples measured by laser flash technique increased by up to 15% compared with the neat material. The activation energy of the degradation process, investigated by thermogravimetric analysis, was found to increase with increasing CNT content, suggesting that the addition of MWCNTs improved the thermal stability of the epoxy polymers. © 2013 Wiley Periodicals, Inc.

  16. Curing Kinetics, Mechanical Properties and Thermal Stability of Epoxy/Graphene Nanoplatelets (GNPs) Powder Coatings

    Institute of Scientific and Technical Information of China (English)

    ZHI Maoyong; HUANG Wanxia

    2016-01-01

    Epoxy/graphene nanoplatelets (GNPs) powder coatings were fabricated using ultrasonic pre-dispersion of GNPs and melt-blend extrusion method. The isothermal curing kinetics of epoxy/GNPs powder coating were monitored by means of real-time Fourier transform infrared spectroscopy (FT-IR) with a heating cell. The mechanical properties of the epoxy/GNPs cured coatings had been investigated, by evaluating their fracture surfaces with ifeld-emission scanning electron microscopy (FE-SEM) after three-point-bending tests. The thermal stability of the epoxy/GNPs cured coatings was studied by thermo-gravimetric analysis (TGA). The isothermal curing kinetics result showed that the GNPs would not affect the autocatalytic reaction mechanism, but the loading of GNPs below 1.0 wt % additive played a prompting role in the curing of the epoxy/GNPs powder coatings. The fracture strain, fracture toughness and impact resistance of the epoxy/GNPs cured coatings increased dramatically at low levels of GNPs loading (1 wt %), indicating that the GNPs could improve the toughness of the epoxy/GNPs powder coatings. Furthermore, from FE-SEM studies of the fracture surfaces, the possible toughening mechanisms of the epoxy/GNPs cured coatings were proposed. TGA result showed that the incorporation of GNPs improved the thermal stability of the cured coatings. Hence, the GNPs modiifed epoxy can be an efifcient approach to toughen epoxy powder coating along with improving their thermal stability.

  17. Comparative study of kinetic and interfacial properties of a novel Rhizopus oryzae lipase and ROL29

    Directory of Open Access Journals (Sweden)

    Ben Salah Riadh

    2007-11-01

    Full Text Available We compared several kinetic and interfacial properties of a lipase from a novel strain of Rhizopus oryzae (ROLw with ROL29 lipase. In contrast to ROL29, ROLw was able to hydrolyze triolein emulsion in the absence of any additive, like bovine serum albumin (BSA. Furthermore, unlike Rhizopus oryzae lipase (ROL29, kinetic study of ROLw lipase shows linear dependency when using tributyrin emulsion as substrate. ROLw can tolerate, more efficiently than ROL29, the accumulation of long-chain free fatty acids at the interface when olive oil emulsion was used as substrate. The critical surface pressure πc of penetration into phosphatidyl choline from egg yolk films was found to be 23 mN/m with ROLw, in contrast to a value of 10 mN/m obtained with ROL29. The effect of calcium ion and synthetic detergent on the two lipases was studied. In contrast to ROL29, ROLw was activated in the presence of 100 lmoles TX-100. No significant difference on the two lipase activity was observed in presence or absence of calcium ion.

  18. The Study of Kinetic Properties and Analytical Pyrolysis of Coconut Shells

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    Mahir Said

    2015-01-01

    Full Text Available The kinetic properties of coconut shells during pyrolysis were studied to determine its reactivity in ground form. The kinetic parameters were determined by using thermogravimetric analyser. The activation energy was 122.780 kJ/mol. The pyrolysis products were analyzed using pyrolysis gas chromatography/mass spectrometry (Py-GC/MS. The effects of pyrolysis temperature on the distribution of the pyrolytic products were assessed in a temperature range between 673 K and 1073 K. The set time for pyrolysis was 2 s. Several compounds were observed; they were grouped into alkanes, acids, ethers and alcohols, esters, aldehydes and ketones, furans and pyrans, aromatic compounds, and nitrogen containing compounds. The product compositions varied with temperature in that range. The highest gas proportion was observed at high temperature while the acid proportion was observed to be highest in coconut shells, thus lowering the quality of bio-oil. It has been concluded that higher pyrolysis temperature increases the amount of pyrolysis products to a maximum value. It has been recommended to use coconut shell for production of gas, instead of production of bio-oil due to its high proportion of acetic acid.

  19. Improved antimicrobial property and controlled drug release kinetics of silver sulfadiazine loaded ordered mesoporous silica

    Directory of Open Access Journals (Sweden)

    Suman Jangra

    2016-09-01

    Full Text Available The present study deals with the loading of silver sulfadiazine into ordered mesoporous silica material by post-impregnation method and its effect on the in vitro release kinetics and antimicrobial property of the drug. The formulated SBA-15 silica material with rope-like morphology and SBA-15-silver sulfadiazine (SBA-AgSD were characterized by UV–visible spectrophotometer, small and wide-angle powder X-ray diffraction (PXRD, field emission scanning electron microscope (FESEM and high resolution transmission electron microscope (HRTEM. Thermo-gravimetric analysis of SBA-AgSD revealed a high loading amount of 52.87%. Nitrogen adsorption–desorption analysis confirmed the drug entrapment into host material by revealing a reduced surface area (214 m2/g and pore diameter (6.7 nm of the SBA-AgSD. The controlled release of silver sulfadiazine drug from the mesoporous silica to simulated gastric, intestinal and body fluids was evaluated. The Korsmeyer–Peppas model fits the drug release data with the non-Fickian diffusion model and zero order kinetics of SBA-AgSD. The antibacterial performance of the SBA-AgSD was evaluated with respect to Staphylococcus aureus, Bacillus subtilis and Pseudomonas aeruginosa. The controlled drug delivery of the SBA-AgSD revealed improved antibacterial activity, thus endorsing its applicability in effective wound dressing.

  20. Soluble malate dehydrogenase of Geophagus brasiliensis (Cichlidae, Perciformes: isolated isoforms and kinetics properties

    Directory of Open Access Journals (Sweden)

    Maria Regina de Aquino-Silva

    2008-01-01

    Full Text Available Kinetic properties and thermal stabilities of Geophagus brasiliensis skeletal muscle unfractionated malate dehydrogenase (MDH, EC 1.1.1.37 and its isolated isoforms were analyzed to examine a possible sMDH-B* locus duplication in a fixation process influenced by genetic drift. Two optimal pHs were detected: 7.5 for AB1 unfractionated muscle phenotype and its B1 isoform, and 8.0 for AB1B2 unfractionated muscle phenotype, A and B2 isoforms. While G. brasiliensis A isoform could be characterized as thermostable, the duplicated B isoform cannot be assumed as thermolabile. Km values for isolated B2 isoforms were 1.6 times lower than for B1. A duplication event in progress best explains the electrophoretic six-band pattern detected in G. brasiliensis, which would be caused by genetic drift.

  1. The Role of Temperature on Morphological Properties of Gallium Nanowires: A Kinetic Monte Carlo Study

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    Darwin B. Putungan

    2010-06-01

    Full Text Available In this work, we investigated the effects of temperature on the morphological properties, specifically homogeneous to heterogeneous island ratio R and mean island size, of Ga one-dimensional nanowires through Kinetic Monte Carlo (KMC simulations. Relevant simulation parameters and inputs were first calculated using Density Functional Theory (DFT methods. The system was treated via an atomistic-lattice gas model which includes necessary atomistic processes. KMC implementation of the model was carried out to simulate the growth and evolution of Ga nanowires. The ratio R was found to increase as the temperature was increased, whereas the mean island size decreases for the same temperature trend. These observations were explained by taking note that the increase in thermal energy effected enhanced homogeneous nucleation, outnumbering heterogeneous islands, due to the increased frequency of adatom collisions. On the other hand, enhanced homogenous nucleation impacts the mean island size by favoring creation of new islands rather than making existing islands grow in length.

  2. ROCK PROPERTIES MODEL ANALYSIS MODEL REPORT

    Energy Technology Data Exchange (ETDEWEB)

    Clinton Lum

    2002-02-04

    The purpose of this Analysis and Model Report (AMR) is to document Rock Properties Model (RPM) 3.1 with regard to input data, model methods, assumptions, uncertainties and limitations of model results, and qualification status of the model. The report also documents the differences between the current and previous versions and validation of the model. The rock properties models are intended principally for use as input to numerical physical-process modeling, such as of ground-water flow and/or radionuclide transport. The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. This work was conducted in accordance with the following planning documents: WA-0344, ''3-D Rock Properties Modeling for FY 1998'' (SNL 1997, WA-0358), ''3-D Rock Properties Modeling for FY 1999'' (SNL 1999), and the technical development plan, Rock Properties Model Version 3.1, (CRWMS M&O 1999c). The Interim Change Notice (ICNs), ICN 02 and ICN 03, of this AMR were prepared as part of activities being conducted under the Technical Work Plan, TWP-NBS-GS-000003, ''Technical Work Plan for the Integrated Site Model, Process Model Report, Revision 01'' (CRWMS M&O 2000b). The purpose of ICN 03 is to record changes in data input status due to data qualification and verification activities. These work plans describe the scope, objectives, tasks, methodology, and implementing procedures for model construction. The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. The work scope for this activity consists of the following: (1) Conversion of the input data (laboratory measured porosity data, x-ray diffraction mineralogy, petrophysical calculations of bound water, and petrophysical calculations of porosity) for each borehole into stratigraphic coordinates; (2) Re-sampling and merging of data sets; (3

  3. A computational methodology for formulating gasoline surrogate fuels with accurate physical and chemical kinetic properties

    KAUST Repository

    Ahmed, Ahfaz

    2015-03-01

    Gasoline is the most widely used fuel for light duty automobile transportation, but its molecular complexity makes it intractable to experimentally and computationally study the fundamental combustion properties. Therefore, surrogate fuels with a simpler molecular composition that represent real fuel behavior in one or more aspects are needed to enable repeatable experimental and computational combustion investigations. This study presents a novel computational methodology for formulating surrogates for FACE (fuels for advanced combustion engines) gasolines A and C by combining regression modeling with physical and chemical kinetics simulations. The computational methodology integrates simulation tools executed across different software platforms. Initially, the palette of surrogate species and carbon types for the target fuels were determined from a detailed hydrocarbon analysis (DHA). A regression algorithm implemented in MATLAB was linked to REFPROP for simulation of distillation curves and calculation of physical properties of surrogate compositions. The MATLAB code generates a surrogate composition at each iteration, which is then used to automatically generate CHEMKIN input files that are submitted to homogeneous batch reactor simulations for prediction of research octane number (RON). The regression algorithm determines the optimal surrogate composition to match the fuel properties of FACE A and C gasoline, specifically hydrogen/carbon (H/C) ratio, density, distillation characteristics, carbon types, and RON. The optimal surrogate fuel compositions obtained using the present computational approach was compared to the real fuel properties, as well as with surrogate compositions available in the literature. Experiments were conducted within a Cooperative Fuels Research (CFR) engine operating under controlled autoignition (CAI) mode to compare the formulated surrogates against the real fuels. Carbon monoxide measurements indicated that the proposed surrogates

  4. Studies on cure kinetics and rheological properties of difunctional epoxy/polysulfone blend system

    Energy Technology Data Exchange (ETDEWEB)

    Park, S.J.; Kim, H.C.; Lee, J.R. [Korean Research Institue of Chemical Technology, Taejeon (Korea)

    2001-03-01

    In this work, the cure kinetics and rheological properties of difunctional epoxy (diglycidylether of bisphenol A, DGEBA)/polysulfone (PSF) blends were investigated using differential scanning calorimeter and rheometer. From the DSC results of the blends, the temperature of the exothermic peak and cure activation energy (E{sub a}) using a half-width method were increased with increasing the PSF content to neat epoxy resin up to 30 wt%. However, a marginal decrease in the blend system was shown in E{sub a}. The conversion ({alpha}) and conversion rate (da/dt) were decreased as the content of PSF increases. Rheological properties of the blend system were investigated under isothermal condition using a rheometer. Cross-linking activation energy (E{sub c}) was determined from the Arrhenius equation based on gel time and curing temperature. As a result, the E-c showed a similar behavior with E{sub a}, which could be resulted from high viscosity of PSF and the phase separation between DGEBA and PSF. (author). 26 refs., 10 figs.

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

    Science.gov (United States)

    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.

  6. Adsorption Properties of Doxorubicin Hydrochloride onto Graphene Oxide: Equilibrium, Kinetic and Thermodynamic Studies

    Directory of Open Access Journals (Sweden)

    Zonghua Wang

    2013-05-01

    Full Text Available Doxorubicin hydrochloride (DOX is an effective anticancer agent for leukemia chemotherapy, although its clinical use has been limited because of its side effects such as cardiotoxicity, alopecia, vomiting, and leucopenia. Attention has been focussed on developing new drug carriers with high adsorption capacity and rapid adsorption rate in order to minimize the side effects of DOX. Graphene oxide (GO, a new type of nanomaterial in the carbon family, was prepared by Hummers method and used as adsorbent for DOX from aqueous solution. The physico-chemical properties of GO were characterized by transmission electron microscope (TEM, Fourier transform infrared spectroscopy (FTIR, zeta potential, and element analysis. The adsorption properties of DOX on GO were studied as a function of contact time, adsorbent dosage, temperature and pH value. The results showed that GO had a maximum adsorption capacity of 1428.57 mg/g and the adsorption isotherm data fitted the Langmuir model. The kinetics of adsorption fits a pseudo-second-order model. The thermodynamic studies indicate that the adsorption of DOX on GO is spontaneous and endothermic in nature.

  7. Antibacterial, kinetics and bacteriolytic properties of silver(I) pyridinedicarboxylate compounds

    Energy Technology Data Exchange (ETDEWEB)

    Azócar, M. Ignacio, E-mail: manuel.azocar@usach.cl [Facultad de Química y Biología, Universidad de Santiago de Chile, Av. Bernardo O' Higgins 3363, Santiago (Chile); Gómez, Grace; Velásquez, Carla; Abarca, Romina [Facultad de Química y Biología, Universidad de Santiago de Chile, Av. Bernardo O' Higgins 3363, Santiago (Chile); Kogan, Marcelo J. [Departamento de Quimica Farmacologica y Toxicologica, Facultad de Ciencias Quimicas y Farmaceuticas, Universidad de Chile. Advanced Center for Chronic Diseases (ACCDiS) (Chile); Páez, Maritza [Facultad de Química y Biología, Universidad de Santiago de Chile, Av. Bernardo O' Higgins 3363, Santiago (Chile)

    2014-04-01

    Antibacterial properties of silver(I)-pyridinedicarboxylate compounds (with Pyridine-2,3-dicarboxylic(Lutidinic acid), pyridine-2,4-dicarboxylic (Quinolinic acid) and pyridine-2,5-dicarboxylic (Isocinchomeronic acid)) were studied against Escherichia coli, Listeria monocytogenes (ISP-65-08), Salmonella typhi and Staphylococcus aureus (ATCC 25923) using kinetics of grown inhibition, viability assays, minimum inhibitory concentration and optical microscopy. The 3 silver compounds were tested toward UV-radiation in order to characterize their light insensitivity for potential medical devices: UV-radiation curable polymers. Photophysical measurements show remarkable differences toward UV-radiation, which were explained based on their polymeric structures with multiple nature bonds between pyridinedicarboxylic ligands and Ag(I) centers. We found a bacteriolytic effect and differences in the antibacterial efficiency depending on the structure of the complexes and the nature of Ag-X (X = oxygen and nitrogen) bonds: AgQuinol > AgLutidin > AgIsocinchom. - Highlights: • Antibacterial efficiency of silver(I) complexes • Improving antimicrobial properties of silver(I) complexes • Insensitivity to air and UV light for medical devices • Broad-spectrum antibiotic ointment • Bacteriolytic mechanism of silver compounds.

  8. Curing kinetics and thermomechanical properties of latent epoxy/carbon fiber composites

    Science.gov (United States)

    Dalle Vacche, S.; Michaud, V.; Demierre, M.; Bourban, P.-E.; Månson, J.-A. E.

    2016-07-01

    In this work, resins based on diglycidyl ether of bisphenol A (DGEBA) epoxy and a latent hardener, dicyandiamide (DICY), as well as carbon fiber (CF) composites based on them, were prepared with three commercial accelerators: a methylene bis (phenyl dimethyl urea), a cycloaliphatic substituted urea, and a modified polyamine. The curing kinetics of the three DGEBA/DICY/accelerator systems were investigated by chemorheology and differential scanning calorimetry (DSC), in isothermal and over temperature change conditions. Differences in the reaction onset temperature, and in the glass transition temperature (Tg) were highlighted. For curing of thick resin samples, a slow curing cycle at the lowest possible temperature was used, followed by high temperature (160 - 180 °C) post-curing. Indeed, fast curing at higher temperatures caused the formation of hot spots and led to local burning of the samples. The obtained thermomechanical properties, assessed by ultimate tensile testing and dynamic mechanical analysis (DMA) in single cantilever configuration, were all in the expected range for epoxy resins, with tensile moduli close to 3 GPa and Tg > 140 °C. The longterm stability of these resins at room temperature was verified by DSC. Composite samples were prepared by hand lay-up by manually impregnating four layers of 5-harness satin CF textile, and curing in vacuum bag. Impregnation quality and void content were assessed by optical microscopy. The flexural properties of the post-cured composites were assessed by three-point bending test at room temperature and showed no relevant differences, all composites having bending moduli of 45 - 50 GPa. Finally, composites cured with a faster high temperature curing cycle (20 min at 140 °C) were prepared with the DGEBA/DICY/ methylene bis (phenyl dimethyl urea) system, obtaining similar properties as with the slower curing cycle, showing that the prepreg system allowed more flexibility in terms of curing cycle than the bulk resin

  9. Poly-para-xylylene thin films: A study of the deposition chemistry, kinetics, film properties, and film stability

    Science.gov (United States)

    Fortin, Jeffrey Bernard

    Poly-para-xylylene, or parylene, thin films are chemically vapor deposited (CVD), conformal, pin-hole free polymeric thin films. They have found many industrial uses since there invention in 1947 and continue to find new applications in micro-electronics, biotechnology, and micro-electro-mechanical systems. In this study the deposition chemistry, deposition kinetics, film properties, and film stability were investigated. A differentially pumped quadrupole mass spectrometer was used to analyze the vapor species present during the CVD process. The identity of dimer contamination and its impact on the CVD process and film properties was studied. The quantitative conversion of dimer to monomer was investigated and it was found that conversion begins at around 385°C and by 565°C 100% conversion is obtained. The kinetics of the CVD process was analyzed for a range of substrate temperatures and chamber pressures. A new kinetic model based on a two-step adsorption was developed and fit the kinetic data well. This model should be appropriate for use with all parylene family polymers. Many of the properties of the films deposited in this study were analyzed. This includes a detailed study of surface morphology using atomic force microscopy which shows the interface width increases as a power law of film thickness. Other properties analyzed were the thermal stability, electrical properties, index of refraction, birefringence, hardness, and elastic modulus. The effect of ultraviolet (UV) radiation of lambda ≥ 250 nm on the thermal stability, electrical, and optical properties of thin parylene films was studied. The thermal stability and electrical properties of UV treated films were seen to deteriorate as the radiation dose increased. The stability of parylene thin films receiving plasma etching was analyzed. The dielectric constant, dissipation factor, and leakage current of plasma etched thin parylene films were investigated and found to be stable for the range of

  10. Enzymatic Kinetic Properties of the Lactate Dehydrogenase Isoenzyme C4 of the Plateau Pika (Ochotona curzoniae

    Directory of Open Access Journals (Sweden)

    Yang Wang

    2016-01-01

    Full Text Available Testis-specific lactate dehydrogenase (LDH-C4 is one of the lactate dehydrogenase (LDH isozymes that catalyze the terminal reaction of pyruvate to lactate in the glycolytic pathway. LDH-C4 in mammals was previously thought to be expressed only in spermatozoa and testis and not in other tissues. Plateau pika (Ochotona curzoniae belongs to the genus Ochotona of the Ochotonidea family. It is a hypoxia-tolerant species living in remote mountain areas at altitudes of 3000–5000 m above sea level on the Qinghai-Tibet Plateau. Surprisingly, Ldh-c is expressed not only in its testis and sperm, but also in somatic tissues of plateau pika. To shed light on the function of LDH-C4 in somatic cells, Ldh-a, Ldh-b, and Ldh-c of plateau pika were subcloned into bacterial expression vectors. The pure enzymes of Lactate Dehydrogenase A4 (LDH-A4, Lactate Dehydrogenase B4 (LDH-B4, and LDH-C4 were prepared by a series of expression and purification processes, and the three enzymes were identified by the method of sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE and native polyacrylamide gel electrophoresis (PAGE. The enzymatic kinetics properties of these enzymes were studied by Lineweaver-Burk double-reciprocal plots. The results showed the Michaelis constant (Km of LDH-C4 for pyruvate and lactate was 0.052 and 4.934 mmol/L, respectively, with an approximate 90 times higher affinity of LDH-C4 for pyruvate than for lactate. At relatively high concentrations of lactate, the inhibition constant (Ki of the LDH isoenzymes varied: LDH-A4 (Ki = 26.900 mmol/L, LDH-B4 (Ki = 23.800 mmol/L, and LDH-C4 (Ki = 65.500 mmol/L. These data suggest that inhibition of lactate by LDH-A4 and LDH-B4 were stronger than LDH-C4. In light of the enzymatic kinetics properties, we suggest that the plateau pika can reduce reliance on oxygen supply and enhance its adaptation to the hypoxic environments due to increased anaerobic glycolysis by LDH-C4.

  11. Enzymatic Kinetic Properties of the Lactate Dehydrogenase Isoenzyme C4 of the Plateau Pika (Ochotona curzoniae)

    Science.gov (United States)

    Wang, Yang; Wei, Lian; Wei, Dengbang; Li, Xiao; Xu, Lina; Wei, Linna

    2016-01-01

    Testis-specific lactate dehydrogenase (LDH-C4) is one of the lactate dehydrogenase (LDH) isozymes that catalyze the terminal reaction of pyruvate to lactate in the glycolytic pathway. LDH-C4 in mammals was previously thought to be expressed only in spermatozoa and testis and not in other tissues. Plateau pika (Ochotona curzoniae) belongs to the genus Ochotona of the Ochotonidea family. It is a hypoxia-tolerant species living in remote mountain areas at altitudes of 3000–5000 m above sea level on the Qinghai-Tibet Plateau. Surprisingly, Ldh-c is expressed not only in its testis and sperm, but also in somatic tissues of plateau pika. To shed light on the function of LDH-C4 in somatic cells, Ldh-a, Ldh-b, and Ldh-c of plateau pika were subcloned into bacterial expression vectors. The pure enzymes of Lactate Dehydrogenase A4 (LDH-A4), Lactate Dehydrogenase B4 (LDH-B4), and LDH-C4 were prepared by a series of expression and purification processes, and the three enzymes were identified by the method of sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE) and native polyacrylamide gel electrophoresis (PAGE). The enzymatic kinetics properties of these enzymes were studied by Lineweaver-Burk double-reciprocal plots. The results showed the Michaelis constant (Km) of LDH-C4 for pyruvate and lactate was 0.052 and 4.934 mmol/L, respectively, with an approximate 90 times higher affinity of LDH-C4 for pyruvate than for lactate. At relatively high concentrations of lactate, the inhibition constant (Ki) of the LDH isoenzymes varied: LDH-A4 (Ki = 26.900 mmol/L), LDH-B4 (Ki = 23.800 mmol/L), and LDH-C4 (Ki = 65.500 mmol/L). These data suggest that inhibition of lactate by LDH-A4 and LDH-B4 were stronger than LDH-C4. In light of the enzymatic kinetics properties, we suggest that the plateau pika can reduce reliance on oxygen supply and enhance its adaptation to the hypoxic environments due to increased anaerobic glycolysis by LDH-C4. PMID:26751442

  12. Kinetics and thermodynamic properties related to the drying of 'Cabacinha' pepper fruits

    Directory of Open Access Journals (Sweden)

    Hellismar W. da Silva

    2016-02-01

    Full Text Available ABSTRACT The objective of this study was to determine and model the drying kinetics of 'Cabacinha' pepper fruits at different temperatures of the drying air, as well as obtain the thermodynamic properties involved in the drying process of the product. Drying was carried out under controlled conductions of temperature (60, 70, 80, 90 and 100 °C using three samples of 130 g of fruit, which were weighed periodically until constant mass. The experimental data were adjusted to different mathematical models often used in the representation of fruit drying. Effective diffusion coefficients, calculated from the mathematical model of liquid diffusion, were used to obtain activation energy, enthalpy, entropy and Gibbs free energy. The Midilli model showed the best fit to the experimental data of drying of 'Cabacinha' pepper fruits. The increase in drying temperature promoted an increase in water removal rate, effective diffusion coefficient and Gibbs free energy, besides a reduction in fruit drying time and in the values of entropy and enthalpy. The activation energy for the drying of pepper fruits was 36.09 kJ mol-1.

  13. Amaranth proteins foaming properties: adsorption kinetics and foam formation--part 1.

    Science.gov (United States)

    Bolontrade, Agustín J; Scilingo, Adriana A; Añón, María C

    2013-05-01

    This work has focused on the study of the relationships between the structural changes in proteins of amaranth under different conditions of pH and ionic strength and the ability to form foam, also taking into consideration the kinetics of adsorption of proteins at the interface. Results showed that treatment at pH 2.0 significantly improves the foaming properties of amaranth proteins. The structural studies performed indicate that amaranth proteins at acidic pH are denatured, dissociated and undergo partial hydrolysis due to the existence of an endoprotease. They also present a lower content of β-sheet and random coil secondary structures. Diffusion-adsorption studies of proteins at the air:water interface allowed to determine that the acidic pH favors adsorption thereof (higher values of kdiff and ka) and reduces the need for a rearrangement (higher values of γr). The interfacial behavior of amaranth proteins is a direct consequence of the structural changes they undergo at acidic pH, changes that also were reflected on the increased foaming capacity (higher vo) thus forming more dense and homogeneous foams. The behavior of the soluble proteins as surfactants was not altered by the presence of protein aggregates and insoluble proteins.

  14. Effects of natural organic matter properties on the dissolution kinetics of zinc oxide nanoparticles

    Science.gov (United States)

    Jiang, Chuanjia; Aiken, George R.; Hsu-Kim, Heileen

    2015-01-01

    The dissolution of zinc oxide (ZnO) nanoparticles (NPs) is a key step of controlling their environmental fate, bioavailability, and toxicity. Rates of dissolution often depend upon factors such as interactions of NPs with natural organic matter (NOM). We examined the effects of 16 different NOM isolates on the dissolution kinetics of ZnO NPs in buffered potassium chloride solution using anodic stripping voltammetry to directly measure dissolved zinc concentrations. The observed dissolution rate constants (kobs) and dissolved zinc concentrations at equilibrium increased linearly with NOM concentration (from 0 to 40 mg C L–1) for Suwannee River humic and fulvic acids and Pony Lake fulvic acid. When dissolution rates were compared for the 16 NOM isolates, kobs was positively correlated with certain properties of NOM, including specific ultraviolet absorbance (SUVA), aromatic and carbonyl carbon contents, and molecular weight. Dissolution rate constants were negatively correlated to hydrogen/carbon ratio and aliphatic carbon content. The observed correlations indicate that aromatic carbon content is a key factor in determining the rate of NOM-promoted dissolution of ZnO NPs. The findings of this study facilitate a better understanding of the fate of ZnO NPs in organic-rich aquatic environments and highlight SUVA as a facile and useful indicator of NOM interactions with metal-based nanoparticles.

  15. The fermentation kinetics and physicochemical properties of special beer with addition of Prokupac grape variety

    Directory of Open Access Journals (Sweden)

    Veljović Mile

    2015-01-01

    Full Text Available Over the last decade, the market of special beers with improved healthy function and/or with new refreshing taste has significantly increased. One of the possible solutions enables grape and mixing beer with bioactive component responsible for well known health promoting action of red wine. The influence of the addition of Prokupac grape on the physicochemical properties and the fermentation kinetics of the grape beer were studied and results were compared with control lager beer. The effect of grape addition on the activity of yeast was also studied. Original extract, alcohol content, degree of fermentation, fermentation rate and yeast growth were significantly higher in beers with grapes as a consequence of higher concentration of simple sugars in grapes compared with pure wort. Based on the CIELab chromatic parameters the color of grape beer samples was yellow with certain proportion of redness, while the control beer was purely yellow. The increase in the concentration of grape mash affects the reduction of lightness and yellowness of beers, while the redness of samples was directly proportional with grape quantity. The phenolic content and antioxidant capacity of grape beers was remarkably higher compared with control beer, which indicates that the grape beer is a better source of natural antioxidants than regular lager beer. [Projekat Ministarstva nauke Republike Srbije, br. 46001

  16. Fuel properties and combustion kinetics of hydrochar prepared by hydrothermal carbonization of bamboo.

    Science.gov (United States)

    Yang, Wei; Wang, Hui; Zhang, Meng; Zhu, Jiayu; Zhou, Jie; Wu, Shengji

    2016-04-01

    Hydrothermal carbonization, an environmental friendly treatment method was employed to pretreat bamboo for hydrochar preparation in the present study. Hydrothermal carbonization could elevate the fuel properties and combustion behavior of bamboo. The combustion kinetic parameters of raw bamboo and hydrochars were calculated by a simple Arrhenius equation based on the thermogravimetric curves. Two distinct zones were observed for raw bamboo and hydrochars. The activation energies of raw bamboo in zone 1 and zone 2 were 109.5kJ/mol and 46.6kJ/mol, respectively, in the heating rate of 20°C/min. The activation energy of hydrochar in zone 1 increased at the hydrothermal carbonization temperature under 220°C and then decreased at higher hydrothermal carbonization temperature, due to the decomposition of relative reactive compounds in bamboo, and destruction of cellulose and hemicellulose structures, respectively. The activation energies of hydrochars in zone 2 were among 52.3-57.5kJ/mol, lower than that of lignin extracted from bamboo.

  17. Biochemical Properties and Inhibition Kinetics of Phosphatase from Wheat Thylakoid Membranes

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A phosphatase that hydrolyses phosphate monoesters has been isolated from wheat thylakoid membranes.Biochemical properties and inhibition kinetics of the phosphatase were investigated using several ions, organic solvents, and inhibitors. Wheat (Triticum aestivum L. cv. PH82-2-2) thylakoid membrane phosphatase activity was activated by Mg2+, Ca2+, and Fe2+ and was inhibited by Mn2+ and Cu2+. For example, enzyme activity was activated 34.81% by 2 mmol/L Mg2+, but was inhibited 22.3% and 8.5% by 2 and 1 mmol/L Cu2+, respectively.Methanol, ethanol and glycol were all able to activate enzyme activity. Enzyme activity was activated 58.5%, 48.2%,and 8.7% by 40% ethanol, methanol and glycol, respectively. From these results, it can be seen that the degree of activation of the phosphatase was greatest for ethanol and the type of activation was uncompetitive. Moreover,the activity of the thylakoid membrane phosphatase was inhibited by molybdate, vanadate, phosphate, and fluoride and the type of inhibition produced by these elements was uncompetitive, non-competitive, competitive and mixed, respectively.

  18. Kinetic properties of alternatively spliced isoforms of laccase-2 from Tribolium castaneum and Anopheles gambiae.

    Science.gov (United States)

    Gorman, Maureen J; Sullivan, Lucinda I; Nguyen, Thi D T; Dai, Huaien; Arakane, Yasuyuki; Dittmer, Neal T; Syed, Lateef U; Li, Jun; Hua, Duy H; Kanost, Michael R

    2012-03-01

    Laccase-2 is a highly conserved multicopper oxidase that functions in insect cuticle pigmentation and tanning. In many species, alternative splicing gives rise to two laccase-2 isoforms. A comparison of laccase-2 sequences from three orders of insects revealed eleven positions at which there are conserved differences between the A and B isoforms. Homology modeling suggested that these eleven residues are not part of the substrate binding pocket. To determine whether the isoforms have different kinetic properties, we compared the activity of laccase-2 isoforms from Tribolium castaneum and Anopheles gambiae. We partially purified the four laccases as recombinant enzymes and analyzed their ability to oxidize a range of laccase substrates. The predicted endogenous substrates tested were dopamine, N-acetyldopamine (NADA), N-β-alanyldopamine (NBAD) and dopa, which were detected in T. castaneum previously and in A. gambiae as part of this study. Two additional diphenols (catechol and hydroquinone) and one non-phenolic substrate (2,2'-azino-bis(3-ethylbenzthiazoline-6-sulphonic acid)) were also tested. We observed no major differences in substrate specificity between the A and B isoforms. Dopamine, NADA and NBAD were oxidized with catalytic efficiencies ranging from 51 to 550 min⁻¹ mM⁻¹. These results support the hypothesis that dopamine, NADA and NBAD are endogenous substrates for both isoforms of laccase-2. Catalytic efficiencies associated with dopa oxidation were low, ranging from 8 to 30 min⁻¹ mM⁻¹; in comparison, insect tyrosinase oxidized dopa with a catalytic efficiency of 201 min⁻¹ mM⁻¹. We found that dopa had the highest redox potential of the four endogenous substrates, and this property of dopa may explain its poor oxidation by laccase-2. We conclude that laccase-2 splice isoforms are likely to oxidize the same substrates in vivo, and additional experiments will be required to discover any isoform-specific functions.

  19. Methanol Kinetics in Chronic Kidney Disease After Fomepizole: A Case Report.

    Science.gov (United States)

    Maskell, Kevin F; Beckett, Sara; Cumpston, Kirk L

    Methanol is a common toxicant in the United States, especially from automotive products. Its kinetics have been described previously and typically involve little urinary excretion. We present a case of prolonged methanol half-life in a patient with chronic kidney disease. An 80-year-old male with a baseline glomerular filtration rate of 24 mL·min·1.73 m was transferred to our facility after unintentional methanol ingestion. The original facility had treated him with an oral ethanol load; upon arrival to our facility, he was immediately loaded with fomepizole. His initial serum methanol concentration was 66.1 mg/dL. After a risk/benefit discussion, we decided not to perform hemodialysis on the patient and he was treated with fomepizole and supportive care. After 6 days as an inpatient, the patient's methanol level had declined to 22 mg/dL, fomepizole was discontinued, and the patient was able to be discharged without apparent complications. Based on the exponential best fit line for the patient's methanol concentrations, his methanol half-life during fomepizole treatment was approximately 70 hours, significantly longer than the 30-50 hours typically reported. The reasons for this difference are unclear. This report is limited by being a single case. Further study on the kinetics of methanol in the setting of chronic kidney disease is needed.

  20. Kinetics and structural evolution of sorbents at high temperatures. Final report, September 1, 1992--August 31, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Liang-Shih; Dastidar, A.G.; Mahuli, S.; Agnihotri, R.

    1993-09-01

    The focus of this project is on furnace sorbent injection technology using dry, calcium-based sorbents for flue gas desulfurization. The goal is to provide fundamental research kinetics and the effects of sorbent properties, aimed at improving SO{sub 2} removal and increasing sorbent utilization in a cost-effective fashion. The main focus of the third year work has been to obtain fundamental kinetic data for calcination, sintering and sulfation of calcium hydroxide sorbent. The results, their interpretation, and discussions are the primary focus of this report. Other major portions of this year`s work covered in the report include the additions and modifications made to the experimental system, and preliminary results of the studies with modified Ca(OH){sub 2}. Most of the reactor system and the analytical and measurement techniques were developed in the second year and formed the necessary framework for realizing the project goal. A few design and experimental constraints necessitated modifications and additions which were made in the beginning of this year. A continuous micro-feeder was built in order to feed very small quantities of sorbent, which is essential to maintain differential conditions with respect to SO{sub 2} during sulfation experiments. The particle collection probe was modified with an insulating ceramic cover and cap, in order to reduce its cooling effect and achieve better isothermality within the reactor. A cascade cyclone sampler was added to replace the impactor because the particle loading capacity of the impactor was not sufficient to hold enough powder required for post-reaction analyses.

  1. Kinetic and thermodynamic properties of alginate lyase and cellulase co-produced by Exiguobacterium species Alg-S5.

    Science.gov (United States)

    Mohapatra, Bidyut R

    2017-05-01

    In an effort to screen out the alginolytic and cellulolytic bacteria from the putrefying invasive seaweed Sargassum species accumulated off Barbados' coast, a potent bacterial strain was isolated. This bacterium, which simultaneously produced alginate lyase and cellulase, was identified as Exiguobacterium sp. Alg-S5 via the phylogenetic approach targeting the 16S rRNA gene. The co-produced alginate lyase and cellulase exhibited maximal enzymatic activity at pH 7.5 and at 40°C and 45°C, respectively. The Km and Vmax values recorded as 0.91mg/mL and 21.8U/mg-protein, respectively, for alginate lyase, and 10.9mg/mL and 74.6U/mg-protein, respectively, for cellulase. First order kinetic analysis of the thermal denaturation of the co-produced alginate lyase and cellulase in the temperature range from 40°C to 55°C revealed that both the enzymes were thermodynamically efficient by displaying higher activation energy and enthalpy of denaturation. These enzymatic properties indicate the potential industrial importance of this bacterium in algal biomass conversion. This appears to be the first report on assessing the efficacy of a bacterium for the co-production of alginate lyase and cellulase.

  2. Enhanced metallic properties of SrRuO3 thin films via kinetically controlled pulsed laser epitaxy

    Science.gov (United States)

    Thompson, J.; Nichols, J.; Lee, S.; Ryee, S.; Gruenewald, J. H.; Connell, J. G.; Souri, M.; Johnson, J. M.; Hwang, J.; Han, M. J.; Lee, H. N.; Kim, D.-W.; Seo, S. S. A.

    2016-10-01

    Metal electrodes are a universal element of all electronic devices. Conducting SrRuO3 (SRO) epitaxial thin films have been extensively used as electrodes in complex-oxide heterostructures due to good lattice mismatches with perovskite substrates. However, when compared to SRO single crystals, SRO thin films have shown reduced conductivity and Curie temperatures (TC), which can lead to higher Joule heating and energy loss in the devices. Here, we report that high-quality SRO thin films can be synthesized by controlling the plume dynamics and growth rate of pulsed laser epitaxy (PLE) with real-time optical spectroscopic monitoring. The SRO thin films grown under the kinetically controlled conditions, down to ca. 16 nm in thickness, exhibit both enhanced conductivity and TC as compared to bulk values, due to their improved stoichiometry and a strain-mediated increase of the bandwidth of Ru 4d electrons. This result provides a direction for enhancing the physical properties of PLE-grown thin films and paves a way to improved device applications.

  3. Energetics and kinetics of anaerobic aromatic and fatty acid degradation. Progress report, November 1993--November 1994

    Energy Technology Data Exchange (ETDEWEB)

    McInerney, M.J.

    1994-12-06

    Factors influencing the rate and extent of benzoate degradation by the anaerobic syntrophic consortia were studied. Nonlinear regression analysis showed that the cause of the benzoate threshold was not a diminished benzoate degradation capacity. Analysis of cocultures with hydrogen users that differed in their hydrogen utilization capacities showed that the threshold did not depend on the kinetic properties of the syntrophic partner. These data support a thermodynamic explanation for the threshold, and exclude the possibility that a change in the affinity of the enzyme system due to acetate inhibition caused the threshold. Modeling studies showed that the threshold value could be predicted from the concentrations of the end products, assuming a critical Gibb`s free energy value. This work shows that interspecies acetate transfer is important in controlling the extent of metabolism by syntrophic organisms.

  4. Mn2+ modulates the kinetic properties of an archaeal member of the PLL family.

    Science.gov (United States)

    Porzio, Elena; Di Gennaro, Spartaco; Palma, Achille; Manco, Giuseppe

    2013-03-25

    Recently we reported on the characterization of an archaeal member of the amidohydrolase superfamily, namely Sulfolobus acidocaldarius lactonase, showing low but significant and extremely thermostable paraoxonase activity. This enzyme, that we have named SacPox, is a member of the new described family of phosphotriesterase-like lactonases (PLLs). In this family the binuclear metal centre, which is involved in the catalytic machinery, has been poorly studied up to now. In this work we describe the expression of the protein in presence of different metals showing Mn(2+) to support the higher activity. The enzyme has been over-expressed, purified and characterized as a Mn(2+)-containing enzyme by inductive plasma coupled mass spectrometry (ICP-MS), showing also surprising kinetic differences in comparison with the cadmium-containing enzyme. The Mn(2+) containing enzyme was about 30-fold more efficient with paraoxon as substrate and more stable than the Cd(2+) counterpart, even though the Mn(2+) affinity for the binuclear metal centre is apparently lower. These results increase our knowledge of the biochemical characteristics of SacPox mainly with regard to the metal-ions modulation of function. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

  5. Diversification of the kinetic properties of yeast NADP-glutamate-dehydrogenase isozymes proceeds independently of their evolutionary origin.

    Science.gov (United States)

    Campero-Basaldua, Carlos; Quezada, Héctor; Riego-Ruíz, Lina; Márquez, Dariel; Rojas, Erendira; González, James; El-Hafidi, Mohammed; González, Alicia

    2016-11-19

    In the yeast Saccharomyces cerevisiae, the ScGDH1 and ScGDH3 encoded glutamate dehydrogenases (NADP-GDHs) catalyze the synthesis of glutamate from ammonium and α-ketoglutarate (α-KG). Previous kinetic characterization showed that these enzymes displayed different allosteric properties and respectively high or low rate of α-KG utilization. Accordingly, the coordinated action of ScGdh1 and ScGdh3, regulated balanced α-KG utilization for glutamate biosynthesis under either fermentative or respiratory conditions, safeguarding energy provision. Here, we have addressed the question of whether there is a correlation between the regulation and kinetic properties of the NADP-GDH isozymes present in S. cerevisiae (ScGdh1 and ScGdh3), Kluyveromyces lactis (KlGdh1), and Lachancea kluyveri (LkGdh1) and their evolutionary history. Our results show that the kinetic properties of K. lactis and L. kluyveri single NADP-GDHs are respectively similar to either ScGDH3 or ScGDH1, which arose from the whole genome duplication event of the S. cerevisiae lineage, although, KlGDH1 and LkGDH1 originated from a GDH clade, through an ancient interspecies hybridization event that preceded the divergence between the Saccharomyces clade and the one containing the genera Kluyveromyces, Lachancea, and Eremothecium. Thus, the kinetic properties which determine the NADP-GDHs capacity to utilize α-KG and synthesize glutamate do not correlate with their evolutionary origin.

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

    Science.gov (United States)

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

    2017-03-01

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

  7. Kinetic properties and metabolic contributions of yeast mitochondrial and cytosolic NADP+-specific isocitrate dehydrogenases.

    Science.gov (United States)

    Contreras-Shannon, Veronica; Lin, An-Ping; McCammon, Mark T; McAlister-Henn, Lee

    2005-02-11

    To compare kinetic properties of homologous isozymes of NADP+-specific isocitrate dehydrogenase, histidine-tagged forms of yeast mitochondrial (IDP1) and cytosolic (IDP2) enzymes were expressed and purified. The isozymes were found to share similar apparent affinities for cofactors. However, with respect to isocitrate, IDP1 had an apparent Km value approximately 7-fold lower than that of IDP2, whereas, with respect to alpha-ketoglutarate, IDP2 had an apparent Km value approximately 10-fold lower than that of IDP1. Similar Km values for substrates and cofactors in decarboxylation and carboxylation reactions were obtained for IDP2, suggesting a capacity for bidirectional catalysis in vivo. Concentrations of isocitrate and alpha-ketoglutarate measured in extracts from the parental strain were found to be similar with growth on different carbon sources. For mutant strains lacking IDP1, IDP2, and/or the mitochondrial NAD+-specific isocitrate dehydrogenase (IDH), metabolite measurements indicated that major cellular flux is through the IDH-catalyzed reaction in glucose-grown cells and through the IDP2-catalyzed reaction in cells grown with a nonfermentable carbon source (glycerol and lactate). A substantial cellular pool of alpha-ketoglutarate is attributed to IDH function during glucose growth, and to both IDP1 and IDH function during growth on glycerol/lactate. Complementation experiments using a strain lacking IDH demonstrated that overexpression of IDP1 partially compensated for the glutamate auxotrophy associated with loss of IDH. Collectively, these results suggest an ancillary role for IDP1 in cellular glutamate synthesis and a role for IDP2 in equilibrating and maintaining cellular levels of isocitrate and alpha-ketoglutarate.

  8. Crystallization kinetics and optical properties of titanium-lithium tetraborate glass containing europium oxide

    Science.gov (United States)

    Mohamed, E. A.; Ratep, A.; Abdel-Khalek, E. K.; Kashif, I.

    2017-07-01

    The crystallization kinetics and optical properties of [60 Li2B4O7-30 TiO2-10 Eu2O3] (mol%) glass sample have been investigated. The present glass sample exhibits three crystallization exothermic peaks ( T p1, T p2, and T p3) corresponding to the formation of LiBO2, Li2B4O7, and EuTiO3 phases, respectively. The presence of phase separation in the glass sample has been confirmed by scanning electron microscopic (SEM). The mean values of Avrami exponent ( n = 3.1 and 4) around T p1 and T p2, indicate that the bulk crystallization with a constant number of nuclei and with an increasing number of nuclei, respectively. The values of the local activation energy as a function of the fraction of crystallization (0.1 ≤ χ ≤ 0.9) decrease for the crystallization of LiBO2 and EuTiO3 and increase for the crystallization of Li2B4O7. The values of n( χ) for T p3 and T p2 in the range (0.1 ≤ χ ≤ 0.9) and (0.1 ≤ χ ≤ 0.4), respectively, are larger than 4 indicate that the presence of anomalous in Avrami exponent. The trend of Judd-Ofelt intensity parameters (Ω2 > Ω4 > Ω6) and the bonding parameter ( δ) indicate that the lower symmetry and the highest covalent nature of the bonding around Eu3+ ions.

  9. Structural and Kinetic Properties of Lumazine Synthase Isoenzymes in the Order Rhizobiales

    Energy Technology Data Exchange (ETDEWEB)

    Klinke,S.; Zylberman, V.; Bonomi, H.; Haase, I.; Guimaraes, B.; Braden, B.; Bacher, A.; Fischer, M.; Goldbaum, F.

    2007-01-01

    6, 7-Dimethyl-8-ribityllumazine synthase (lumazine synthase; LS) catalyzes the penultimate step in the biosynthesis of riboflavin in plants and microorganisms. This protein is known to exhibit different quaternary assemblies between species, existing as free pentamers, decamers (dimers of pentamers) and icosahedrally arranged dodecamers of pentamers. A phylogenetic analysis on eubacterial, fungal and plant LSs allowed us to classify them into two categories: Type I LSs (pentameric or icosahedral) and Type II LSs (decameric). The Rhizobiales represent an order of ?-proteobacteria that includes, among others, the genera Mesorhizobium, Agrobacterium and Brucella. Here, we present structural and kinetic studies on several LSs from Rhizobiales. Interestingly, Mesorhizobium and Brucella encode both a Type-I LS and a Type-II LS called RibH1 and RibH2, respectively. We show that Type II LSs appear to be almost inactive, whereas Type I LSs present a highly variable catalytic activity according to the genus. Additionally, we have solved four RibH1/RibH2 crystallographic structures from the genera Mesorhizobium and Brucella. The relationship between the active-site architecture and catalytic properties in these isoenzymes is discussed, and a model that describes the enzymatic behavior is proposed. Furthermore, sequence alignment studies allowed us to extend our results to the genus Agrobacterium. Our results suggest that the selective pressure controlling the riboflavin pathway favored the evolution of catalysts with low reaction rates, since the excess of flavins in the intracellular pool in Rhizobiales could act as a negative factor when these bacteria are exposed to oxidative or nitrosative stress.

  10. KCTD Hetero-oligomers Confer Unique Kinetic Properties on Hippocampal GABAB Receptor-Induced K+ Currents.

    Science.gov (United States)

    Fritzius, Thorsten; Turecek, Rostislav; Seddik, Riad; Kobayashi, Hiroyuki; Tiao, Jim; Rem, Pascal D; Metz, Michaela; Kralikova, Michaela; Bouvier, Michel; Gassmann, Martin; Bettler, Bernhard

    2017-02-01

    GABAB receptors are the G-protein coupled receptors for the main inhibitory neurotransmitter in the brain, GABA. GABAB receptors were shown to associate with homo-oligomers of auxiliary KCTD8, KCTD12, KCTD12b, and KCTD16 subunits (named after their T1 K(+)-channel tetramerization domain) that regulate G-protein signaling of the receptor. Here we provide evidence that GABAB receptors also associate with hetero-oligomers of KCTD subunits. Coimmunoprecipitation experiments indicate that two-thirds of the KCTD16 proteins in the hippocampus of adult mice associate with KCTD12. We show that the KCTD proteins hetero-oligomerize through self-interacting T1 and H1 homology domains. Bioluminescence resonance energy transfer measurements in live cells reveal that KCTD12/KCTD16 hetero-oligomers associate with both the receptor and the G-protein. Electrophysiological experiments demonstrate that KCTD12/KCTD16 hetero-oligomers impart unique kinetic properties on G-protein-activated Kir3 currents. During prolonged receptor activation (one min) KCTD12/KCTD16 hetero-oligomers produce moderately desensitizing fast deactivating K(+) currents, whereas KCTD12 and KCTD16 homo-oligomers produce strongly desensitizing fast deactivating currents and nondesensitizing slowly deactivating currents, respectively. During short activation (2 s) KCTD12/KCTD16 hetero-oligomers produce nondesensitizing slowly deactivating currents. Electrophysiological recordings from hippocampal neurons of KCTD knock-out mice are consistent with these findings and indicate that KCTD12/KCTD16 hetero-oligomers increase the duration of slow IPSCs. In summary, our data demonstrate that simultaneous assembly of distinct KCTDs at the receptor increases the molecular and functional repertoire of native GABAB receptors and modulates physiologically induced K(+) current responses in the hippocampus.

  11. Purification of 6-phosphogluconate dehydrogenase from parsley (Petroselinum hortense) leaves and investigation of some kinetic properties.

    Science.gov (United States)

    Demir, Hülya; Ciftçi, Mehmet; Küfrevioğlu, O Irfan

    2003-02-01

    In this study, 6-phosphogluconate dehydrogenase (E.C.1.1.44; 6PGD) was purified from parsley (Petroselinum hortense) leaves, and analysis of the kinetic behavior and some properties of the enzyme were investigated. The purification consisted of three steps that are preparation of homogenate ammonium sulfate fractionation and on DEAE-Sephadex A50 ion exchange. The enzyme was obtained with a yield of 49% and had a specific activity of 18.3 U (mg proteins)(-1) (Lehninger, A.L.; Nelson, D.L.; Cox, M.M. Principles of Biochemistry, 2nd Ed.; Worth Publishers Inc.: N.Y., 2000, 558-560). The overall purification was about 339-fold. A temperature of +4 degrees C was maintained during the purification process. Enzyme activity was spectrophotometrically measured according to the Beutler method at 340 mn. In order to control the purification of the enzyme, SDS-polyacrylamide gel electrophoresis was carried out in 4% and 10% acrylamide for stacking and running gel, respectively. SDS-polyacrylamide gel electrophoresis showed a single band for enzyme. The molecular weight was found to be 97.5 kDa by Sephadex G-150 gel filtration chromatography. A protein band corresponding to a subunit molecular weight of 24.1 kDa was obtained on SDS-polyacrylamide gel electrophoresis. For the enzymes, the stable pH, optimum pH, and optimum temperature were found as 8.0, 8.0, and 50 degrees C, respectively. In addition, KM and Vmax values for NADP+ and G6-P at optimum pH and 25 degrees C were determined by means of Lineweaver-Burk plots.

  12. Mathematical modeling taking into account of intrinsic kinetic properties of cylinder-type vanadium catalyst

    Institute of Scientific and Technical Information of China (English)

    陈振兴; 李洪桂; 王零森

    2004-01-01

    The method to calculate internal surface effective factor of cylinder-type vanadium catalyst Ls-9 was given. Based on hypothesis of subjunctive one dimension diffusion and combined shape adjustment factor with threestep catalytic mechanism model, the macroscopic kinetic model equation about SO2 oxidation on Ls-9 was deduced.With fixed-bed integral reactor and under the conditions of temperature 350 - 410 ℃, space velocity 1 800 - 5 000h-1, SO2 inlet content 7 %- 12%, the macroscopic kinetic data were detected. Through model parameter estimation,the macroscopic kinetic model equation was obtained.

  13. A kinetics study on promising hydrogen storage properties of Mg-based thin films at room temperature.

    Science.gov (United States)

    Qu, Jianglan; Liu, Yang; Xin, Gongbiao; Zheng, Jie; Li, Xingguo

    2014-04-21

    Pd-Mg-Pd thin films with variable thickness of Mg layers were prepared. Their optical and electrical changes in both gasochromic and chemochromic processes were compared to investigate the kinetics of Mg-based thin films at room temperature. Hydrogen absorption and desorption kinetics of Pd-Mg-Pd thin films were strongly dependent on the thickness of the Mg layer. Especially, when the thickness was lowered to 60 nm, a MgH2 layer formed immediately after exposure to H2 at room temperature, while a Mg layer was rapidly generated during hydrogen desorption in ambient air. By means of optical and electrical resistance measurements, we found that the diffusion process contributed significantly to hydrogen absorption and desorption. The remarkable absorption and desorption kinetics at room temperature reported here suggested promising applications in Mg-based energy-efficient devices and hydrogen sensors.

  14. Thermodynamics and Kinetics of Advanced Separations Systems – FY 2010 Summary Report

    Energy Technology Data Exchange (ETDEWEB)

    Leigh R. Martin; Peter R. Zalupski

    2010-09-01

    This report presents a summary of the work performed in the area of thermodynamics and kinetics of advanced separations systems under the Fuel Cycle Research and Development (FCR&D) program during FY 2010. Thermodynamic investigations into metal extraction dependencies on lactate and HDEHP have been performed. These metal distribution studies indicate a substantial deviation from the expected behavior at conditions that are typical of TALSPEAK process operational platform. These studies also identify that no thermodynamically stable mixed complexes exist in the aqueous solutions and increasing the complexity of the organic medium appears to influence the observed deviations. Following on from this, the first calorimetric measurement of the heat of extraction of americium across a liquid-liquid boundary was performed.

  15. Fabrication kinetics and properties of Ni-based nano-arrays embedded in anodic Al IIO 3 film

    Science.gov (United States)

    Yan, Hao; Zhang, Jiancheng; You, Chenxia; Song, Zhenwei; Yu, Benwei; Shen, Yue

    2008-02-01

    By direct current electrodeposition technique combined with the anodic aluminum oxide films, Ni-based nano-arrays were successfully performed. The structure was studied by X-ray diffraction and high-resolution transmission electron microscopy with selected-area electron diffraction. Energy dispersive spectroscopy was used to prove the composition of the prepared nanowires. The magnetic property curves of Ni-based nano-arrays were measured by a physical property measurement system. According to electrochemical analysis, the growth kinetics of the nanowires was studied by determining the relationship between the current and time under different parameters, such as electrolyte temperature and electrodeposition voltage.

  16. Poly(amic acid)s and their poly(amide imide) counterparts containing azobenzene moieties: Characterization, imidization kinetics and photochromic properties

    Energy Technology Data Exchange (ETDEWEB)

    Konieczkowska, Jolanta [Centre of Polymer and Carbon Materials, Polish Academy of Sciences, 34 M. Curie-Sklodowska Str., 41-819 Zabrze (Poland); Institute of Chemistry, University of Silesia, 9 Szkolna Str., 40-006 Katowice (Poland); Janeczek, Henryk [Centre of Polymer and Carbon Materials, Polish Academy of Sciences, 34 M. Curie-Sklodowska Str., 41-819 Zabrze (Poland); Kozanecka-Szmigiel, Anna, E-mail: annak@if.pw.edu.pl [Faculty of Physics, Warsaw University of Technology, 75 Koszykowa Str., 00-662 Warszawa (Poland); Schab-Balcerzak, Ewa, E-mail: eschab-balcerzak@cmpw-pan.edu.pl [Centre of Polymer and Carbon Materials, Polish Academy of Sciences, 34 M. Curie-Sklodowska Str., 41-819 Zabrze (Poland)

    2016-09-01

    We report on a series of novel photochromic poly(amide imide)s and their poly(amic acid) precursors bearing azobenzene chromophores as the side groups. The chemical structures of the polymers were designed so that they exhibited an enhanced thermal stability combined with a large and stable birefringence photogenerated by light of the wavelengths belonging to a wide spectral range. The polymers possessed rigidly attached azochromophores in the content of either one or two per a repeating unit, which in the latter case differed in their structures. The imidization kinetics of the poly(amic acid)s was investigated by differential scanning calorimetry and the kinetic parameters were estimated using Ozawa and Kissinger methods. Measurements of the selected physical properties of the polymers, such as solubility, supramolecular structure, linear absorption, thermal stability, glass transition and photochromic response were performed and used for determination of the structure-property relations. The measurements of photochromic properties showed a very efficient generation of optical anisotropy upon blue and violet irradiation, for both the poly(amide imide)s containing two different chromophores in the repeating unit and for their precursors. For these poly(amide imide)s and for their precursors an exceptionally slow decrease in the photoinduced optical anisotropy in the dark was also observed. - Highlights: • Three azopoly(amide imide)s were obtained from azopoly(amic acid)s. • Chosen physicochemical properties and photochromic responses were measured. • Desired optical response was found for polymers with two azo-dyes in repeating unit. • Structure-property relations were shown.

  17. Inactivation disinfection property of Moringa Oleifera seed extract: optimization and kinetic studies

    Science.gov (United States)

    Idris, M. A.; Jami, M. S.; Hammed, A. M.

    2017-05-01

    This paper presents the statistical optimization study of disinfection inactivation parameters of defatted Moringa oleifera seed extract on Pseudomonas aeruginosa bacterial cells. Three level factorial design was used to estimate the optimum range and the kinetics of the inactivation process was also carried. The inactivation process involved comparing different disinfection models of Chicks-Watson, Collins-Selleck and Homs models. The results from analysis of variance (ANOVA) of the statistical optimization process revealed that only contact time was significant. The optimum disinfection range of the seed extract was 125 mg/L, 30 minutes and 120rpm agitation. At the optimum dose, the inactivation kinetics followed the Collin-Selleck model with coefficient of determination (R2) of 0.6320. This study is the first of its kind in determining the inactivation kinetics of pseudomonas aeruginosa using the defatted seed extract.

  18. Electrode properties of Sr-doped LaMnO{sub 3} on yttria-stabilized zirconia. 2: Electrode kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Heuveln, F.H. van [Netherlands Energy Research Foundation ECN, Petten (Netherlands); Bouwmeester, H.J.M. [Univ. of Twente, Enschede (Netherlands). Dept. of Chemical Technology

    1997-01-01

    A series of six cathodes Sr{sub 0.15}La{sub 0.85}MnO{sub 3} (SLM) on yttria-stabilized zirconia with different morphology of the electrode/electrolyte interface were characterized by ac impedance and dc polarization measurements. It is found that the electrode kinetics at elevated temperature (945 C) are governed by two serial processes. An activation process can be identified to occur at high cathodic overpotential, whereas a transport process competes with charge-transfer at comparatively low overpotential. Attention is drawn to the profound change in the electrocatalytic properties of Sr{sub 0.15}La{sub 0.85}MnO{sub 3} upon current passage and its influence in elucidation of the interfacial kinetics.

  19. A study of the kinetic, dielectric, and rheological properties of thermosetting resins used in pultruded polymer composites

    Science.gov (United States)

    Shanku, Reshma

    A comprehensive analysis has been conducted of the curing behavior of AOC VIBRINRTM E-606-6 (medium reactivity isophthalic), E-964 (high reactivity isophthalic), and P-341 (highest reactivity) polyester resins, and Shell EPON 9310 resin/EPON 9360 curing agent/EPON 537 accelerator resin system using calorimetric, dielectric, and rheological methods. The unsaturated polyester resins were cured with two different catalysts at three levels of concentration. Calorimetry and dielectrometry were employed to obtain polyester resin curing properties for the resin formulations studied. Rheological characterization of selected polyester resin formulations and the EPON 9310 resin system were also conducted. Kinetic parameters for all resin formulations were determined using a differential scanning calorimeter (DSC) by dynamic and isothermal methods. The dynamic and isothermal kinetic parameters obtained were used to generate heat flow values which were compared to the experimental DSC heat flow recorded; kinetic parameters that accurately modeled the pultrusion process were selected. The kinetic parameters were used in a numerical model to predict temperatures and degrees of cure under pultrusion processing conditions. The results obtained from the in-situ dielectric tests conducted on the pultruder in the Composites Material Laboratory at the University of Mississippi were compared to the degree of cure predictions from the numerical model and the experimental degree of cure from calorimetric analysis. Prior to the in-situ pultrusion studies, small quantities of resin formulations were tested for their dielectric cure properties when heated in an oven simulating pultrusion processing temperatures and rate of heating. This technique allowed small quantities of resins to be tested for degrees of cure. It was determined that such screening tests can be effectively conducted and can aid in pultrusion process planning. Complex viscosity profiles until gelation were generated for

  20. Ion Exchange Equilibrium and Kinetic Properties of Polyacrylate Films and Applications to Chemical Analysis and Environmental Decontamination

    Science.gov (United States)

    Tanner, Stephen P.

    1997-01-01

    One of the goals of the original proposal was to study how cross-linking affects the properties of an ion exchange material(IEM) developed at Lewis Research Center. However, prior to the start of this work, other workers at LERC investigated the effect of cross-linking on the properties of this material. Other than variation in the ion exchange capacity, the chemical characteristics were shown to be independent of the cross-linking agent, and the degree of cross-linking. New physical forms of the film were developed (film, supported film, various sizes of beads, and powder). All showed similar properties with respect to ion exchange equilibria but the kinetics of ion exchange depended on the surface area per unit mass; the powder form of the IEM exchanging much more rapidly than the other forms. The research performed under this grant was directed towards the application of the IEM to the analysis of metal ions at environmental concentrations.

  1. Kinetics properties of voltage induced colicin Ia channels into a lipid bilayer

    CERN Document Server

    Cassia-Moura, R

    1998-01-01

    The activation kinetics of the ion channels formed by colicin Ia incorporated into a planar bilayer lipid membrane (BLM) was investigated by the voltage clamp technique using different step voltage stimuli. The temporal behaviour of ion channels put in evidence a gain or a loss of memory, revealed by a specific sequence of electrical pulses used for stimulation.

  2. Kinetic properties and inhibition of Trypanosoma cruzi 3-hydroxy-3-methylglutaryl CoA reductase

    DEFF Research Database (Denmark)

    Hurtado-Guerrrero, Ramón; Pena Diaz, Javier; Montalvetti, Andrea;

    2002-01-01

    A detailed kinetic analysis of the recombinant soluble enzyme 3-hydroxy-3-methylglutaryl CoA reductase (HMGR) from Trypanosoma cruzi has been performed. The enzyme catalyzes the normal anabolic reaction and the reductant is NADPH. It also catalyzes the oxidation of mevalonate but at a lower propo...

  3. FY-2011 Status Report for Thermodynamics and Kinetics of Advanced Separations Systems

    Energy Technology Data Exchange (ETDEWEB)

    Leigh R. Martin; Peter R. Zalupski; Travis S. Grimes

    2011-09-01

    This report presents a summary of the work performed in the area of thermodynamics and kinetics of advanced separations systems under the Fuel Cycle Research and Development (FCR&D) program during FY 2011 at the INL. On the thermodynamic front, investigations of liquid-liquid distribution of lanthanides at TALSPEAK-related conditions continued in FY11. It has been determined that a classical ion-exchanging phase transfer mechanism, where three HDEHP dimers solvate the metal ion in the organic phase, dominates metal extraction for systems that contain up to 0.1 M free lactate in solution. The correct graphical interpretation of the observed data in those regions relied on incorporating corrections for non-ideal behavior of HDEHP dimer in aliphatic diluents as well as sodium extraction equilibria. When aqueous conditions enter the complex regions of high lactate concentrations, slope analysis is no longer possible. When normalized metal distribution ratios were studied along the increasing concentration of free lactate, a slope of -1 was apparent. Such dependency either indicates aqueous complexing competition from lactate, or, a more likely scenario, a participation of lactate in the extracted metal complex. This finding agrees with our initial assessment of postulated changes in the extraction mechanism as a source of the lactate-mediated loss of extraction efficiency. The observed shape in the lanthanide distribution curve in our studies of TALSPEAK systems was the same for solutions containing no lactate or 2.3 M lactate. As such we may conclude that the mechanism of phase transfer is not altered dramatically and remains similarly sensitive to effective charge density of the metal ion. In addition to these thermodynamics studies, this report also summarizes the first calorimetric determination of heat of extraction of 248Cm in a bi-phasic system. The heat of extraction measured by isothermal titration calorimetry is compared to that determined using van

  4. 40 CFR 716.50 - Reporting physical and chemical properties.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Reporting physical and chemical properties. 716.50 Section 716.50 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT HEALTH AND SAFETY DATA REPORTING General Provisions § 716.50 Reporting physical and...

  5. Kinetics of phase transformation and optical property of pink coral zirconia powders

    Energy Technology Data Exchange (ETDEWEB)

    Chu, Hsueh-Liang; Wang, Cheng-Li [Department of Materials Science and Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Hwang, Weng-Sing [Department of Materials Science and Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Institute of Nanotechnology and Microsystems Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Lee, Kuen-Chan, E-mail: kclee@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China); Zhou, Xuedong [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070 (China); Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China)

    2014-07-15

    Highlights: • The single phase of tetragonal ZrO{sub 2} formed when calcined at 1223 K for 1 h. • The tetragonal ZrO{sub 2} fully converted to ZrSiO{sub 4} when calcined at 1323–1473 K for 1 h. • The activation energy of t-ZrO{sub 2} formed is 399.9 kJ/mol when 5 mol% Fe{sub 2}O{sub 3} added. • The activation energy of the Fe/ZrSiO{sub 4} formed is 257.7 kJ/mol when 5 mol% Fe{sub 2}O{sub 3} added. • The growth morphology parameter and crystallization index are about 2.0 and 1.0. - Abstract: The kinetics of phase transformation and optical property of pink coral zircon powders have been studied. The ZrO{sub 2}–SiO{sub 2}–Fe{sub 2}O{sub 3} precursor powders were synthesized using Zr(NO{sub 3}){sub 4}⋅4H{sub 2}O, Si(C{sub 2}H{sub 5}O){sub 4} and Fe(NO{sub 3}){sub 3}⋅9H{sub 2}O as initial materials via the hot–wet routes. The kinetics of phase transformation of the ZrO{sub 2}–SiO{sub 2}–Fe{sub 2}O{sub 3} precursor powders was characterized by thermo-gravimetric (TG)/differential scanning calorimeter (DSC), X-ray diffraction (XRD), transmission electron microscopy (TEM), nano-beam electron diffraction (NBED), and spectrophotometry. The crystallization temperatures of tetragonal zirconia (t-ZrO{sub 2}) and zircon (ZrSiO{sub 4}) of ZrO{sub 2}–SiO{sub 2} precursor powders with 1 mol% Fe{sub 2}O{sub 3} were estimated to be approximately 1204 K and 1496 K, respectively, based on a DSC analysis conducted at a heating rate of 20 K/min. The activation energies of t-ZrO{sub 2} formulation are 428.2, 403.2, and 399.9 kJ/mol, respectively, for ZrO{sub 2}–SiO{sub 2} precursor powders containing 1, 3, and 5 mol% Fe{sub 2}O{sub 3}, respectively, whereas the activation energies of the Fe/ZrSiO{sub 4} formulation are 271.9, 261.9, and 257.7 kJ/mol, respectively. The parameter of growth morphology (n) and index of crystallization (m) were approximated as 2.0 and 1.0, respectively, meaning that two-dimensional growth with plate-like morphology was the

  6. Thermodynamic and kinetic properties of hydrogen defect pairs in SrTiO3 from density functional theory

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Bonanos, Nikolaos; Rossmeisl, Jan

    2011-01-01

    A density functional theory investigation of the thermodynamic and kinetic properties of hydrogen–hydrogen defect interactions in the cubic SrTiO3 perovskite is presented. We find a net attraction between two hydrogen atoms with an optimal separation of ∼2.3 Å. The energy gain is ca. 0.33 e......V compared to two non-interacting H defects. The main cause of the net attractive potential is elastic defect interactions through lattice deformation. Two possible diffusion paths for the hydrogen defect pair are investigated and are both determined to be faster than the corresponding diffusion path...

  7. Kinetic and thermodynamic properties of two barley thioredoxin h isozymes, HvTrxh1 and HvTrxh2

    DEFF Research Database (Denmark)

    Maeda, Kenji; Hägglund, Per; Björnberg, Olof

    2010-01-01

    Barley thioredoxin h isozymes 1 (HvTrxh1) and barley thioredoxin h isozymes 2 (HvTrxh2) show distinct spatiotemporal distribution in germinating seeds. Using a novel approach involving measurement of bidirectional electron transfer rates between Escherichia coli thioredoxin, which exhibits redox......-dependent fluorescence, and the barley isozymes, reaction kinetics and thermodynamic properties were readily determined. The reaction constants were 60% higher for HvTrxh1 than HvTrxh2, while their redox potentials were very similar. The primary nucleophile, Cys(N), of the active site Trp-Cys(N)-Gly-Pro-Cys...

  8. Influence of the metal substrate properties on kinetics of zeolite film formation

    Energy Technology Data Exchange (ETDEWEB)

    Valtchev, V.; Mintova, S.; Konstantinov, L. [Institute of Applied Mineralogy, Sofia (Bulgaria)

    1995-12-01

    The main stages of film formation of the zeolites A. Y and silicalite-1 on differently pretreated cooper substrates is considered from the viewpoint of the film morphology. The molecular sieves crystallization on metal substrate. and microporous modules has extensively studied during last years due to their potential in designing chemical sensors, gas separators, catalysts. etc. The gel chemical composition. the substrate surface structure and its position in the reactor influence considerably the zeolite film formation. The kinetics of film formation is by no means a simple subject to study and its detailed characterization requires an optimal choice of parameters. In this work we consider some kinetics aspects of the deposition of films of zeolites A, Y and silicalite-1 on differently pretreated cooper substrates.

  9. Kinetic Properties of Four Plasmid-Mediated AmpC β-Lactamases

    Science.gov (United States)

    Bauvois, Cédric; Ibuka, Akiko Shimizu; Celso, Almeida; Alba, Jimena; Ishii, Yoshikazu; Frère, Jean-Marie; Galleni, Moreno

    2005-01-01

    The heterologous production in Escherichia coli, the purification, and the kinetic characterization of four plasmid-encoded class C β-lactamases (ACT-1, MIR-1, CMY-2, and CMY-1) were performed. Except for their instability, these enzymes are very similar to the known chromosomally encoded AmpC β-lactamases. Their kinetic parameters did not show major differences from those obtained for the corresponding chromosomal enzymes. However, the Km values of CMY-2 for cefuroxime, cefotaxime, and oxacillin were significantly decreased compared to those of the chromosomal AmpC enzymes. Finally, the susceptibility patterns of different E. coli hosts producing a plasmid- or a chromosome-encoded class C enzyme toward β-lactam antibiotics are mainly due to the overproduction of the β-lactamase in the periplasmic space of the bacteria rather than to a specific catalytic profile of the plasmid-encoded β-lactamases. PMID:16189104

  10. Some Properties of the Kinetic Energy Flux and Dissipation in Turbulent Stellar Convection Zones

    CERN Document Server

    Meakin, Casey

    2010-01-01

    We investigate simulated turbulent flow within thermally driven stellar convection zones. Different driving sources are studied, including cooling at the top of the convectively unstable region, as occurs in surface convection zones; and heating at the base by nuclear burning. The transport of enthalpy and kinetic energy, and the distribution of turbulent kinetic energy dissipation are studied. We emphasize the importance of global constraints on shaping the quasi-steady flow characteristics, and present an analysis of turbulent convection which is posed as a boundary value problem that can be easily incorporated into standard stellar evolution codes for deep, efficient convection. Direct comparison is made between the theoretical analysis and the simulated flow and very good agreement is found. Some common assumptions traditionally used to treat quasi-steady turbulent flow in stellar models are briefly discussed. The importance and proper treatment of convective boundaries are indicated.

  11. Revealing kinetics and state-dependent binding properties of IKur-targeting drugs that maximize atrial fibrillation selectivity

    Science.gov (United States)

    Ellinwood, Nicholas; Dobrev, Dobromir; Morotti, Stefano; Grandi, Eleonora

    2017-09-01

    The KV1.5 potassium channel, which underlies the ultra-rapid delayed-rectifier current (IKur) and is predominantly expressed in atria vs. ventricles, has emerged as a promising target to treat atrial fibrillation (AF). However, while numerous KV1.5-selective compounds have been screened, characterized, and tested in various animal models of AF, evidence of antiarrhythmic efficacy in humans is still lacking. Moreover, current guidelines for pre-clinical assessment of candidate drugs heavily rely on steady-state concentration-response curves or IC50 values, which can overlook adverse cardiotoxic effects. We sought to investigate the effects of kinetics and state-dependent binding of IKur-targeting drugs on atrial electrophysiology in silico and reveal the ideal properties of IKur blockers that maximize anti-AF efficacy and minimize pro-arrhythmic risk. To this aim, we developed a new Markov model of IKur that describes KV1.5 gating based on experimental voltage-clamp data in atrial myocytes from patient right-atrial samples in normal sinus rhythm. We extended the IKur formulation to account for state-specificity and kinetics of KV1.5-drug interactions and incorporated it into our human atrial cell model. We simulated 1- and 3-Hz pacing protocols in drug-free conditions and with a [drug] equal to the IC50 value. The effects of binding and unbinding kinetics were determined by examining permutations of the forward (kon) and reverse (koff) binding rates to the closed, open, and inactivated states of the KV1.5 channel. We identified a subset of ideal drugs exhibiting anti-AF electrophysiological parameter changes at fast pacing rates (effective refractory period prolongation), while having little effect on normal sinus rhythm (limited action potential prolongation). Our results highlight that accurately accounting for channel interactions with drugs, including kinetics and state-dependent binding, is critical for developing safer and more effective pharmacological anti

  12. Preparation, curing kinetic and properties of a novel amine with flexible polyoxypropylene side chain curing agent for epoxy resin

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Guiyou, E-mail: guiyouwang@ecust.edu.cn; Jiang, Guanlan; Zhang, Jie

    2014-08-10

    Highlights: • Novel amines with different length of flexible polyoxypropylene side chain (AFPE) were synthesized. • The non-isothermal curing kinetics of DGEBA/AFPEs were studied in detail. • Structure, morphology and physical properties of AFPEs modified diethylenetriamine/DGEBA systems were studied, and results showed that AFPE was a novel and effective toughening agent for epoxy resins. - Abstract: A novel amine with flexible polyoxypropylene side chain (AFPE) was synthesized and characterized with FT-IR and NMR. Then, AFPEs with different molecular weight were used as a curing agent for diglycidyl ether of bisphenol A (DGEBA), and non-isothermal reaction was detected with DSC. The kinetic parameters of the curing process were determined by Málek method. A two-parameter (m, n) autocatalytic model (Šesták–Berggren equation) was found to be adequate to describe the reaction-controlled kinetics of the studied epoxy resins, yet was insufficient in depicting the diffusion-controlled kinetics of the epoxy resins. The values of E{sub a} depended on the molecular weight of AFPEs, and increased with longer polyoxypropylene chain length in the AFPE. Dynamic mechanical analysis of AFPEs modified DGEBA/diethylenetriamine systems found that with the increasing molecular weight of AFPEs, α relaxation temperature, β relaxation temperature and crosslinking density decreased, while impact strength and elongation at break improved. From scanning electron microscope, tensile surfaces were rougher and sizes of cavities in the surface became larger with the increasing molecular weight of AFPEs. Our study showed that AFPE was a novel and effective toughening agent for epoxy resins.

  13. Adsorption Kinetic Properties of As(III) on Synthetic Nano Fe-Mn Binary Oxides

    Institute of Scientific and Technical Information of China (English)

    Mei Yu; Yanxin Wang; Shuqiong Kong; Evalde Mulindankaka; Yuan Fang; Ya Wu

    2016-01-01

    The adsorptive removal of arsenic by synthetically-prepared nano Fe-Mn binary oxides (FM) was investigated. A novel method using potassium permanganate and ferric chloride as raw materials was used to synthesise FM. The molar ratio of Fe and Mn in the synthetic Fe-Mn binary oxides was 4 : 3. The FM-1 and FM-2 (prepared at different activation temperatures) having high specific surface areas (358.87 and 128.58 m2/g, respectively) were amorphous and of nano particle types. The amount of arsenic adsorbed on FM-1 was higher than that adsorbed on FM-2 particles. After adsorption by FM-1, residual arsenic concentration decreased to less than 10μg/L. The adsorption kinetics data were analyzed using different kinetic models including pseudofirst-order model, pseudo second-order model, Elovich model and in-traparticle diffusion model. Pseudo second-order kinetic model was the most appropriate model to describe the adsorption kinetics. The adsorption percentage of As(III) increased in the pH range of 2–3 while it de-creased with the increase of pH ( 3

  14. An experimental system to investigate kinetics and isotopic properties of the electrolytic metal hydride formation

    Energy Technology Data Exchange (ETDEWEB)

    Leardini, F. [Dpto. Fisica de Materiales, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain)]. E-mail: fabrice.leardini@uam.es; Bodega, J. [Dpto. Fisica de Materiales, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Fernandez, J.F. [Dpto. Fisica de Materiales, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Sanchez, C. [Dpto. Fisica de Materiales, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain)

    2005-12-08

    We present in this paper an experimental set-up based in a mass spectrometer connected to a closed electrolytic cell. Calibrations accomplished with a Pt cathode and H{sub 2}O/D{sub 2}O mixtures have shown new kinetics in galvanostatic electrolysis. These findings may be relevant in some important processes such as the hydrogen evolution reaction, isotopic separation factors or the electrolytic formation of metal hydrides.

  15. Kinetic and thermodynamic properties of soybean grains during the drying process

    Directory of Open Access Journals (Sweden)

    Daniel Emanuel Cabral de Oliveira

    2013-09-01

    Full Text Available The aims of this work were to adjust different mathematical models to experimental data describing the drying of the Valiosa cultivar soybean grain, to determine and to evaluate the effective diffusion coefficient and to obtain the activation energy and the thermodynamic properties of the drying process under different air conditions. The experiments were conducted at the Federal Institute of Education, Science and Technology of Goiás (Instituto Federal de Educação, Ciência e Tecnologia Goiano – Câmpus Rio Verde. The Valiosa cultivar soybean grains, with an initial moisture content on a dry basis of 0.56 (d.b., decimal, were dried in an oven with forced air ventilation at five different temperatures (40, 55, 70, 85 and 100°C until reaching a moisture content of 0.133±0.019 (d.b.. Of the models analyzed, Page’s model was selected to best represent the drying phenomenon. The effective diffusion coefficient of soybeans increased with the air temperature and was described by the Arrhenius equation; an activation energy of 22.77 kJ mol–1 was reported for liquid diffusion in the drying of the soybeans. The enthalpy and entropy decreased with increasing temperature, while the Gibbs free energy increased with increasing drying temperature.

  16. Distinct kinetics of molecular gelation in a confined space and its relation to the structure and property of thin gel films.

    Science.gov (United States)

    Liu, Yu; Zhao, Wen-Jing; Li, Jing-Liang; Wang, Rong-Yao

    2015-03-28

    Thin films of molecular gels formed in a confined space have potential applications in transdermal delivery, artificial skin, molecular electronics, etc. The microstructures and properties of thin gel films can be significantly different from those of their bulk counterparts. However, so far a comprehensive understanding of the effects of spatial confinement on the molecular gelation kinetics, fiber network structure and related mechanical properties is still lacking. In this work, using rheological techniques, we investigated the effect of one-dimensional confinement on the formation kinetics of fiber networks in the molecular gelation process. Fractal analyses of the kinetic information in terms of an extended Dickinson model enabled us to describe quantitatively the distinct kinetic signature of molecular gelation. The structural features derived from gelation kinetics support well the fractal patterns of the fiber networks acquired by optical and electron microscopy. With the kinetics-structure correlation, we can gain an in-depth understanding of the confinement-induced differences in the structure and consequently the mechanical properties of a model molecular gelling system. Particularly, the confinement induced structural transition, from a three-dimensional, dense and compact spherulitic network composed of highly branched fibers to a quasi-two-dimensional sparse spherulitic network composed of less branched fibers and entangled fibrils at the boundary areas, renders a gel film to become less stiff but more ductile. Our study suggests here a new strategy of engineering the fiber network microstructure to achieve functional gel films with unusual but useful properties.

  17. Improvements in the electrochemical kinetic properties and rate capability of anatase titanium dioxide nanoparticles by nitrogen doping.

    Science.gov (United States)

    Zhang, Yongquan; Du, Fei; Yan, Xiao; Jin, Yuming; Zhu, Kai; Wang, Xue; Li, Haoming; Chen, Gang; Wang, Chunzhong; Wei, Yingjin

    2014-03-26

    Pure anatase TiO2 and N-doped TiO2 nanoparticles were prepared by a solvothermal method. X-ray photoelectron spectroscopy showed that the surface of the doped material was dominated by interstitial N, while interstitial and substitutional N coexisted in the material bulk. Both materials showed superior cycle stability. In addition, the N-doped material exhibited much better rate capability than pure TiO2. A discharge capacity of 45 mAh g(-1) was obtained at the 15 C rate, which was 80% higher than that of pure TiO2. The electrochemical kinetic properties of the materials were studied by a galvanostatic intermittent titration technique and electrochemical impedance spectroscopy. The charge-transfer resistance of TiO2 was decreased by N doping. Meanwhile, the minimum lithium diffusion coefficient was increased to 2.14 × 10(-11) cm(2) s(-1), which is 13 times higher than that of pure TiO2. This indicates that the electrochemical kinetic properties of TiO2 were improved by N doping, which substantially improved the specific capacity and rate capability of TiO2.

  18. Inactivated properties of activated carbon-supported TiO2 nanoparticles for bacteria and kinetic study.

    Science.gov (United States)

    Li, Youji; Ma, Mingyuan; Wang, Xiaohu; Wang, Xiaohua

    2008-01-01

    The activated carbon-supported TiO2 nanoparticles (TiO2/AC) were prepared by a properly controlled sol-gel method. The effects of activated carbons (AC) support on inactivated properties of TiO2 nanoparticles were evaluated by photocatalytic inactivation experiments of Escherichia coli. The key factors affecting the inactivation efficiency were investigated, including electric power of lamp, temperature, and pH values. The results show that the TiO2/AC composites have high inactivation properties of E. coli in comparison with pure TiO2 powder. The kinetics of photocatalytic inactivation of E. coli was found to follow a pseudo-first order rate law for TiO2/AC composites, and kinetic behavior could be described in terms of a modified Langmuir-Hinshelwood model. The values of the adsorption equilibrium constants for the bacteria, K(c), and for the rate constants, k(r), were certainly depended on TiO2 content. At 47 wt.% TiO2 coatings with the highest rate constant, the K(c) and k(r) were 1.17 x 10(-8) L/cfu and 1.43 x 10(6) cfu/(L x min), respectively. The variety of parameters shows significant effects on inactivation rate. The outer layer of bacteria decomposed first resulting in inactivation of cell, and with further illumination, the cells nearly decomposed.

  19. Inactivated properties of activated carbon-supported TiO2 nanoparticles for bacteria and kinetic study

    Institute of Scientific and Technical Information of China (English)

    LI Youji; MA Mingyuan; WANG Xiaohu; WANG Xiaohua

    2008-01-01

    The activated carbon-supported TiO2 nanoparticles (TiO2/AC) were prepared by a properly controlled sol-gel method. The effects of activated carbons (AC) support on inactivated properties of TiO2 nanoparticles were evaluated by photocatalytic inactivation experiments ofEscherichia coli. The key factors affecting the inactivation efficiency were investigated, including electric power of lamp, temperature, and pH values. The results show that the TiO2/AC composites have high inactivation properties of E. coli in comparison with pure TiO2 powder. The kinetics of photocatalytic inactivation of E. coli was found to follow a pseudo-first order rate law for TiO2/AC composites, and kinetic behavior could be described in terms of a modified Langmuir-Hinshelwood model. The values of the adsorption equilibrium constants for the bacteria, Kc, and for the rate constants, kr, were certainly depended on TiO2 content. At 47 variety of parameters shows significant effects on inactivation rate. The outer layer of bacteria decomposed first resulting in inactivation of cell, and with further illumination, the cells nearly decomposed.

  20. Recommendations on adopting the values and correlations for calculating the thermophysical and kinetic properties of liquid lead

    Science.gov (United States)

    Savchenko, I. V.; Lezhnin, S. I.; Mosunova, N. A.

    2015-06-01

    Recent years have seen an essentially increased interest in studying the properties of liquid lead, which is primarily connected with the possibility of using it as coolant in nuclear power installations, first of all, in reactors based on fission of heavy nuclei by fast neutrons. The article presents an analysis of published data on the thermophysical and kinetic properties of lead in liquid state, the results of which served as a basis for selecting and recommending correlations to be used in carrying out scientific and engineering calculations. A general assessment of the state of experimental investigations into the thermophysical properties of liquid lead is presented. The presented value of lead solidification temperature is the maximally reliable one. The data on the boiling temperature, melting and vaporization enthalpies, and saturated vapor pressure have been determined with satisfactory accuracy. The published data on the liquid lead heat capacity differ considerably from each other; therefore, the recommended values should be experimentally checked and determined more exactly. The available experimental data on surface tension density, volumetric expansion coefficient, sound velocity, viscosity, and thermal conductivity do not cover the entire range of liquid phase existence temperatures. The temperature region above 1200 K and the crystal-liquid phase transition region are the least studied ones. Additional investigations of these properties in the above-mentioned temperature intervals are necessary. The question about the influence of impurities on the thermophysical properties of lead still remains to be answered and requires experimental investigations.

  1. Non-isothermal curing kinetics and physical properties of MMT-reinforced unsaturated polyester (UP) resins

    Energy Technology Data Exchange (ETDEWEB)

    Vargas, María A., E-mail: angelesvh@yahoo.com [Tecnológico de Estudios Superiores de Ecatepec, Av. Tecnológico S/N, Valle de Anáhuac, 55210 Ecatepec de Morelos (Mexico); Vázquez, H. [Universidad Autónoma Metropolitana-Iztapalapa, Departamento de Física, Av. San Rafael Atlixco 186, col. Vicentina, Mexico, D.F. 09340 (Mexico); Guthausen, G. [KIT, Pro2NMR at MVM and IBG, Karlsruhe (Germany)

    2015-07-10

    Highlights: • Non-isothermal DSC analysis results have shown that the addition of MMT to a UP resin produces a delay in the cure reaction. • The shape of experimental heat-flow DSC curves showed two exothermic peaks for all the samples at different heating rates. • The overall kinetic analysis was performed by isoconversional methods. • It was found that the dependence of the activation energy (E{sub a}) on degree of reaction (α) is complex. - Abstract: Cure behavior of unsaturated polyester (UP)/montmorillonite (MMT)/methyl ethyl ketone peroxide (MEKP)/cobalt octoate intercalated nanocomposites with various MMT loadings was investigated by dynamic differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and transmission electron microscopy (TEM). UP/MMT nanocomposites were prepared by sequential mixing. Non-isothermal DSC curves were obtained by applying heating rates ranging from 5 to 20 °C/min. They presented two exothermic peaks, which should correspond to two independent cure reactions. The effective activation energy E{sub a}, was determined by applying both the Kissinger’s and Starink’s methods. The results showed slightly higher activation energy for nanocomposites, except for UP/10-MMT. It was found that the dependence of E{sub a} on α is complex. All the systems in this study fitted Sesták–Berggren (SB) model in overall reaction controlled kinetics and the corresponding model parameters, n, m, A were obtained, but it was insufficient in depicting the complex reaction kinetics. Transmission electron microscopy data support the formation of a partially delaminated nanocomposite material. UP and nanocomposites showed similar behavior on thermal stability.

  2. Equilibrium and stability properties of detonation waves in the hydrodynamic limit of a kinetic model

    Science.gov (United States)

    Marques, Wilson, Jr.; Jacinta Soares, Ana; Pandolfi Bianchi, Miriam; Kremer, Gilberto M.

    2015-06-01

    A shock wave structure problem, like the one which can be formulated for the planar detonation wave, is analyzed here for a binary mixture of ideal gases undergoing the symmetric reaction {{A}1}+{{A}1}\\rightleftharpoons {{A}2}+{{A}2}. The problem is studied at the hydrodynamic Euler limit of a kinetic model of the reactive Boltzmann equation. The chemical rate law is deduced in this frame with a second-order reaction rate, in a chemical regime such that the gas flow is not far away from the chemical equilibrium. The caloric and the thermal equations of state for the specific internal energy and temperature are employed to close the system of balance laws. With respect to other approaches known in the kinetic literature for detonation problems with a reversible reaction, this paper aims to improve some aspects of the wave solution. Within the mathematical analysis of the detonation model, the equation of the equilibrium Hugoniot curve of the final states is explicitly derived for the first time and used to define the correct location of the equilibrium Chapman-Jouguet point in the Hugoniot diagram. The parametric space is widened to investigate the response of the detonation solution to the activation energy of the chemical reaction. Finally, the mathematical formulation of the linear stability problem is given for the wave detonation structure via a normal-mode approach, when bidimensional disturbances perturb the steady solution. The stability equations with their boundary conditions and the radiation condition of the considered model are explicitly derived for small transversal deviations of the shock wave location. The paper shows how a second-order chemical kinetics description, derived at the microscopic level, and an analytic deduction of the equilibrium Hugoniot curve, lead to an accurate picture of the steady detonation with reversible reaction, as well as to a proper bidimensional linear stability analysis.

  3. Thermochemical Properties and Non-isothermal Decomposition Reaction Kinetics of N-Guanylurea Dinitramide (GUDN)

    Institute of Scientific and Technical Information of China (English)

    ZHAO, Feng-Qi(赵凤起); CHEN, Pei(陈沛); YUAN, Hong-An(袁宏安); GAO, Sheng-Li(高胜利); HU, Rong-Zu(胡荣祖); SHI, Qi-Zhen(史启祯)

    2004-01-01

    The constant-volume combustion energy,(△) cU(GUDN, s, 298.15 K), enthalpy of solution in acetic ether,(△)solHm(I) and kinetic behavior of the exothermic decomposition reaction of the title compound (GUDN) are determined by a precise rotating bomb calorimeter, a Calvet microcalorimeter and DSC, respectively. Its standard enthalpy of combustion,(△)cHm(I) (GUDN, s, 298.15 K), standard enthalpy of formation,(△)fHm(I) (GUDN, s, 298.15 K) and kinetic parameters of the exothermic main decomposition reaction in a temperature-programmed mode [the apparent activation energy (Ea) and pre-exponential factor (A)] are calculated. The values of (△)cU(GUDN, s, 298.15 K), (△)cHm(I)(GUDN, s, 298.15 K),(△)fHm(I) (GUDN, s, 298.15 K) and (△)solHm(I)of GUDN are (-7068.64±2.37) J·g-1, (-1467.66±0.50) kJ·mol-1, (-319.76±0.58) kJ·mol-1 and (165.737±0.013) kJ·mol-1, respectively. The kinetic model function in integral form and the value of and A of the exothermic main decomposition reaction of GUDN are 220.20 kJ·mol-1 and 1021.18 s-1, respectively. The critical temperature of thermal explosion of GUDN is 217.6 ℃

  4. Thermophysical properties and reaction kinetics of γ-irradiated poly allyl diglycol carbonates nuclear track detector

    Science.gov (United States)

    Elmaghraby, Elsayed K.; Seddik, Usama

    2015-07-01

    Kinetic thermogravimetric technique was used to study the effect of gamma irradiation on the poly allyl diglycol carbonates (PADC) within the dose range from 50 to ? Gy. The approach of Coats-Redfern was used to analyze the data. Results showed that low doses around 50 Gy make the polymer slightly more resistive to heat treatment. Higher radiation doses cause severe effects in the samples accompanied by the formation of lower molecular mass species and consequent crosslinking. Results support the domination of re-polymerization and crosslinking for the γ radiation interaction PADC at dose below about ? Gy, while the situation is inverted above ? Gy in which chain secession dominates.

  5. Kinetic properties and small-molecule inhibition of human myosin-6

    Science.gov (United States)

    Heissler, Sarah M.; Selvadurai, Jayashankar; Bond, Lisa M.; Fedorov, Roman; Kendrick-Jones, John; Buss, Folma; Manstein, Dietmar J.

    2012-01-01

    Myosin-6 is an actin-based motor protein that moves its cargo towards the minus-end of actin filaments. Mutations in the gene encoding the myosin-6 heavy chain and changes in the cellular abundance of the protein have been linked to hypertrophic cardiomyopathy, neurodegenerative diseases, and cancer. Here, we present a detailed kinetic characterization of the human myosin-6 motor domain, describe the effect of 2,4,6-triiodophenol on the interaction of myosin-6 with F-actin and nucleotides, and show how addition of the drug reduces the number of myosin-6-dependent vesicle fusion events at the plasma membrane during constitutive secretion. PMID:22884421

  6. Inspection Report "Personal Property Management at Lawrence Livermore National Laboratory"

    Energy Technology Data Exchange (ETDEWEB)

    None

    2009-05-01

    The Department of Energy's (DOE's) Lawrence Livermore National Laboratory (Livermore) is a premier research and development institution for science and technology supporting the core mission of national security. According to Livermore, as of November 2008 the Laboratory managed 64,933 items of Government personal property valued at about $1 billion. At the beginning of Fiscal Year 2008, Livermore reported 249 DOE property items valued at about $1.3 million that were missing, unaccounted for, or stolen during Fiscal Year 2007. Livermore centrally tracks property utilizing the Sunflower Assets system (Sunflower), which reflects the cradle to grave history of each property item. Changes in the custodianship and/or location of a property item must be timely reported by the custodian to the respective property center representative for updating in Sunflower. In Fiscal Year 2008, over 2,000 individuals were terminated as a result of workforce reduction at Livermore, of which about 750 received a final notification of termination on the same day that they were required to depart the facility. All of these terminations potentially necessitated updates to the property database, but the involuntary terminations had the potential to pose particular challenges because of the immediacy of individuals departures. The objective of our inspection was to evaluate the adequacy of Livermore's internal controls over Government property. Based upon the results of our preliminary field work, we particularly focused on personal property assigned to terminated individuals and stolen laptop computers. We concluded that Livermore's internal controls over property could be improved, which could help to reduce the number of missing, unaccounted for, or stolen property items. Specifically, we found that: (1) The location and/or custodian of approximately 18 percent of the property items in our sample, which was drawn from the property assigned to individuals terminated on

  7. Wound healing properties and kill kinetics of Clerodendron splendens G. Don, a Ghanaian wound healing plant

    Directory of Open Access Journals (Sweden)

    Stephen Y Gbedema

    2010-01-01

    Full Text Available As part of our general objective of investigating indigenous plants used in wound healing in Ghana, we hereby report our findings from some in vitro and in vivo studies related to wound healing activities of Clerodendron splendens G. Don (Verbanaceae. Methanolic extract of the aerial parts of the plant was tested for antimicrobial activity against Gram positive bacteria (Bacillus subtilis, Staphylococcus aureus, Streptococcus faecalis, Micrococcus flavus, as well as resistant strains of Staph. aureus SA1199B, RN4220 and XU212, Gram negative bacteria (Escherichia coli, Pseudomonas aeruginosa, Proteous mirabilis, Klebsiella pneumoniae and Candida albicans using the micro-well dilution method. Survivor-time studies of the microorganisms, radical scavenging activity using 2,2′-diphenylpicrylhydrazyl (DPPH and various in vivo wound healing activity studies were also conducted on the extract. The extract exhibited biostatic action against all the test microorganisms with a Minimum Inhibition Concentration (MIC ranging between 64 and 512 μg/ml and a free radical scavenging property with an IC 50 value of 103.2 μg/ml. The results of the in vivo wound healing tests showed that upon application of C. splendens ointment, there was a reduction in the epithelization period from 26.7 days (control to 13.6 days along with a marked decrease in the scar area from 54.2 mm 2 (control to 25.2 mm 2 . Significant increase in the tensile strength and hydroxyproline content were also observed as compared to the control and was comparable to nitrofurazone. The above results appear to justify the traditional use of C. splendens in wound healing and treatment of skin infections in Ghana.

  8. Reporting buckling strength and elastic properties of nanowires

    Science.gov (United States)

    Shaat, M.; Abdelkefi, A.

    2016-12-01

    Nanocrystalline-nanowires have been incorporated in many micro-/nano-scale applications. To design nanowires-based nano-devices, studies should be conducted on the characterization of the elastic properties and the buckling strengths of nanowires. The challenge associated with detecting the properties of nanowires is that their properties are size-dependent. This motivated us to propose a model for the mechanics of nanocrystalline nanowires. In the context of this model, new measures are incorportated to account for the nanowire material structure and size effects and to reflect the experimental observations of nanomaterials-nanowires. This model is then harnessed to report the ranges of the buckling strength and the elastic properties of nanowires made of nanocrystalline diamond, Si, Al, Cu, Ag, Au, and Pt, for the first time. First, we report the range of the grain boundary Young's modulus for the various nanocrystalline materials. Depending on the contents of the grain boundary and the amount of impurities, the grain boundary Young's modulus is likely to be within the reported ranges. Second, for each grain size (from 200 nm to 2 nm), we report the range of Young's modulus, shear modulus, bulk modulus, and mass density of the aforementioned nanocrystalline nanomaterials. Third, we report the buckling strength and the equivalent Young's modulus of nanowires with different sizes accounting for the nanowire surface effects. The reported ranges of the buckling strength and the elastic properties of nanowires are experimentally validated.

  9. Phase transitions and kinetic properties of gold nanoparticles confined between two-layer graphene nanosheets

    Science.gov (United States)

    Wang, Gang; Wu, Nanhua; Chen, Jionghua; Wang, Jinjian; Shao, Jingling; Zhu, Xiaolei; Lu, Xiaohua; Guo, Lucun

    2016-11-01

    The thermodynamic and kinetic behaviors of gold nanoparticles confined between two-layer graphene nanosheets (two-layer-GNSs) are examined and investigated during heating and cooling processes via molecular dynamics (MD) simulation technique. An EAM potential is applied to represent the gold-gold interactions while a Lennard-Jones (L-J) potential is used to describe the gold-GNS interactions. The MD melting temperature of 1345 K for bulk gold is close to the experimental value (1337 K), confirming that the EAM potential used to describe gold-gold interactions is reliable. On the other hand, the melting temperatures of gold clusters supported on graphite bilayer are corrected to the corresponding experimental values by adjusting the εAu-C value. Therefore, the subsequent results from current work are reliable. The gold nanoparticles confined within two-layer GNSs exhibit face center cubic structures, which is similar to those of free gold clusters and bulk gold. The melting points, heats of fusion, and heat capacities of the confined gold nanoparticles are predicted based on the plots of total energies against temperature. The density distribution perpendicular to GNS suggests that the freezing of confined gold nanoparticles starts from outermost layers. The confined gold clusters exhibit layering phenomenon even in liquid state. The transition of order-disorder in each layer is an essential characteristic in structure for the freezing phase transition of the confined gold clusters. Additionally, some vital kinetic data are obtained in terms of classical nucleation theory.

  10. Impact of natural organic matter properties on the kinetics of suspended ion exchange process.

    Science.gov (United States)

    Bazri, Mohammad Mahdi; Mohseni, Madjid

    2016-03-15

    Removal kinetics of four standard organic matter isolates under the application of strongly basic ion exchange resins (IEX) in suspended mode was studied under commercial application conditions. Suwannee River natural organic matter (SRNOM), SR fulvic acid (SRFA), and Pony Lake fulvic acid (PLFA) were greatly removed (>90%) and highly preferred by IEX resins (α > 5, over Cl(-), and HCO3(-)) while SR humic acid (SRHA) was the least preferred organic structure among the four isolates studied (α ≈ 1). Moreover, the efficacy of removal for fulvic acids (i.e., SRFA, PLFA) was consistent over consecutive reuse of IEX resins (i.e., loading cycles) whereas it decreased for SRNOM and SRHA over the course of operation. The stoichiometric correlation between the chloride released from the resins as a result of organic molecules uptake indicated that ion exchange was the dominant mechanism. Results obtained indicated that molecular weight and charge density of isolates played a major role in the performance of ion exchange process for organic matter removal. Furthermore, various empirical and physical models were evaluated using the experimental data and pore diffusion was found to be the rate-liming step during the uptake of organic matters; hence, it was used as the appropriate model to predict the kinetics of removal. Consequently, free liquid diffusivities and effective pore diffusion coefficients of organic molecules were estimated and findings were in agreement with the literature data that were obtained from spectrophotometric methods.

  11. Kinetic structure and wave properties associated with sharp dipolarization front observed by Cluster

    Directory of Open Access Journals (Sweden)

    S. Y. Huang

    2012-01-01

    Full Text Available Multiple dipolarization fronts (DFs were observed by Cluster spacecraft in the magnetotail during a substorm. These DFs were kinetic structures, embedded in the bursty plasma flow, and moved earthward (mainly and dawnward. Intense electric field, parallel and perpendicular currents were detected in the DF layer. These front layers were energy dissipation region (load region where the energy of electromagnetic fields were transferred to the plasma thermal and kinetic energy. This dissipation was dominated by electrons. There were enhancements of plasma waves around the DF region: wavelet results show that wave activities around the ion cyclotron frequency in the front layer were generated by Alfvén ion cyclotron instability; whistler waves were also detected before, during and after the DFs, which are triggered by electron temperature anisotropy and coincident with enhancement of energetic electron fluxes. The observation of these waves could be important for the understanding of evolution of DF and electron energization during the substorm. We discuss the generation mechanism of the DFs and suggest that these DFs were generated in the process of transient reconnection, and then traveled toward the Earth.

  12. Mechanistic and kinetic studies of high-temperature coal gas desulfurization sorbents. Final report, July 1988--July 1991

    Energy Technology Data Exchange (ETDEWEB)

    Lew, S.; Flytzani-Stephanopoulos, M.; Sarofim, A.F.

    1991-10-01

    The overall objective of this project was to investigate the properties of and evaluate mixed oxides of zinc and titanium for hot fuel gas desulfurization. Uncombined ZnO was also investigated as a base case. Detailed investigation of the reduction and sulfidation reactions of Zn-Ti-O sorbents was performed. The intrinsic kinetics and the product layer diffusion rates in reduction and sulfidation were determined. Kinetic experiments with sorbents containing various Zn/Ti atomic ratios were performed. Chemical phase and structural transformations were followed by various methods. The results were compared to similar experiments performed with ZnO. The purpose of these experiments was to determine how the presence of titanium dioxide affects the reduction and sulfidation of ZnO. This information would be used to identify and select the sorbent composition that gives the best combination of low reduction rate and acceptable sulfidation performance at temperatures exceeding 600{degree}C. (VC)

  13. Kinetic properties of mouse pancreatic lipase-related protein-2 suggest the mouse may not model human fat digestion.

    Science.gov (United States)

    Xiao, Xunjun; Ross, Leah E; Miller, Rita A; Lowe, Mark E

    2011-05-01

    Genetically engineered mice have been employed to understand the role of lipases in dietary fat digestion with the expectation that the results can be extrapolated to humans. However, little is known about the properties of mouse pancreatic triglyceride lipase (mPTL) and pancreatic lipase-related protein-2 (mPLRP2). In this study, both lipases were expressed in Pichia Pastoris GS115, purified to near homogeneity, and their properties were characterized. Mouse PTL displayed the kinetics typical of PTL from other species. Like mPTL, mPLRP2 exhibited strong activity against various triglycerides. In contrast to mPTL, mPLRP2 was not inhibited by increasing bile salt concentration. Colipase stimulated mPLRP2 activity 2- to 4-fold. Additionally, mPTL absolutely required colipase for absorption to a lipid interface, whereas mPLRP2 absorbed fully without colipase. mPLRP2 had full activity in the presence of BSA, whereas BSA completely inhibited mPTL unless colipase was present. All of these properties of mPLRP2 differ from the properties of human PLRP2 (hPLRP2). Furthermore, mPLRP2 appears capable of compensating for mPTL deficiency. These findings suggest that the molecular mechanisms of dietary fat digestion may be different in humans and mice. Thus, extrapolation of dietary fat digestion in mice to humans should be done with care.

  14. Development of a pilot-scale kinetic extruder feeder system and test program. Phase II. Verification testing. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1984-01-12

    This report describes the work done under Phase II, the verification testing of the Kinetic Extruder. The main objective of the test program was to determine failure modes and wear rates. Only minor auxiliary equipment malfunctions were encountered. Wear rates indicate useful life expectancy of from 1 to 5 years for wear-exposed components. Recommendations are made for adapting the equipment for pilot plant and commercial applications. 3 references, 20 figures, 12 tables.

  15. Ca2+_, Sr2+_force relationships and kinetic properties of fast-twitch rat leg muscle fibre subtypes.

    Science.gov (United States)

    Galler, S

    1999-10-01

    Force generation of fast-twitch and slow-twitch fibres exhibits large differences in its sensitivity to Ca2+ and Sr2+ (e.g. Fink et al. 1986). Little is known about fast-twitch fibre subtypes. Thus, a variety of mechanical measurements on segments of rehydrated freeze-dried fast-twitch rat leg muscle fibres were executed in this study. Among these, the Ca2+- and Sr2+-force relationship and the unloaded shortening velocity were determined. The fibres were classified into subtypes according to their kinetics of stretch activation (Galler et al. 1994). In all fibres, the maximal force under Sr2+ activation was about 0.9 of that under Ca2+ activation. The Ca2+- and Sr2+-force relationship exhibited a biphasic shape with a steeper part (Hill coefficient, n1) below 50% and a flatter part (Hill coefficient, n2) above 50% of maximal force. The difference between the Ca2+ - and Sr2+ -sensitivity was independent of the fibre subtypes. The Hill coefficients were only partially correlated with kinetic properties. The correlation was more pronounced for the unloaded shortening velocity than for the kinetics of stretch activation. The data are consistent with the idea that the Ca2+ and Sr2+ sensitivities of fast-twitch fibres are mainly determined by a single isoform of troponin C. Among several protein isoforms, the isoforms of the myosin light chains seem to be involved for determining the slope of the Ca2+- and Sr2+-force relationship of fast-twitch muscle fibres.

  16. Constraining Solar Wind Heating Processes by Kinetic Properties of Heavy Ions.

    Science.gov (United States)

    Tracy, Patrick J; Kasper, Justin C; Raines, Jim M; Shearer, Paul; Gilbert, Jason A; Zurbuchen, Thomas H

    2016-06-24

    We analyze the heavy ion components (A>4  amu) in collisionally young solar wind plasma and show that there is a clear, stable dependence of temperature on mass, probably reflecting the conditions in the solar corona. We consider both linear and power law forms for the dependence and find that a simple linear fit of the form T_{i}/T_{p}=(1.35±.02)m_{i}/m_{p} describes the observations twice as well as the equivalent best fit power law of the form T_{i}/T_{p}=(m_{i}/m_{p})^{1.07±.01}. Most importantly we find that current model predictions based on turbulent transport and kinetic dissipation are in agreement with observed nonthermal heating in intermediate collisional age plasma for m/qSolar Probe Plus and Solar Orbiter missions to the near-Sun environment.

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

    DEFF Research Database (Denmark)

    Jacobsen, Finn; Molares, Alfonso Rodriguez

    2010-01-01

    . With the advent of a three-dimensional particle velocity transducer, it has become somewhat easier to measure total rather than only potential energy density in a sound field. This paper examines the ensemble statistics of kinetic and total sound energy densities in reverberant enclosures theoretically......Many acoustical measurements, e.g., measurement of sound power and transmission loss, rely on determining the total sound energy in a reverberation room. The total energy is usually approximated by measuring the mean-square pressure (i.e., the potential energy density) at a number of discrete...... positions. The idea of measuring the total energy density instead of the potential energy density on the assumption that the former quantity varies less with position than the latter goes back to the 1930s. However, the phenomenon was not analyzed until the late 1970s and then only for the region of high...

  18. Kinetic and thermodynamic properties of the aerial oxidation of hydroquinone in developer solutions

    Institute of Scientific and Technical Information of China (English)

    NASEHZADEH, Asadollah; RESA, Sayyed Hossain; KHOSRAVAN, Azita

    2000-01-01

    The aerial oxidation kinetics of hydroquinone in a freshly prepared developer solution at different temperatures and pHs has been studied. The activation parameters, Ea, △G#,△S# , △H# and enthalpy of formation of activated complex,△Hof(X# ), are determined. The large negative value of free energy of activation △G# proves that hydroquinone extremely tends to be oxidized by air at optimum temperature (20℃)and optimum pH (10.5) and converts to the activated complex semiquinone. It was also found that if the pH of the developer solution is increased from 9.3 to 10.5 the reaction rate will increase by a factor of 2.

  19. [Isoenzyme spectrum and kinetic properties of pyruvate kinase from the liver of thiamine-deficient rats].

    Science.gov (United States)

    Konovalenko, O V; Maglysh, S S; Gorbach, Z V

    1990-01-01

    Thiamine-deficiency in animals induced by everyday subcutaneous administration of oxythiamine in a dose of 4, 40 and 100 mg/kg of weight for 10 days results in a decrease of the total activity of pyruvate kinase in the liver tissue and does not affect the mentioned index in the kidney and heart tissues. It is shown that as a result of the enzyme fractionation in the column with DEAE-cellulose the total activity of pyruvate kinase in the liver tissue of rats with thiamine-deficiency decreases due to L-isoform while the content of M-isoform remains unchanged. Thiamine deficiency does not affect kinetic characteristics of the L-isoform, extracted from the liver and this shows the absence of changes in the degree of phosphorylation of pyruvate kinase L-isoform under these conditions.

  20. The impact of kinetic effects on the properties of relativistic electron-positron shocks

    CERN Document Server

    Stockem, A; Fonseca, R A; Silva, L O

    2012-01-01

    We assess the impact of non-thermally shock-accelerated particles on the magnetohydrodynamic (MHD) jump conditions of relativistic shocks. The adiabatic constant is calculated directly from first principle particle-in-cell simulation data, enabling a semi-kinetic approach to improve the standard fluid model and allowing for an identification of the key parameters that define the shock structure. We find that the evolving upstream parameters have a stronger impact than the corrections due to non-thermal particles. We find that the decrease of the upstream bulk speed yields deviations from the standard MHD model up to 10%. Furthermore, we obtain a quantitative definition of the shock transition region from our analysis. For Weibel-mediated shocks the inclusion of a magnetic field in the MHD conservation equations is addressed for the first time.

  1. Atomistic computer simulations of FePt nanoparticles. Thermodynamic and kinetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, M.

    2007-12-20

    In the present dissertation, a hierarchical multiscale approach for modeling FePt nanoparticles by atomistic computer simulations is developed. By describing the interatomic interactions on different levels of sophistication, various time and length scales can be accessed. Methods range from static quantum-mechanic total-energy calculations of small periodic systems to simulations of whole particles over an extended time by using simple lattice Hamiltonians. By employing these methods, the energetic and thermodynamic stability of non-crystalline multiply twinned FePt nanoparticles is investigated. Subsequently, the thermodynamics of the order-disorder transition in FePt nanoparticles is analyzed, including the influence of particle size, composition and modified surface energies by different chemical surroundings. In order to identify processes that reduce or enhance the rate of transformation from the disordered to the ordered state, the kinetics of the ordering transition in FePt nanoparticles is finally investigated by assessing the contributions of surface and volume diffusion. (orig.)

  2. Purification, properties, and kinetic studies of cytoplasmic malate dehydrogenase from Taenia solium cysticerci.

    Science.gov (United States)

    Plancarte, Agustín; Nava, Gabriela; Mendoza-Hernández, Guillermo

    2009-07-01

    Malate dehydrogenase (L: -malate: NAD oxidoreductase, EC 1.1.1.37) from the cytoplasm of Taenia solium cysticerci (cMDHTs) was purified 48-fold through a four-step procedure involving salt fractionation, ionic exchange, and dye affinity chromatography. cMDHTs had a native M (r) of 64,000, while the corresponding value per subunit, obtained under denaturing conditions, was 32,000. The enzyme is partially positive, with an isoelectric point of 8.7, and had a specific activity of 2,615 U mg(-1) in the reduction of oxaloacetate. The second to the 21st amino acids from cMDHTs N-terminal group were P G P L R V L I T G A A G Q I A Y N L S. This sequence is 100% identical to that of Echinococcus granulosus. Basic kinetic parameters were determined for this enzyme. The optimum pH for enzyme reaction was at 7.6 for oxaloacetate reduction and at 9.6 for malate oxidation. K (m) values for oxaloacetate, malate, NAD, and NADH were 2.4, 215, 50, and 48 microM, respectively. V (max) values for the substrates and cosubstrates as described above were 1,490, 87.8, 104, and 1,714 micromol min(-1) mg(-1). Several NAD analogs, structurally altered in either the pyridine or purine moiety, were observed to function as coenzymes in the reaction catalyzed by the purified malate dehydrogenase. cMDHTs activity was uncompetitive inhibited by arsenate for both the forward (Ki = 8.2 mM) and reverse (Ki = 77 mM) reactions. The mechanism of the cMDHTs reactivity was investigated kinetically by the product inhibition approach. The results of this study are qualitatively consistent with an Ordered Bi Bi reaction mechanism, in which only the coenzymes can react with the free enzyme.

  3. Luminescence properties and decay kinetics of nano ZnO powder doped with cerium ions

    Energy Technology Data Exchange (ETDEWEB)

    Panda, Nihar Ranjan, E-mail: nihar@iitbbs.ac.in [Indian Institute of Technology Bhubaneswar, Bhubaneswar 751013, Orissa (India); Acharya, B.S., E-mail: bsacharya1950@gmail.com [Department of Physics, C.V. Raman College of Engineering, Bhubaneswar 752054, Orissa (India); Singh, Th. Basanta [Luminescence Dating Laboratory, Manipur University, Imphal 795003 (India); Gartia, R.K. [Department of Physics, Manipur University, Imphal 795003 (India)

    2013-04-15

    ZnO nanopowders doped with cerium ions (1.2 and 1.5 at. wt.%) were synthesized through soft solution route using ultrasound. Sonication has been found to be an effective way for doping rare earth ions like cerium into ZnO. This was confirmed from energy dispersive analysis of X-rays (EDAX) measurement. Further, optical absorption and photoluminescence (PL) measurements corroborate this finding. X-ray diffraction (XRD) studies show the increase of crystallite size and unit cell volume with doping of cerium ions. Formation of fibrous structure of ZnO:Ce was observed from the transmission electron microscopy (TEM) measurements. Although the structural measurements indicate Ce{sup 4+} ion occupying substitutional site in ZnO, PL and absorption studies confirmed the presence of Ce{sup 3+} ion in the powder. The coexistence of Ce{sup 3+} and Ce{sup 4+} ions has been explained on the basis of conversion of Ce{sup 3+} to Ce{sup 4+} in the oxidizing environment. Thermoluminescence (TL) and photo-stimulated decay of luminescence (PSDL) decay studies give an idea of various trapping levels present in the band gap of ZnO. These traps release electrons during optical stimulation to give bimolecular kinetics in nano ZnO:Ce powders. -- Highlights: ► Sonication: an effective way of incorporation of cerium ions into ZnO. ► Site dependent characteristic emission of cerium. ► Energy transfer from host lattice to cerium ions. ► Mono and bimolecular kinetics of ZnO:Ce.

  4. Molecular and kinetic properties of sperm specific LDH after radiation inactivation.

    Science.gov (United States)

    Gupta, G S; Kang, B P

    2000-03-01

    Radiation inactivation of sperm specific lactate dehydrogenase-C4 (LDH-C4) has been studied and compared with the somatic LDH in aqueous solution. D37 of C isozyme was 470 Gy and that of B isozyme was 520 Gy. Semi-log plots of log N/No versus dose suggested that the inactivation of two LDH isozymes in presence of normal saline follows a single hit kinetics. Target molecular weight calculated by radiation analysis was found as 1.52 x 10(5) gm/mole for LDH-C4 and 1.38 x 10(5) gm/mole for LDH-B4. SDS-PAGE of irradiated enzymes showed a band of 35 kDa but did not indicate the presence of any other extra band, when compared with sham-irradiated enzymes. Chemical kinetics of residual activity following irradiation at D37 showed decrease in Vmax with coenzymes and primary substrates. However, decrease in Km was seen with pyruvate as increasing substrate. Nevertheless, K did not change when NAD+ was the leading substrate for LDH-B4 or LDH-C4. A hyperchromicity in intrinsic fluorescence and a blue shift in lambdamax over sham-irradiated LDH-C4 revealed the exposure of buried tryptophan residues to the surface after radiation inactivation. Results suggest that inspite of presence of variant amino acids, the conformations of two isozymes are stabilized by similar forces which behave in a similar way for radiation inactivation in aqueous phase.

  5. Experimental Study of Kinetic Properties of Pyrolysis for Conveyor Belt in Coal Mine

    Institute of Scientific and Technical Information of China (English)

    SONG Zheng-chang

    2005-01-01

    The combustion of conveyor belt is a leading factor of mine fire. In this paper, the pyrolysis properties of ordinary conveyor belt and fire-resistant belt were studied experimentally with thermo-gravimetric analysis and derivative thermo-gravimetric analysis, and the curves of pyrolysis properties were achieved. On this basis, the activation energy and reaction order of pyrolysis were obtained in combination with theoretical analysis, aiming to provide data for further numerical simulation and simulating experiment of mine fire.

  6. Understanding the mechanical properties of DNA origami tiles and controlling the kinetics of their folding and unfolding reconfiguration.

    Science.gov (United States)

    Chen, Haorong; Weng, Te-Wei; Riccitelli, Molly M; Cui, Yi; Irudayaraj, Joseph; Choi, Jong Hyun

    2014-05-14

    DNA origami represents a class of highly programmable macromolecules that can go through conformational changes in response to external signals. Here we show that a two-dimensional origami rectangle can be effectively folded into a short, cylindrical tube by connecting the two opposite edges through the hybridization of linker strands and that this process can be efficiently reversed via toehold-mediated strand displacement. The reconfiguration kinetics was experimentally studied as a function of incubation temperature, initial origami concentration, missing staples, and origami geometry. A kinetic model was developed by introducing the j factor to describe the reaction rates in the cyclization process. We found that the cyclization efficiency (j factor) increases sharply with temperature and depends strongly on the structural flexibility and geometry. A simple mechanical model was used to correlate the observed cyclization efficiency with origami structure details. The mechanical analysis suggests two sources of the energy barrier for DNA origami folding: overcoming global twisting and bending the structure into a circular conformation. It also provides the first semiquantitative estimation of the rigidity of DNA interhelix crossovers, an essential element in structural DNA nanotechnology. This work demonstrates efficient DNA origami reconfiguration, advances our understanding of the dynamics and mechanical properties of self-assembled DNA structures, and should be valuable to the field of DNA nanotechnology.

  7. Evaluation of the performance of MP4-based procedures for a wide range of thermochemical and kinetic properties

    Science.gov (United States)

    Yu, Li-Juan; Wan, Wenchao; Karton, Amir

    2016-11-01

    We evaluate the performance of standard and modified MPn procedures for a wide set of thermochemical and kinetic properties, including atomization energies, structural isomerization energies, conformational energies, and reaction barrier heights. The reference data are obtained at the CCSD(T)/CBS level by means of the Wn thermochemical protocols. We find that none of the MPn-based procedures show acceptable performance for the challenging W4-11 and BH76 databases. For the other thermochemical/kinetic databases, the MP2.5 and MP3.5 procedures provide the most attractive accuracy-to-computational cost ratios. The MP2.5 procedure results in a weighted-total-root-mean-square deviation (WTRMSD) of 3.4 kJ/mol, whilst the computationally more expensive MP3.5 procedure results in a WTRMSD of 1.9 kJ/mol (the same WTRMSD obtained for the CCSD(T) method in conjunction with a triple-zeta basis set). We also assess the performance of the computationally economical CCSD(T)/CBS(MP2) method, which provides the best overall performance for all the considered databases, including W4-11 and BH76.

  8. Influence of fat replacement by inulin on rheological properties, kinetics of rennet milk coagulation, and syneresis of milk gels.

    Science.gov (United States)

    Arango, O; Trujillo, A J; Castillo, M

    2013-04-01

    The objective of this study was to evaluate the effect of inulin as a fat replacer on the rheological properties, coagulation kinetics, and syneresis of milk gels. A randomized factorial design, replicated 3 times, with 3 inulin concentrations (0, 3, and 6%), 2 levels of fat (gels. The observed effect, which was more evident on the aggregation reaction, depended on the concentration of inulin and the coagulation temperature. Addition of 6% inulin reduced the clotting time by approximately 26% and the time at which the gel reached a storage modulus equal to 30 Pa by approximately 36%. The optical parameter R'max, defined as the maximum value of change in light backscatter profile/change in time (where R' = dR/dt), was used to calculate an approximation of the temperature coefficients (Q10) for milk coagulation. Increasing fat concentration induced a consistent increase in all the optical, rheological, and visual parameters studied, although the observed trend was not statistically significant. The addition of inulin at a level of 6% produced a reduction in syneresis and increased the curd yield by approximately 30%. It was concluded that the addition of inulin affects the kinetics of milk coagulation and the cutting time and, therefore, the use of inline sensors such as near-infrared spectrometry may be necessary for optimal process control.

  9. The mathematical properties of the quasi-chemical model for microorganism growth-death kinetics in foods.

    Science.gov (United States)

    Ross, E W; Taub, I A; Doona, C J; Feeherry, F E; Kustin, K

    2005-03-15

    Knowledge of the mathematical properties of the quasi-chemical model [Taub, Feeherry, Ross, Kustin, Doona, 2003. A quasi-chemical kinetics model for the growth and death of Staphylococcus aureus in intermediate moisture bread. J. Food Sci. 68 (8), 2530-2537], which is used to characterize and predict microbial growth-death kinetics in foods, is important for its applications in predictive microbiology. The model consists of a system of four ordinary differential equations (ODEs), which govern the temporal dependence of the bacterial life cycle (the lag, exponential growth, stationary, and death phases, respectively). The ODE system derives from a hypothetical four-step reaction scheme that postulates the activity of a critical intermediate as an antagonist to growth (perhaps through a quorum sensing biomechanism). The general behavior of the solutions to the ODEs is illustrated by several examples. In instances when explicit mathematical solutions to these ODEs are not obtainable, mathematical approximations are used to find solutions that are helpful in evaluating growth in the early stages and again near the end of the process. Useful solutions for the ODE system are also obtained in the case where the rate of antagonist formation is small. The examples and the approximate solutions provide guidance in the parameter estimation that must be done when fitting the model to data. The general behavior of the solutions is illustrated by examples, and the MATLAB programs with worked examples are included in the appendices for use by predictive microbiologists for data collected independently.

  10. Kinetic inhibition of natural gas hydrates in offshore drilling, production, and processing operations. Annual report, January 1--December 31, 1992

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1992-12-31

    Natural gas hydrates are solid crystalline compounds which form when molecules smaller than n-butane contact molecules of water at elevated pressures and reduced temperatures, both above and below the ice point. Because these crystalline compounds plug flow channels, they are undesirable. In this project the authors proposed an alternate approach of controlling hydrate formation by preventing hydrate growth into a sizeable mass which could block a flow channel. The authors call this new technique kinetic inhibition, because while it allows the system to exist in the hydrate domain, it prevents the kinetic agglomeration of small hydrate crystals to the point of pluggage of a flow channel. In order to investigate the kinetic means of inhibiting hydrate formation, they held two consortium meetings, on June 1, 1990 and on August 31, 1990. At subsequent meetings, the authors determined the following four stages of the project, necessary to reach the goal of determining a new hydrate field inhibitor: (1) a rapid screening method was to be determined for testing the hydrate kinetic formation period of many surfactants and polymer candidates (both individually and combined), the present report presents the success of two screening apparatuses: a multi-reactor apparatus which is capable of rapid, high volume screening, and the backup screening method--a viscometer for testing with gas at high pressure; (2) the construction of two high, constant pressure cells were to experimentally confirm the success of the chemicals in the rapid screening apparatus; (3) in the third phase of the work, Exxon volunteered to evaluate the performance of the best chemicals from the previous two stages in their 4 inch I.D. Multiphase flow loop in Houston; (4) in the final phase of the work, the intention was to take the successful kinetic inhibition chemicals from the previous three stages and then test them in the field in gathering lines and wells from member companies.

  11. Isothiocyanates from cruciferous vegetables: kinetics, biomarkers and effects

    NARCIS (Netherlands)

    Vermeulen, M.

    2009-01-01

    Cruciferous vegetables like cabbages, broccoli, mustard and cress, have been reported to be beneficial for human health. They contain glucosinolates, which are hydrolysed into isothiocyanates that have shown anticarcinogenic properties in animal experiments. To study the bioavailability, kinetics

  12. Effect of the Hamiltonian parameters on the hysteresis properties of the kinetic mixed spin (1/2, 1) Ising ferrimagnetic model on a hexagonal lattice

    Energy Technology Data Exchange (ETDEWEB)

    Batı, Mehmet, E-mail: mehmet.bati@erdogan.edu.tr [Department of Physics, Recep Tayyip Erdoğan University, 53100 Rize (Turkey); Ertaş, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2017-05-15

    The hysteresis properties of a kinetic mixed spin (1/2, 1) Ising ferrimagnetic system on a hexagonal lattice are studied by means of the dynamic mean field theory. In the present study, the effects of the nearest-neighbor interaction, temperature, frequency of oscillating magnetic field and the exchange anisotropy on the hysteresis properties of the kinetic system are discussed in detail. A number of interesting phenomena such as the shape of hysteresis loops with one, two, three and inverted-hysteresis/proteresis (butterfly shape hysteresis) have been obtained. Finally, the obtained results are compared with some experimental and theoretical results and a qualitatively good agreement is found.

  13. In situ electrochemical investigations of the kinetic and thermodynamic properties of nickel-metal hydride traction batteries

    Science.gov (United States)

    Yang, Xiao Guang; Liaw, Bor Yann

    Although large ampere hour nickel-metal hydride (Ni-MH) traction batteries are in the stage of being commercialized for electric and hybrid vehicle applications, little is known about their performance characteristics. By using a standard Hg/HgO reference electrode in a commercial Ni-MH battery, we were able to conduct in situ measurements to determine both kinetic and thermodynamic properties of the system, including the characteristics of individual electrodes. Using the galvanostatic intermittent titration technique (GITT), we simultaneously and effectively determined the open-circuit voltage of the battery, the equilibrium electrode potentials, and the diffusion coefficient of proton and hydrogen in the nickel and metal hydride electrode, respectively, as a function of the states of charge (SOC). Using the current-step excitation technique, we found that the internal resistance of the battery primarily comes from the metal hydride electrode, which is greater by one order of magnitude than that of the Ni electrode. The cyclic linear micro-polarization experiments, on the other hand, showed that the charge-transfer resistance of the electrochemical reaction at the metal hydride electrode is about twice larger than that of the Ni counterpart above 20% SOC. In comparison, the internal resistance is an order of magnitude smaller than those of the electrochemical charge-transfer reactions. The micro-polarization technique also allowed us to calculate the exchange current densities of the respective electrode electrochemical reactions and the associated specific exchange current densities. These in situ, simple but detailed, characterizations of the thermodynamic and kinetic properties of the Ni-MH system provided valuable information for better understanding of the battery performance.

  14. Specific catalysis of asparaginyl deamidation by carboxylic acids: kinetic, thermodynamic, and quantitative structure-property relationship analyses.

    Science.gov (United States)

    Connolly, Brian D; Tran, Benjamin; Moore, Jamie M R; Sharma, Vikas K; Kosky, Andrew

    2014-04-07

    Asparaginyl (Asn) deamidation could lead to altered potency, safety, and/or pharmacokinetics of therapeutic protein drugs. In this study, we investigated the effects of several different carboxylic acids on Asn deamidation rates using an IgG1 monoclonal antibody (mAb1*) and a model hexapeptide (peptide1) with the sequence YGKNGG. Thermodynamic analyses of the kinetics data revealed that higher deamidation rates are associated with predominantly more negative ΔS and, to a lesser extent, more positive ΔH. The observed differences in deamidation rates were attributed to the unique ability of each type of carboxylic acid to stabilize the energetically unfavorable transition-state conformations required for imide formation. Quantitative structure property relationship (QSPR) analysis using kinetic data demonstrated that molecular descriptors encoding for the geometric spatial distribution of atomic properties on various carboxylic acids are effective determinants for the deamidation reaction. Specifically, the number of O-O and O-H atom pairs on carboxyl and hydroxyl groups with interatomic distances of 4-5 Å on a carboxylic acid buffer appears to determine the rate of deamidation. Collectively, the results from structural and thermodynamic analyses indicate that carboxylic acids presumably form multiple hydrogen bonds and charge-charge interactions with the relevant deamidation site and provide alignment between the reactive atoms on the side chain and backbone. We propose that carboxylic acids catalyze deamidation by stabilizing a specific, energetically unfavorable transition-state conformation of l-asparaginyl intermediate II that readily facilitates bond formation between the γ-carbonyl carbon and the deprotonated backbone nitrogen for cyclic imide formation.

  15. State-to-state kinetics and transport properties of electronically excited N and O atoms

    Science.gov (United States)

    Istomin, V. A.; Kustova, E. V.

    2016-11-01

    A theoretical model of transport properties in electronically excited atomic gases in the state-to-state approach is developed. Different models for the collision diameters of atoms in excited states are discussed, and it is shown that the Slater-like models can be applied for the state-resolved transport coefficient calculations. The influence of collision diameters of N and O atoms with electronic degrees of freedom on the transport properties is evaluated. Different distributions on the electronic energy are considered for the calculation of transport coefficients. For the Boltzmann-like distributions at temperatures greater than 15000 K, an important effect of electronic excitation on the thermal conductivity and viscosity coefficients is found; the coefficients decrease significantly when many electronic states are taken into account. It is shown that under hypersonic reentry conditions the impact of collision diameters on the transport properties is not really important since the populations of high levels behind the shock waves are low.

  16. Intrinsic thermodynamic and kinetic properties of Sb electrodes for Li-ion and Na-ion batteries: Experiment and Theory

    Energy Technology Data Exchange (ETDEWEB)

    Baggetto, Loic [ORNL; Ganesh, Panchapakesan [ORNL; Sun, Che Nan [ORNL; Meisner, Roberta Ann [ORNL; Zawodzinski, Thomas A [ORNL; Veith, Gabriel M [ORNL

    2013-01-01

    A detailed comparative study between electrochemical lithiation and sodiation of pure antimony (Sb), relating changes in structural, thermodynamic, kinetic and electrochemical properties has been carried out. For this purpose, a wide range of measurements using electrochemical (galvanostatic cycling, GITT, PITT), x-ray diffraction (XRD) and x-ray photoelectron spectroscopy (XPS) methods as well as density functional theory (DFT) based investigations have been undertaken. Assessment of the thermodynamics reveals that the reaction proceeds identically during the first and second cycles for Li whereas it differs between the first and subsequent cycles for Na. For Li the difference between the first and subsequent cycles is rooted in an improvement of the kinetics likely due to the decrease of Sb particle size whereas the reaction with Na proceeds through a different pathway from the first to subsequent cycles and is associated with the formation of amorphous NaxSb phases. For the first time we rationalize the amorphization of NaxSb phases by the long ranged strain propagation due to Na-vacancy compared to Li-Sb. At full discharge, our XRD results show for the first time that a minor fraction of hexagonal Li3Sb forms concomitantly with cubic Li3Sb. The XRD results confirm that Sb crystallizes into hexagonal Na3Sb at full sodiation. The kinetics of the reaction is assessed by rate performance tests which highlight that both Li and Na can diffuse rapidly throughout micron thick films at room temperature. However, it is found that the (de)insertion of Li provides lower overpotentials and larger storage capacities compared to Na. The difference in rate performance is complemented by diffusion coefficient determinations near the 0 V region where both materials are crystallized into M3Sb (M=Li, Na), and the results show that the apparent diffusion coefficients for Li are equivalent or one order of magnitude higher than those for Na. Interestingly, calculations show that the

  17. Isolation of kinetic and spatial properties of uni-axial dynamic tensile loading of OFHC copper

    Directory of Open Access Journals (Sweden)

    Mourad H.

    2012-08-01

    Full Text Available Materials performance is recognized as being central to many emergent technologies. Future technologies will place increasing demands on materials performance with respect to extremes in stress, strain, temperature, and pressure. In this study, the dynamic ductile damage evolution of OFHC Cu is explored as a test bed to understand the role of spatial effects due to loading profile and defect density as well as the role of the kinetics of tensile pulse evolution. Well-characterized OFHC Cu samples of 30 μm, 60 μm, 100 μm, and 200 μm grain sizes were subjected to plate impact uniaxial strain loading in spall geometry to produce early stage (incipient damage. Using 2D metallographic techniques, soft recovered samples were studied to statistically link mesoscale processes to continuum level observations of free surface particle velocity measured with VISAR. Based on these findings, mechanisms for the void nucleation/growth and coalescence are proposed.

  18. Role of kinetic inductance in transport properties of shunted superconducting nanowires.

    Science.gov (United States)

    Lin, Shi-Zeng; Roy, Dibyendu

    2013-08-14

    Recently, transport measurements have been carried out in resistively shunted long superconducting nanowires (Brenner et al 2012 Phys. Rev. B 85 224507). The measured voltage-current (V-I) characteristics were explained by the appearance of the phase slip centers in the shunted wire, and the whole wire was modeled as a single Josephson junction. The kinetic inductance of the long nanowires used in experiments is generally large. Here we argue that the shunted superconducting nanowire acts as a Josephson junction in series with an inductor. The inductance depends on the length and the cross section of the wire. The inclusion of inductance in our analysis modifies the V-I curves, and increases the rate of switching from the superconducting state to the resistive state. The quantitative differences can be quite large in some practical parameter sets, and might be important to properly understand the experimental results. Our proposed model can be verified experimentally by studying the shunted superconducting nanowires of different lengths and cross sections.

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

    Science.gov (United States)

    Jacobsen, Finn; Molares, Alfonso Rodríguez

    2010-04-01

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

  20. Electrodynamic balance measurements of thermodynamic, kinetic, and optical aerosol properties inaccessible to bulk methods

    Directory of Open Access Journals (Sweden)

    S. S. Steimer

    2015-06-01

    Full Text Available Measurements of a single, levitated particle in an electrodynamic balance are an established tool for deriving thermodynamic and material data such as density, refractive index and activities of components of an aqueous solution under supersaturated conditions, where bulk measurements are not possible. The retrieval relies on combining mass-to-charge data and size data from light scattering. Here, we use a combination of low- and high-resolution Mie resonance spectroscopy to obtain radius data, enabling an accurate size determination not only when the particle is in equilibrium, but also when it is out of equilibrium due to kinetic limitation of mass transport. With the data measured under non-equilibrium conditions, it is possible to retrieve the water diffusivity. A challenge is that the radius retrieval by comparing measured light scattering with Mie theory requires the knowledge of refractive index as a function of concentration. Here, we show an iterative retrieval of refractive index and size for compounds for which data cannot be obtained in the bulk either due to lack of sufficient amounts of sample or limited solubility. We demonstrate the measurement strategy and the retrieval of water activity, density, refractive index and water diffusivity for aqueous shikimic acid. Water diffusivity in concentrated shikimic acid decreases by 6 orders of magnitude at 250 K compared to that at room temperature.

  1. Electrodynamic balance measurements of thermodynamic, kinetic, and optical aerosol properties inaccessible to bulk methods

    Directory of Open Access Journals (Sweden)

    S. S. Steimer

    2015-01-01

    Full Text Available Measurements of a single, levitated particle in an electrodynamic balance are an established tool for deriving thermodynamic and material data such as density, refractive index and activities of components of an aqueous solution under supersaturated conditions, where bulk measurements are not possible. The retrieval relies on combining mass-to-charge data and size data from light scattering. Here, we use a combination of low- and high-resolution Mie resonance spectroscopy to obtain radius data, enabling an accurate size determination not only when the particle is in equilibrium, but also when it is out of equilibrium due to kinetic limitation of mass transport. With the data measured under non-equilibrium conditions, it is possible to retrieve the water diffusivity. A challenge is that the radius retrieval by comparing measured light scattering with Mie theory requires the knowledge of refractive index as a function of concentration. Here, we show an iterative retrieval of refractive index and size for compounds for which data cannot be obtained in the bulk either due to lack of sufficient amounts of sample or limited solubility. We demonstrate the measurement strategy and the retrieval of water activity, density, refractive index and water diffusivity for aqueous shikimic acid. Water diffusivity in concentrated shikimic acid decreases by 6 orders of magnitude at 250 K compared to that at room temperature.

  2. Kinetic properties of a single nucleotide binding site on chloroplast coupling factor 1 (CF1).

    Science.gov (United States)

    Günther, S; Huchzermeyer, B

    1998-12-01

    The kinetics of nucleotide binding to spinach chloroplast coupling factor CF1 in a fully inhibited state were investigated by stopped-flow experiments using the fluorescent trinitrophenyl analogue (NO2)3Ph-ADP. The CF1 was in a state in which two of the three binding sites on the beta subunits were irreversibly blocked with ADP, Mg2+ and fluoroaluminate, while the three binding sites on the alpha subunits were occupied by nucleotides [Garin, J., Vincon, M., Gagnon, J. & Vignais, P. V. (1994) Biochemistry 33, 3772-3777)]. Thus, it was possible to characterise a single nucleotide-binding site without superimposed nucleotide exchange or binding to an additional site. (NO2)3Ph-ADP binding to the remaining site on the third beta subunit was characterised by a high dissociation rate of 15 s(-1), leading to a very low affinity (dissociation constant higher than 150 microM). Subsequent to isolation, CF1 preparations contained two endogenously bound nucleotides. Pre-loading with ATP yielded CF1 with five tightly bound nucleotides and one free nucleotide-binding site on a beta subunit. Pre-loading with ADP, however, resulted in a CF1 preparation containing four tightly bound nucleotides and two free nucleotide binding sites. One of the two free binding sites was located on a beta subunit, while the other was probably located on an alpha subunit.

  3. Influence of supplementary cementitious materials on water transport kinetics and mechanical properties of hydrated lime and cement mortars

    Directory of Open Access Journals (Sweden)

    Ince, C.

    2015-06-01

    Full Text Available The purpose of this paper is an investigation of the possible role of supplementary cementitious materials (SCMs on water transport kinetics and mechanical properties of hydrated lime (CL90 and Portland cement (PC mortars. The properties of hydrated lime are significantly different from those of cement and therefore modifying fresh and hardened properties of these mortars are vital for mortar/substrate optimisation in masonry construction. The parameters investigated in this paper often are the main barriers to the use of hydrated lime in construction practice. The results show that transfer sorptivity and time to dewater freshly-mixed hydrated lime mortars can be modified when binder is partially replaced with SCMs. Compressive strength of CL90 mortars is increased systematically with the increased replacement levels of SCMs and the results are supported with the microstructural images. The ability to modify the water transport kinetics and mechanical properties allows compatibility between the mortar and the substrate unit in masonry construction.El objetivo de este artículo es investigar el papel de los materiales cementantes suplementarios (SCMs en la cinética de transporte del agua y en las propiedades mecánicas de los morteros de cal hidratada (CL90 y cemento Portland. Las propiedades de la cal hidratada son significativamente diferentes a las del cemento y por lo tanto el control de las propiedades de los morteros frescos y endurecidos es fundamental en la optimización mortero/substrato en albañilería. Los parámetros estudiados en este trabajo son a menudo las principales barreras para el uso de la cal hidratada en la práctica de la construcción. Los resultados indican que la absortividad y el tiempo necesario para deshidratar morteros de cal hidratada recién mezclados pueden ser controlados cuando el conglomerante es parcialmente remplazado por SCMs. La resistencia a compresión de los morteros CL90 aumenta sistem

  4. 76 FR 11985 - Defense Federal Acquisition Regulation Supplement; Reporting of Government-Furnished Property

    Science.gov (United States)

    2011-03-04

    ... Acquisition Regulation Supplement; Reporting of Government-Furnished Property AGENCY: Defense Acquisition... expand reporting requirements for Government-furnished property to include items uniquely and non...

  5. Kinetic Roughening and Material Optical Properties Influence on Van der Waals/Casimir Forces

    NARCIS (Netherlands)

    van Zwol, P. J.; Palasantzas, G.

    Atomic force microscopy measurements and force theory calculations using the Lifshitz theory show that van der Waals/Casimir dispersive forces have a strong dependence on surface roughness and material optical properties. It is found that at separations below 100 nm the roughness effect is

  6. Environmental Reporting and Disclosure Practices - In Malaysian Property Industry

    OpenAIRE

    Natthondan, Shankari

    2009-01-01

    This research examined and analyzed the extent of environmental reporting and disclosure practices of the Kuala Lumpur Composite Index Companies (KLCI) as listed on the Bursa Malaysia on 21 January 2008. In particular the property industry companies were identified as a high profile sector as it is more sensitively exposed to environmental activities. The degree of reporting on environmental matters by this category of listed companies is indicative of the trend of the overall compliance and ...

  7. The Thermodynamic and Kinetic Properties of 2-Hydroxypyridine/2-Pyridone Tautomerization: A Theoretical and Computational Revisit

    Directory of Open Access Journals (Sweden)

    Safiyah A. Hejazi

    2016-11-01

    Full Text Available The gas-phase thermal tautomerization reaction between 2-hydroxypyridine (2-HPY and 2-pyridone (2-PY was investigated by applying 6-311++G** and aug-cc-pvdz basis sets incorporated into some density functional theory (DFT and coupled cluster with singles and doubles (CCSD methods. The geometrical structures, dipole moments, HOMO-LUMO energy gaps, total hyperpolarizability, kinetics and thermodynamics functions were monitored against the effects of the corrections imposed on these functionals. The small experimental energy difference between the two tautomers of 3.23 kJ/mol; was a real test of the accuracy of the applied levels of theory. M062X and CCSD methods predicted the preference of 2-HPY over 2-PY by 5–9 kJ/mol; while B3LYP functional favoured 2-PY by 1–3 kJ/mol. The CAM-B3LYP and ωB97XD functionals yielded mixed results depending on the basis set used. The source of preference of 2-HPY is the minimal steric hindrance and electrostatic repulsion that subdued the huge hyperconjugation in 2-PY. A 1,3-proton shift intramolecular gas-phase tautomerization yielded a high average activation of 137.152 kJ/mol; while the intermolecular mixed dimer interconversion gave an average barrier height of 30.844 kJ/mol. These findings are boosted by a natural bond orbital (NBO technique. The low total hyperpolarizabilities of both tautomers mark out their poor nonlinear optical (NLO behaviour. The enhancement of the total hyperpolarizability of 2-HPY over that of 2-PY is interpreted by the bond length alternation.

  8. The Thermodynamic and Kinetic Properties of 2-Hydroxypyridine/2-Pyridone Tautomerization: A Theoretical and Computational Revisit.

    Science.gov (United States)

    Hejazi, Safiyah A; Osman, Osman I; Alyoubi, Abdulrahman O; Aziz, Saadullah G; Hilal, Rifaat H

    2016-11-14

    The gas-phase thermal tautomerization reaction between 2-hydroxypyridine (2-HPY) and 2-pyridone (2-PY) was investigated by applying 6-311++G** and aug-cc-pvdz basis sets incorporated into some density functional theory (DFT) and coupled cluster with singles and doubles (CCSD) methods. The geometrical structures, dipole moments, HOMO-LUMO energy gaps, total hyperpolarizability, kinetics and thermodynamics functions were monitored against the effects of the corrections imposed on these functionals. The small experimental energy difference between the two tautomers of 3.23 kJ/mol; was a real test of the accuracy of the applied levels of theory. M062X and CCSD methods predicted the preference of 2-HPY over 2-PY by 5-9 kJ/mol; while B3LYP functional favoured 2-PY by 1-3 kJ/mol. The CAM-B3LYP and ωB97XD functionals yielded mixed results depending on the basis set used. The source of preference of 2-HPY is the minimal steric hindrance and electrostatic repulsion that subdued the huge hyperconjugation in 2-PY. A 1,3-proton shift intramolecular gas-phase tautomerization yielded a high average activation of 137.152 kJ/mol; while the intermolecular mixed dimer interconversion gave an average barrier height of 30.844 kJ/mol. These findings are boosted by a natural bond orbital (NBO) technique. The low total hyperpolarizabilities of both tautomers mark out their poor nonlinear optical (NLO) behaviour. The enhancement of the total hyperpolarizability of 2-HPY over that of 2-PY is interpreted by the bond length alternation.

  9. Thermodynamic properties, decomposition kinetics and reaction models of BCHMX and its Formex bonded explosive

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Qi-Long, E-mail: terry.well@163.com [Institute of Energetic Materials, Faculty of Chemical technology, University of Pardubice, 532 10 Pardubice (Czech Republic); Zeman, Svatopluk, E-mail: svatopluk.zeman@upce.cz [Institute of Energetic Materials, Faculty of Chemical technology, University of Pardubice, 532 10 Pardubice (Czech Republic); Svoboda, Roman [Department of Physical Chemistry, Faculty of Chemical technology, University of Pardubice, 532 10 Pardubice (Czech Republic); Elbeih, Ahmed [Military Technical College, Cairo (Egypt)

    2012-11-10

    As an attractive new energetic material, cis-1,3,4,6-tetranitrooctahydroimidazo-[4,5-d]imidazole (BCHMX) and its polymer bonded explosive (PBX) with styrene-butadiene rubber (SBR) binder (Formex type) have been investigated with regard to its thermal decomposition kinetics and reaction models by using DSC, TG and SEM techniques. It was found that the decomposition of BCHMX in dynamic nitrogen could be divided into two steps, while there is only one step for its Formex bonded explosive. The activation energy for decomposition of BCHMX/Formex was obtained to be 221.7 {+-} 4.99 kJ mol{sup -1} by modified KAS method, while the mean activation energies for pure BCHMX are calculated as 233.0 {+-} 2.1 kJ mol{sup -1} for first step and 186.0 {+-} 0.92 kJ mol{sup -1} for the second step. It was further proved that the first decomposition step of BCHMX is autocatalytic, during which the crystal of BCHMX could dissolve in the liquid phase of its thermolysis products on the surface. Besides, the JMA and AC models were found to be appropriate to interpret the two-step decomposition of pure BCHMX and JMA model for BCHMX/Formex, the parameterized reaction models for BCHMX could be established as f({alpha}) = {alpha}{sup 0.45}(1 - {alpha}){sup 1.51} and f({alpha}) = 2.33 Multiplication-Sign (1 - {alpha})[-ln(1 - {alpha})]{sup 0.57}, while for BCHMX/Formex as f({alpha}) = 2 Multiplication-Sign (1 - {alpha})[-ln(1 - {alpha})]{sup 1/2}.

  10. Adsorption properties of tetracycline onto graphene oxide: equilibrium, kinetic and thermodynamic studies.

    Directory of Open Access Journals (Sweden)

    Ehsan Ezzatpour Ghadim

    Full Text Available Graphene oxide (GO nanoparticle is a high potential effective absorbent. Tetracycline (TC is a broad-spectrum antibiotic produced, indicated for use against many bacterial infections. In the present research, a systematic study of the adsorption and release process of tetracycline on GO was performed by varying pH, sorption time and temperature. The results of our studies showed that tetracycline strongly loads on the GO surface via π-π interaction and cation-π bonding. Investigation of TC adsorption kinetics showed that the equilibrium was reached within 15 min following the pseudo-second-order model with observed rate constants of k2 = 0.2742-0.5362 g/mg min (at different temperatures. The sorption data has interpreted by the Langmuir model with the maximum adsorption of 323 mg/g (298 K. The mean energy of adsorption was determined 1.83 kJ/mol (298 K based on the Dubinin-Radushkevich (D-R adsorption isotherm. Moreover, the thermodynamic parameters such as ΔH°, ΔS° and ΔG° values for the adsorption were estimated which indicated the endothermic and spontaneous nature of the sorption process. The electrochemistry approved an ideal reaction for the adsorption under electrodic process. Simulation of GO and TC was done by LAMMPS. Force studies in z direction showed that tetracycline comes close to GO sheet by C8 direction. Then it goes far and turns and again comes close from amine group to the GO sheet.

  11. Diesel Surrogate Fuels for Engine Testing and Chemical-Kinetic Modeling: Compositions and Properties

    Science.gov (United States)

    Mueller, Charles J.; Cannella, William J.; Bays, J. Timothy; Bruno, Thomas J.; DeFabio, Kathy; Dettman, Heather D.; Gieleciak, Rafal M.; Huber, Marcia L.; Kweon, Chol-Bum; McConnell, Steven S.; Pitz, William J.; Ratcliff, Matthew A.

    2016-01-01

    The primary objectives of this work were to formulate, blend, and characterize a set of four ultralow-sulfur diesel surrogate fuels in quantities sufficient to enable their study in single-cylinder-engine and combustion-vessel experiments. The surrogate fuels feature increasing levels of compositional accuracy (i.e., increasing exactness in matching hydrocarbon structural characteristics) relative to the single target diesel fuel upon which the surrogate fuels are based. This approach was taken to assist in determining the minimum level of surrogate-fuel compositional accuracy that is required to adequately emulate the performance characteristics of the target fuel under different combustion modes. For each of the four surrogate fuels, an approximately 30 L batch was blended, and a number of the physical and chemical properties were measured. This work documents the surrogate-fuel creation process and the results of the property measurements. PMID:27330248

  12. Effect of superplasticizers on the hydration kinetic and mechanical properties of Portland cement pastes

    Directory of Open Access Journals (Sweden)

    Safaa M.A. El-Gamal

    2012-04-01

    Full Text Available Hydration of ordinary Portland cement in the presence of two different types of superplasticizers namely sodium lignosulfonate (LS and naphthalene sulfonate-formaldehyde condensate (NSF was studied using different experimental techniques. Superplasticized ordinary Portland cement pastes were prepared using the values of standard water of consistency with different additions of each type of superplasticizers used. Pastes were hydrated for different time intervals under normal curing conditions. The results reveal that both superplasticizers increase the workability and reduce the standard water of consistency. This results in an improvement in the mechanical properties of superplasticized cement pastes at all ages of the hydration–hardening process. Naphthalene sulfonate-formaldehyde condensate was found to have the higher efficiency in improving the mechanical properties of the hardened pastes than that of sodium lignosulfonate superplasticizer.

  13. Hydration kinetics and physical properties of split chickpea as affected by soaking temperature and time.

    Science.gov (United States)

    Johnny, Saeed; Razavi, Seyed M A; Khodaei, Diako

    2015-12-01

    In this study, some physical properties (principal dimensions, mean diameters, sphericity, area, density and electrical conductivity) of split chickpea were measured as function of soaking time (up to 360 min) and temperature (25-65 °C). Initially, the water absorption rate was high and then it showed a progressive decrease at all temperatures, whereas solid loss exhibited a power function of temperature (P chickpea soaking. No significant difference (P chickpea at temperature of 25 °C. As temperature increased from 25 to 65 °C, the K1 value decreased from 0.04620 to 0.00945 g h(-1), whereas the K2 value increased from 0.08597 to 0.11320 g(-1). Plot for K1 exhibited a slope changes around 45 °C corresponding to gelatinization temperature of split chickpeas. The effect of temperature and time on physical properties of split chickpea during soaking was monitored by regression equations. It was concluded that physical properties of split chickpea affected by its water absorption especially at higher temperatures.

  14. Cure kinetics, morphologies, and mechanical properties of thermoplastic/MWCNT modified multifunctional glassy epoxies prepared via continuous reaction methods

    Science.gov (United States)

    Cheng, Xiaole

    The primary goal of this dissertation is to develop a novel continuous reactor method to prepare partially cured epoxy prepolymers for aerospace prepreg applications with the aim of replacing traditional batch reactors. Compared to batch reactors, the continuous reactor is capable of solubilizing and dispersing a broad range of additives including thermoplastic tougheners, stabilizers, nanoparticles and curatives and advancing epoxy molecular weights and viscosities while reducing energy consumption. In order to prove this concept, polyethersulfone (PES) modified 4, 4'-diaminodiphenylsulfone (44DDS)/tetraglycidyl-4, 4'-diaminodiphenylmethane (TGDDM) epoxy prepolymers were firstly prepared using both continuous reactor and batch reactor methods. Kinetic studies confirmed the chain extension reaction in the continuous reactor is similar to the batch reactor, and the molecular weights and viscosities of prepolymers were readily controlled through reaction kinetics. Atomic force microscopy (AFM) confirmed similar cured network morphologies for formulations prepared from batch and continuous reactors. Additionally tensile strength, tensile modulus and fracture toughness analyses concluded mechanical properties of cured epoxy matrices produced from both reactors were equivalent. Effects of multifunctional epoxy compositions on thermoplastics phase-separated morphologies were systematically studied using a combination of AFM with nanomechanical mapping, spectroscopic and calorimetric techniques to provide new insights to tailor cured reaction induced phase separation (CRIPS) in multifunctional epoxy blend networks. Furthermore, how resultant crosslinked glassy polymer network and phase-separated morphologies correlated with mechanical properties are discussed in detail. Multiwall carbon nanotube (MWCNT)/TGDDM epoxy prepolymers were further prepared by combining the successful strategies for advancing epoxy chemistries and dispersing nanotubes using the continuous reactor

  15. The Alzheimer Disease Protective Mutation A2T Modulates Kinetic and Thermodynamic Properties of Amyloid-β (Aβ) Aggregation*

    Science.gov (United States)

    Benilova, Iryna; Gallardo, Rodrigo; Ungureanu, Andreea-Alexandra; Castillo Cano, Virginia; Snellinx, An; Ramakers, Meine; Bartic, Carmen; Rousseau, Frederic; Schymkowitz, Joost; De Strooper, Bart

    2014-01-01

    Missense mutations in alanine 673 of the amyloid precursor protein (APP), which corresponds to the second alanine of the amyloid β (Aβ) sequence, have dramatic impact on the risk for Alzheimer disease; A2V is causative, and A2T is protective. Assuming a crucial role of amyloid-Aβ in neurodegeneration, we hypothesized that both A2V and A2T mutations cause distinct changes in Aβ properties that may at least partially explain these completely different phenotypes. Using human APP-overexpressing primary neurons, we observed significantly decreased Aβ production in the A2T mutant along with an enhanced Aβ generation in the A2V mutant confirming earlier data from non-neuronal cell lines. More importantly, thioflavin T fluorescence assays revealed that the mutations, while having little effect on Aβ42 peptide aggregation, dramatically change the properties of the Aβ40 pool with A2V accelerating and A2T delaying aggregation of the Aβ peptides. In line with the kinetic data, Aβ A2T demonstrated an increase in the solubility at equilibrium, an effect that was also observed in all mixtures of the A2T mutant with the wild type Aβ40. We propose that in addition to the reduced β-secretase cleavage of APP, the impaired propensity to aggregate may be part of the protective effect conferred by A2T substitution. The interpretation of the protective effect of this mutation is thus much more complicated than proposed previously. PMID:25253695

  16. Emission properties of Tb{sup 3+} ions in LYSO: evidence of a cross relaxation mechanism explained by a kinetic model

    Energy Technology Data Exchange (ETDEWEB)

    Ricci, P C; Salis, M; Corpino, R; Carbonaro, C M; Anedda, A [Dipartimento di Fisica, Universita di Cagliari, Cittadella Universitaria, S.P. No. 8, I-09042 Monserrato (Cagliari) (Italy); Fortin, E, E-mail: carlo.ricci@dsf.unica.i [Department of Physics, Macdonald Hall, 150 Louis Pasteur, Ottawa, ON, K1N 6N5 (Canada)

    2010-09-01

    The optical properties of Tb{sup 3+} ions in oxyorthosilicates of lutetium and yttrium (LYSO) are reported. The introduction of a small number of terbium ions (nominal content 10 ppm) generates, in the otherwise transparent absorption spectrum of the matrix, an ultraviolet absorption band peaked at about 240 nm. By exciting within the reported UV band, line shaped emissions in the 350-600 nm range are detected. These transitions are related to the {sup 5}D{sub 3} and {sup 5}D{sub 4} levels of the Tb{sup 3+} ions and are characterized by decay times in the millisecond time domain. Analysis of the decay time measurements allows us to individuate a cross relaxation mechanism among terbium ions even at the low dopant concentration investigated. We propose a three-level kinetic model which is able to successfully reproduce the experimental data, allowing us to discriminate among the radiative and non-radiative contributions to the observed emissions.

  17. Roles of Bulk and Surface Chemistry in the Oxygen Exchange Kinetics and Related Properties of Mixed Conducting Perovskite Oxide Electrodes

    Directory of Open Access Journals (Sweden)

    Nicola H. Perry

    2016-10-01

    Full Text Available Mixed conducting perovskite oxides and related structures serving as electrodes for electrochemical oxygen incorporation and evolution in solid oxide fuel and electrolysis cells, respectively, play a significant role in determining the cell efficiency and lifetime. Desired improvements in catalytic activity for rapid surface oxygen exchange, fast bulk transport (electronic and ionic, and thermo-chemo-mechanical stability of oxygen electrodes will require increased understanding of the impact of both bulk and surface chemistry on these properties. This review highlights selected work at the International Institute for Carbon-Neutral Energy Research (I2CNER, Kyushu University, set in the context of work in the broader community, aiming to characterize and understand relationships between bulk and surface composition and oxygen electrode performance. Insights into aspects of bulk point defect chemistry, electronic structure, crystal structure, and cation choice that impact carrier concentrations and mobilities, surface exchange kinetics, and chemical expansion coefficients are emerging. At the same time, an understanding of the relationship between bulk and surface chemistry is being developed that may assist design of electrodes with more robust surface chemistries, e.g., impurity tolerance or limited surface segregation. Ion scattering techniques (e.g., secondary ion mass spectrometry, SIMS, or low energy ion scattering spectroscopy, LEIS with high surface sensitivity and increasing lateral resolution are proving useful for measuring surface exchange kinetics, diffusivity, and corresponding outer monolayer chemistry of electrodes exposed to typical operating conditions. Beyond consideration of chemical composition, the use of strain and/or a high density of active interfaces also show promise for enhancing performance.

  18. BiOI/TiO{sub 2}-nanorod array heterojunction solar cell: Growth, charge transport kinetics and photoelectrochemical properties

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Lingyun; Daoud, Walid A., E-mail: wdaoud@cityu.edu.hk

    2015-01-01

    Highlights: • BiOI/TiO{sub 2} photoanodes were fabricated by a simple solvothermal/hydrothermal method. • BiOI/TiO{sub 2} (PVP) showed a 13-fold increase in photocurrent density compared to TiO{sub 2}. • Charge transport kinetics within the BiOI/TiO{sub 2} heterojunctions are discussed. - Abstract: A series of BiOI/TiO{sub 2}-nanorod array photoanodes were grown on fluorine-doped tin oxide (FTO) glass using a simple two-step solvothermal/hydrothermal method. The effects of the hydrothermal process, such as TiO{sub 2} nanorod growth time, BiOI concentration and the role of surfactant, polyvinylpyrrolidone (PVP), on the growth of BiOI, were investigated. The heterojunctions were characterized by X-ray diffraction, UV–vis absorbance spectroscopy and scanning electron microscopy. The photoelectrochemical properties of the as-grown junctions, such as linear sweep voltammetry (LSV) behavior, photocurrent response and incident photon-to-electron conversion efficiency (IPCE) under Xenon lamp illumination, are presented. The cell with BiOI/TiO{sub 2} (PVP) as photoanode can reach a short current density (J{sub sc}) of 0.13 mA/cm{sup 2} and open circuit voltage (V{sub oc}) of 0.46 V vs. Ag/AgCl under the irradiation of a 300 W Xenon lamp. Compared to bare TiO{sub 2}, the IPCE of BiOI/TiO{sub 2} (PVP) increased 4–5 times at 380 nm. Furthermore, the charge transport kinetics within the heterojunction is also discussed.

  19. Radiation effects on rat testes. VIII. Kinetic properties of hydrolases following partial body gamma irradiation of rats.

    Science.gov (United States)

    Gupta, G S; Bawa, S R

    1975-05-01

    Kinetic properties such as Michaelis constant (Km), maximum velocity (Vmax), temperature coefficient (Q10) and energy of activation (Ea) for hydrolysis of adenosine-5'-phosphate at pH 9.5 and sodium pyrophosphate at pH 8.35 by normal and radiated testes supernatants have been described. Kinetic parameters are related to respective phosphohydrolases (phosphatases). (1) Km values for 5'nucleotidase and inorganic pyrophosphatase of normal testis were determined as 1.25 X 10(-3)M and 0.81 X 10(-3)M respectively; (II) Vmax correspond to 318 mug P/15 min and 430 mug P/15 min for 100 mg tissue respectively; (III) Q10 for 5 nucleotidase is 1.7 and for inorganic pyrophosphatase is 4.2 at a temperature 10-30degreesC; (IV) Ea for hydrolysis of AMP and sodium pyrophosphate were calculated by Arrhenius plots as 17000 and 9000 cal/mol. (V) Km values for irradiated enzymes are similar to the control values suggesting that the binding capacities of these enzymes with their substrates remain unaffected after radiation; (VI) Vmax for radiated enzymes correspond to a value of 500 mug P/100 mg tissue/15 min for 5'nucleotidase and 118 mug P/100 mug tissue/15 min for inorganic pyrophosphatase; (VII) 110 for 5'nucleotidase is 2.2 and inorganic pyrophosphatase 1.16 at 10-30degreesC; (VIII) Ea for irradiated 5'nucleotidase is comparable to those of normal rats whereas for inorganic pyrophosphatase Ea is moderately declined. The observed changes have been related to the different types of metabolic activity in germinal and nongerminal cells of testes.

  20. Cytotoxic and bioactive properties of different color tulip flowers and degradation kinetic of tulip flower anthocyanins.

    Science.gov (United States)

    Sagdic, Osman; Ekici, Lutfiye; Ozturk, Ismet; Tekinay, Turgay; Polat, Busra; Tastemur, Bilge; Bayram, Okan; Senturk, Berna

    2013-08-01

    This study was conducted to determine the potential use of anthocyanin-based extracts (ABEs) of wasted tulip flowers as food/drug colorants. For this aim, wasted tulip flowers were samples and analyzed for their bioactive properties and cytotoxicity. Total phenolic contents of the extracts of the claret red (126.55 mg of gallic acid equivalent (GAE)/g dry extract) and orange-red (113.76 mg GAE/g dry extract) flowers were the higher than those of the other tulip flowers. Total anthocyanin levels of the violet, orange-red, claret red and pink tulip flower extracts were determined as 265.04, 236.49, 839.08 and 404.45 mg pelargonidin 3-glucoside/kg dry extract, respectively and these levels were higher than those of the other flowers. The extracts were more effective for the inhibition of Listeria monocytogenes, Staphylococcus aureus and Yersinia enterocolitica compared to other tested bacteria. Additionally, the cytotoxic effects of five different tulip flower extracts on human breast adenocarcinoma (MCF-7) cell line were investigated. The results showed that the orange red, pink and violet extracts had no cytotoxic activity against MCF-7 cell lines while yellow and claret red extracts appeared to be toxic for the cells. Overall, the extracts of tulip flowers with different colors possess remarkable bioactive and cytotoxic properties. Copyright © 2013 Elsevier Ltd. All rights reserved.

  1. Kinetic theory of transport processes in partially ionized reactive plasma, II: Electron transport properties

    Science.gov (United States)

    Zhdanov, V. M.; Stepanenko, A. A.

    2016-11-01

    The previously obtained in (Zhdanov and Stepanenko, 2016) general transport equations for partially ionized reactive plasma are employed for analysis of electron transport properties in molecular and atomic plasmas. We account for both elastic and inelastic interaction channels of electrons with atoms and molecules of plasma and also the processes of electron impact ionization of neutral particles and three-body ion-electron recombination. The system of scalar transport equations for electrons is discussed and the expressions for non-equilibrium corrections to electron ionization and recombination rates and the diagonal part of the electron pressure tensor are derived. Special attention is paid to analysis of electron energy relaxation during collisions with plasma particles having internal degrees of freedom and the expression for the electron coefficient of inelastic energy losses is deduced. We also derive the expressions for electron vector and tensorial transport fluxes and the corresponding transport coefficients for partially ionized reactive plasma, which represent a generalization of the well-known results obtained by Devoto (1967). The results of numerical evaluation of contribution from electron inelastic collisions with neutral particles to electron transport properties are presented for a series of molecular and atomic gases.

  2. Relationship between knee kinetic outcome measures in vertical counter movement jumps and self-reported function in ACL reconstructed subjects

    DEFF Research Database (Denmark)

    Brekke, Anders Falk

    2014-01-01

    and Traumatology, Odense University Hospital, Institute of Clinical Research, University of Southern Denmark Introduction: Altered loading pattern of the medial aspect of the knee has been associated with the development of knee osteoarthritis (OA). Anterior cruciate ligament (ACL) injuries are associated......Relationship between knee kinetic outcome measures in counter movement jumps and self-reported function in ACL reconstructed subjects Brekke AF1,2, Nielsen DB2, Holsgaard-Larsen A2 1School of physiotherapy, University College Zealand, Denmark 2Orthopaedic Research Unit, Department of Orthopaedics...

  3. Final Report: Mechanisms of sputter ripple formation: coupling among energetic ions, surface kinetics, stress and composition

    Energy Technology Data Exchange (ETDEWEB)

    Chason, Eric; Shenoy, Vivek

    2013-01-22

    Self-organized pattern formation enables the creation of nanoscale surface structures over large areas based on fundamental physical processes rather than an applied template. Low energy ion bombardment is one such method that induces the spontaneous formation of a wide variety of interesting morphological features (e.g., sputter ripples and/or quantum dots). This program focused on the processes controlling sputter ripple formation and the kinetics controlling the evolution of surfaces and nanostructures in high flux environments. This was done by using systematic, quantitative experiments to measure ripple formation under a variety of processing conditions coupled with modeling to interpret the results.

  4. Energetics and kinetics of anaerobic aromatic and fatty acid degradation. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Michael J. McInerney

    1996-06-24

    The factors that affect the rate and extent of a model aromatic compound, benzoate, in methanogenic environments was studied. Benzoate is degraded to a threshold concentration below which no further substrate degradation occurs. The threshold concentration depended on the substrate concentration and the amount of acetate present. The threshold value was not a function of the kinetic ability of the organism or toxicity of the end products. Rather a minimal Gibb's free energy value may exist where thermodynamic constraints preclude further benzoate degradation. In addition, new bacterial species were isolated and described, that degrade benzoate or reduce iron, cobalt and other metals.

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

    Energy Technology Data Exchange (ETDEWEB)

    Burnham, A.K.; Braun, R.L.; Sweeney, J.J.; Reynolds, J.G. [Lawrence Livermore National Lab., CA (United States); Vallejos, C.; Talukdar, S. [INTEVEP, Filial de Petroleos de Venezuela, SA, Caracas (Venezuela)

    1992-07-01

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

  6. Optical properties of fly ash. Volume 2, Final report

    Energy Technology Data Exchange (ETDEWEB)

    Self, S.A.

    1994-12-01

    Research performed under this contract was divided into four tasks under the following headings: Task 1, Characterization of fly ash; Task 2, Measurements of the optical constants of slags; Task 3, Calculations of the radiant properties of fly ash dispersions; and Task 4, Measurements of the radiant properties of fly ash dispersions. Tasks 1 and 4 constituted the Ph.D. research topic of Sarbajit Ghosal, while Tasks 2 and 3 constituted the Ph.D. research topic of Jon Ebert. Together their doctoral dissertations give a complete account of the work performed. This final report, issued in two volumes consists of an executive summary of the whole program followed by the dissertation of Ghosal and Ebert. Volume 2 contains the dissertation of Ebert which covers the measurements of the optical constants of slags, and calculations of the radiant properties of fly ash dispersions. A list of publications and conference presentations resulting from the work is also included.

  7. Navigating Organo-Lead Halide Perovskite Phase Space via Nucleation Kinetics toward a Deeper Understanding of Perovskite Phase Transformations and Structure-Property Relationships.

    Science.gov (United States)

    Williams, Spencer T; Chueh, Chu-Chen; Jen, Alex K-Y

    2015-07-01

    Organo-lead halide perovskite photovoltaics have developed faster than our understanding of the material itself. Using the vast body of work on perovskite processing created in just the past few years, it is possible to create a better picture of this material's complex phase-transformation behavior. This concept paper summarizes and correlates the current understanding of structural intermediates, kinetic controls, and structure-property relationships of organo-lead iodide perovskites. To this end, a new way of graphically relating information is developed, allowing the simultaneous mapping of schematic kinetic relationships between all currently prevailing perovskite deposition and growth techniques.

  8. Growth kinetics of Chlorococcum humicola - A potential feedstock for biomass with biofuel properties.

    Science.gov (United States)

    Thomas, Jibu; Jayachithra, E V

    2015-11-01

    Economically viable production facilities for microalgae depend on the optimization of growth parameters with regard to nutrient requirements. Using microalgae to treat industrial effluents containing heavy metals presents an alternative to the current practice of using physical and chemical methods. Present work focuses on the statistical optimization of growth of Chlorococcum humicola to ascertain the maximum production of biomass. Plackett Burman design was carried out to screen the significant variables influencing biomass production. Further, Response Surface Methodology was employed to optimize the effect of inoculum, light intensity and pH on net biomass yield. Optimum conditions for maximum biomass yield were identified to be inoculum at 15%, light intensity to be 1500lx and pH 8.5. Theoretical and predicted values were in agreement and thus the model was found to be significant. Gas chromatography analyses of the FAME derivatives showed a high percentage of saturated fatty acids thereby confirming the biofuel properties of the oil derived from algal biomass.

  9. Atomistic Structure, Strength, and Kinetic Properties of Intergranular Films in Ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Garofalini, Stephen H

    2015-01-08

    Intergranular films (IGFs) present in polycrystalline oxide and nitride ceramics provide an excellent example of nanoconfined glasses that occupy only a small volume percentage of the bulk ceramic, but can significantly influence various mechanical, thermal, chemical, and optical properties. By employing molecular dynamics computer simulations, we have been able to predict structures and the locations of atoms at the crystal/IGF interface that were subsequently verified with the newest electron microscopies. Modification of the chemistry of the crystal surface in the simulations provided the necessary mechanism for adsorption of specific rare earth ions from the IGF in the liquid state to the crystal surface. Such results had eluded other computational approaches such as ab-initio calculations because of the need to include not only the modified chemistry of the crystal surfaces but also an accurate description of the adjoining glassy IGF. This segregation of certain ions from the IGF to the crystal caused changes in the local chemistry of the IGF that affected fracture behavior in the simulations. Additional work with the rare earth ions La and Lu in the silicon oxynitride IGFs showed the mechanisms for their different affects on crystal growth, even though both types of ions are seen adhering to a bounding crystal surface that would normally imply equivalent affects on grain growth.

  10. NADP-glutamate dehydrogenase isoenzymes of Saccharomyces cerevisiae. Purification, kinetic properties, and physiological roles.

    Science.gov (United States)

    DeLuna, A; Avendano, A; Riego, L; Gonzalez, A

    2001-11-23

    In the yeast Saccharomyces cerevisiae, two NADP(+)-dependent glutamate dehydrogenases (NADP-GDHs) encoded by GDH1 and GDH3 catalyze the synthesis of glutamate from ammonium and alpha-ketoglutarate. The GDH2-encoded NAD(+)-dependent glutamate dehydrogenase degrades glutamate producing ammonium and alpha-ketoglutarate. Until very recently, it was considered that only one biosynthetic NADP-GDH was present in S. cerevisiae. This fact hindered understanding the physiological role of each isoenzyme and the mechanisms involved in alpha-ketoglutarate channeling for glutamate biosynthesis. In this study, we purified and characterized the GDH1- and GDH3-encoded NADP-GDHs; they showed different allosteric properties and rates of alpha-ketoglutarate utilization. Analysis of the relative levels of these proteins revealed that the expression of GDH1 and GDH3 is differentially regulated and depends on the nature of the carbon source. Moreover, the physiological study of mutants lacking or overexpressing GDH1 or GDH3 suggested that these genes play nonredundant physiological roles. Our results indicate that the coordinated regulation of GDH1-, GDH3-, and GDH2-encoded enzymes results in glutamate biosynthesis and balanced utilization of alpha-ketoglutarate under fermentative and respiratory conditions. The possible relevance of the duplicated NADP-GDH pathway in the adaptation to facultative metabolism is discussed.

  11. Production, Distribution, and Kinetic Properties of Inulinase in Continuous Cultures of Kluyveromyces marxianus CBS 6556

    Science.gov (United States)

    Rouwenhorst, Robert J.; Visser, Leo E.; Van Der Baan, Adriaan A.; Scheffers, W. Alexander; Van Dijken, Johannes P.

    1988-01-01

    From a screening of several Kluyveromyces strains, the yeast Kluyveromyces marxianus CBS 6556 was selected for a study of the parameters relevant to the commercial production of inulinase (EC 3.2.1.7). This yeast exhibited superior properties with respect to growth at elevated temperatures (40 to 45°C), substrate specificity, and inulinase production. In sucrose-limited chemostat cultures growing on mineral medium, the amount of enzyme decreased from 52 U mg of cell dry weight−1 at D = 0.1 h−1 to 2 U mg of cell dry weight−1 at D = 0.8 h−1. Experiments with nitrogen-limited cultures further confirmed that synthesis of the enzyme is negatively controlled by the residual sugar concentration in the culture. High enzyme activities were observed during growth on nonsugar substrates, indicating that synthesis of the enzyme is a result of a derepression/repression mechanism. A substantial part of the inulinase produced by K. marxianus was associated with the cell wall. The enzyme could be released from the cell wall via a simple chemical treatment of cells. Results are presented on the effect of cultivation conditions on the distribution of the enzyme. Inulinase was active with sucrose, raffinose, stachyose, and inulin as substrates and exhibited an S/I ratio (relative activities with sucrose and inulin) of 15 under standard assay conditions. The enzyme activity decreased with increasing chain length of the substrate. PMID:16347626

  12. Magnetic Properties and Kinetics Parameters of Electroless Magnetic Loss CoFeB Films

    Institute of Scientific and Technical Information of China (English)

    LIU Chang-hui; HE Hua-hui; SHEN Xiang; LI Hai-hua

    2008-01-01

    Electroless CoFeB films with good soft magnetic properties were fabricated on polyester plastic substrate from sodium tartarate as a complexing agent. The plating rate of electroless CoFeB films is a function of concentration of sodium tetrahydroborate, pH of the plating bath, plating temperature and the metallic ratio. The estimated regression coefficient b0-b3 confidence interval, residual error r and confidence interval rint were confirmed by a computer program. The optimal composition of the plating bath was obtained and the dynamic electromagnetic parameters of films were measured in the 2-10 GHz range. At 2 GHz, the μ′, μ″ of the electroless CoFeB films were 304 and 76.6, respectively, as the concentration of reducer is 1 g/L. Magnetic hysteresis loop of the deposited CoFeB films show a remanence close to the saturation magnetization and coercivity of about 55.7-127.4 A/m. The loops along the hard axis display low anisotropic field Hk of 2 388-3 582 A/m.

  13. Electrical Properties and Grain Growth Kinetics of PZN-based Ceramics Using Microwave Sintering

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Effectiveness of microwave sintering process through investigation of microstructural characteristics and electrical properties of x(0.94PbZn1/3 Nb2/3O3 + 0.06BaTiO3) + (1 - x)PbZryTi1-yO3 (PBZNZT) ceramics with x = 0.6 and y = 0.52 was evaluated. The relative density of 95% was achieved with sintering at 800℃ for 2 h. The small grain growth exponents indicate how easy the grain growth in these materials sintered using microwave radiation. Grain growth rate increases abruptly and is higher than that of conventional sintering at a temperature higher than 1050℃. This is attributed to the lower activation energy and higher grain boundary mobility. The activation energy required for the grain growth is found to be 132kJ/mol. Higher remanent polarization (Pr = 50.1μC/cm2) and increase in remanent polarization with sintering temperature are observed in microwave sintering process when compared to that of conventional sintering process,due to fast increase in grain growth rate and homogeneity in the specimen. The results indicate lower sintering energy and reduction of PbO pollution in the working environment by microwave sintering process.

  14. Structural, electronic and kinetic properties of the phase-change material Ge2Sb2Te5 in the liquid state

    Science.gov (United States)

    Schumacher, Mathias; Weber, Hans; Jóvári, Pál; Tsuchiya, Yoshimi; Youngs, Tristan G. A.; Kaban, Ivan; Mazzarello, Riccardo

    2016-06-01

    Phase-change materials exhibit fast and reversible transitions between an amorphous and a crystalline state at high temperature. The two states display resistivity contrast, which is exploited in phase-change memory devices. The technologically most important family of phase-change materials consists of Ge-Sb-Te alloys. In this work, we investigate the structural, electronic and kinetic properties of liquid Ge2Sb2Te5 as a function of temperature by a combined experimental and computational approach. Understanding the properties of this phase is important to clarify the amorphization and crystallization processes. We show that the structural properties of the models obtained from ab initio and reverse Monte Carlo simulations are in good agreement with neutron and X-ray diffraction experiments. We extract the kinetic coefficients from the molecular dynamics trajectories and determine the activation energy for viscosity. The obtained value is shown to be fully compatible with our viscosity measurements.

  15. Property Prediction of Dry Common Carp (Cyprinus Carpio During Storage by Kinetic Model

    Directory of Open Access Journals (Sweden)

    Qian Lu

    2014-12-01

    Full Text Available Common carp (Cyprinus carpio is an important food resource in European and Asian countries. Nowadays, common carp after drying process is appreciated by the transportation agency and food industry because of its low transportation cost. Changes of acid value (AV, total bacterial count (TBC, and peroxide value (PV were reported in this study. We found that the changes of AV, TBC and PV of dry common carp fitted the first order reaction model and the reaction energies of changes of AV, TBC, and PV during storage were 4.56 kJ/mol, 2.21 kJ/mol, and 2.33 kJ/mol, respectively. This study will provide theoretical knowledge to food factories relating with dry fish storage and transportation.

  16. Kinetics of fluorescence properties of Eu3+ion in strontium-aluminium-bismuth-borate glasses

    Institute of Scientific and Technical Information of China (English)

    M. Dhamodhara Naidu; D. Rajesh; A. Balakrishna; Y.C. Ratnakaram

    2014-01-01

    Eu3+doped strontium-aluminium-bismuth-borate glasses with the chemical composition (50–x)B2O3+20Bi2O3+7AlF3+8SrO+15SrF2+xEu2O3 (where x=0.1 mol.%, 0.5 mol.%, 1.0 mol.%and 1.5 mol.%) were prepared by the conventional melt quenching technique. Structural properties of the prepared glasses were analysed through X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) and Raman spectral techniques. Thermal stability of glass was analysed by differential thermal analysis (DTA) curve. Photoluminescence characteristics were studied using excitation, emission spectra and decay curves of Eu3+doped strontium-aluminium-bismuth-borate glasses. The Judd-Ofelt (J-O) intensity parameters,Ωλ(λ=2, 4 and 6) were obtained using emission spectra and was used to identify the nature of Eu3+ions with their surrounding ligands. Using J-O parameters the tran-sition probabilities (A), stimulated emission cross-sections σEp , branching ratios (βR) and radiative lifetimes (τmeas and τcal) were evaluated for the 5D0→7FJ (J=0, 1, 2, 3 and 4) transition of Eu3+ions in the present glasses. The decay profiles were found to be non exponential for all the concentrations and the measured lifetimes (τmeas) were obtained from the decay profiles. The higher values of A,σEp ,βR and quantum efficiency (η) for 5D0→7F2 emission transition at 617 nm confirmed the present glass was as active medium for red laser emission applications.

  17. Thermodynamics and the hydrodenitrogenation of indole: Part 1, Thermodynamic properties of indoline and 2-methylindole: Part 2, Gibbs energies of reaction in the hydrodenitrogenation of indole: Part 3, Thermodynamic equilibria and comparison with literature kinetic

    Energy Technology Data Exchange (ETDEWEB)

    Steele, W. V.; Chirico, R. D.

    1989-06-01

    Ideal-gas thermodynamic properties for indoline and 2-methylindole based on accurate calorimetric measurements (between 300 to 500 K and 300 to 700 K, respectively) were determined; well into the range of typical chemical process temperatures. The calorimetrically derived values provide a firm basis for the prediction of thermodynamic properties for a large family of structures including many substituted indoles and indolines. Critical-temperature/density measurements obtained using a differential scanning calorimeter (DSC) are reported for 2-methylindole. A critical pressure and acentric factor are derived for 2-methylindole. Group-additivity estimation methods are employed to estimate the Gibbs energies of formation for the reactants, intermediates, and products in a reaction scheme for the hydrodenitrogenation (HDN) of indole. Thermodynamic equilibria calculations on the indole/indoline/hydrogen system are compared with experimental batch-reaction measurements reported in the literature. The interplay between thermodynamics and kinetics in the HDN of indole is discussed. 41 refs., 11 figs., 23 tabs.

  18. Electrical and mechanical controlling of the kinetic and magnetic properties of hydrogen atoms on free-standing silicene

    Science.gov (United States)

    Podsiadły-Paszkowska, Agata; Krawiec, Mariusz

    2016-07-01

    Effects of strain, charge doping and external electric field on kinetic and magnetic properties of hydrogen atoms on a free-standing silicene layer are investigated by first-principles density functional theory. It was found that the charge doping and strain are the most effective ways of changing the hydrogen-silicene binding energy, but they can only raise its value. The perpendicular external electric field can also lower it albeit in a narrower range. The strain has also the strongest impact on diffusion processes, and the diffusion barrier can be modified up to 50% of its unstrained value. The adsorption of hydrogen atoms results in a locally antiferromagnetic ground state with the effective exchange constant of approximately 1 eV. The system can easily be driven into a nonmagnetic phase by the charge doping and strain. The obtained results are very promising in view of the silicene functionalization and potential applications of silicene in fields of modern nanoelectronics and spintronics.

  19. Energetics and kinetics of anaerobic aromatic and fatty acid degradation. Progress report, November 1992--November 1993

    Energy Technology Data Exchange (ETDEWEB)

    McInerney, M.J.

    1993-11-12

    The kinetics of benzoate degradation by the anaerobic syntrophic bacterium, Syntrophus buswellii, in coculture with different sulfate reducers was studied with sulfate or nitrate as the electron acceptor. A threshold value for benzoate degradation dependent on the acetate concentration was observed with sulfate, but not nitrate, as the electron acceptor. No threshold was observed in tricultures containing an acetate-using sulfate reducer. The addition of the acetate-using sulfate reducer to cocultures that had degraded benzoate to its threshold value resulted in further degradation of benzoate to levels below the analytical detection limit (ca. 200 nM). These data are consistent with a thermodynamic explanation for the threshold, and exclude the possibility that the threshold was the result of the inhibitory action of the undissociated form of acetate.

  20. Digestive kinetics determines bioavailability of pollutants. Final report, 1 June 1993--30 September 1998

    Energy Technology Data Exchange (ETDEWEB)

    Jumars, P.A.; Mayer, L.M.

    1999-04-19

    The authors assayed digestive capabilities of marine deposit feeders (animals that eat sediments) by using fluorescently tagged substrates and contact-angle measurements of surfactancy. Polychaetes on average showed higher enzyme activities and surfactancy than echinoderms. They found that surfactants produced by deposit feeders substantially enhance their abilities to solubilize hydrophobic pollutants such as polycyclic aromatic hydrocarbons (PAHs). Amounts solubilized were consistent with incorporation into micelles of the surfactant. Kinetics of PAH uptake could be explained by passive diffusion. The authors also found that the digestive strategies of deposit feeders often produce concentrations of proteins (digestive enzymes plus products of protein digestion) that are sufficient to solubilize metals. Histidine residues in these proteins were found to be critical for copper binding.

  1. Infrared Absorption Spectroscopy and Chemical Kinetics of Free Radicals, Final Technical Report

    Science.gov (United States)

    Curl, Robert F.; Glass, Graham P.

    2004-11-01

    This research was directed at the detection, monitoring, and study of the chemical kinetic behavior by infrared absorption spectroscopy of small free radical species thought to be important intermediates in combustion. Work on the reaction of OH with acetaldehyde has been completed and published and work on the reaction of O({sup 1}D) with CH{sub 4} has been completed and submitted for publication. In the course of our investigation of branching ratios of the reactions of O({sup 1}D) with acetaldehyde and methane, we discovered that hot atom chemistry effects are not negligible at the gas pressures (13 Torr) initially used. Branching ratios of the reaction of O({sup 1}D) with CH{sub 4} have been measured at a tenfold higher He flow and fivefold higher pressure.

  2. ANALYSIS OF THE KINETICS OF SOLVOLYSIS OF P-NITROPHENYLSULFONYLMETHYL PERCHLORATE IN BINARY ALCOHOLIC MIXTURES IN TERMS OF THE THERMODYNAMIC PROPERTIES OF THE SOLVENT MIXTURES

    NARCIS (Netherlands)

    WIJNEN, JW; ENGBERTS, JBFN; BLANDAMER, MJ

    1993-01-01

    Rate constants are reported for the solvolysis of p-nitrophenylsulfonylmethyl perchlorate in binary ethanolic and methanolic mixtures at 298.2 K. Co-solvents include hydrocarbons, chlorinated hydrocarbons and 1,4-dioxane. The kinetic data are examined in terms of the effect of decreasing mole fracti

  3. Optimization of a novel two-solution poly(methyl methacrylate) bone cement: Effect of composition on material properties and polymerization kinetics

    Science.gov (United States)

    Hasenwinkel, Julie Miller

    A novel two-solution poly(methyl methacrylate) bone cement was developed as an alternative to powder/liquid cements, which are used clinically for the fixation of total joint replacements. This material polymerizes via a free radical mechanism, initiated by the redox reaction of benzoyl peroxide (BPO) and N,N dimethyl-p-toluidine (DMPT). The two-solution concept is advantageous over powder/liquid formulations because it minimizes sources of porosity, produces a homogeneous microstructure, simplifies the mixing and delivery process, and reduces the dependence of material properties on surgical techniques. Experiments were performed to determine the effect of initiation chemistry on the material properties and polymerization kinetics of twelve cement compositions. Select material properties were also evaluated with respect to polymer/monomer ratio and initial polymer molecular weight. The results confirm the hypothesis that initiation chemistry affects material properties via the polymerization kinetics and resulting microstructural properties. The exotherm, setting time, flexural mechanical properties, fracture toughness, fatigue behavior, and residual monomer were evaluated, with respect to initiation chemistry. The flexural strength, modulus, and exotherm were maximized, while the residual monomer was minimized at a BPO:DMPT molar ratio of 1:1. High DMPT concentrations resulted in sub-optimal properties, with short setting times and reduced ductility, fracture toughness, and fatigue strength. Initial polymer molecular weight had no significant effect on the material properties. Polymer conversion and free radical concentration were measured by infrared (FTIR) and electron paramagnetic resonance (EPR) spectroscopy. These data were used to calculate the polymerization reaction rates and kinetic rate constants for each composition. Stoichiometric concentrations of BPO and DMPT maximized the radical concentration and conversion. The BPO and DMPT concentrations

  4. Zirconium Carbide Produced by Spark Plasma Sintering and Hot Pressing: Densification Kinetics, Grain Growth, and Thermal Properties

    Directory of Open Access Journals (Sweden)

    Xialu Wei

    2016-07-01

    Full Text Available Spark plasma sintering (SPS has been employed to consolidate a micron-sized zirconium carbide (ZrC powder. ZrC pellets with a variety of relative densities are obtained under different processing parameters. The densification kinetics of ZrC powders subjected to conventional hot pressing and SPS are comparatively studied by applying similar heating and loading profiles. Due to the lack of electric current assistance, the conventional hot pressing appears to impose lower strain rate sensitivity and higher activation energy values than those which correspond to the SPS processing. A finite element simulation is used to analyze the temperature evolution within the volume of ZrC specimens subjected to SPS. The control mechanism for grain growth during the final SPS stage is studied via a recently modified model, in which the grain growth rate dependence on porosity is incorporated. The constant pressure specific heat and thermal conductivity of the SPS-processed ZrC are determined to be higher than those reported for the hot-pressed ZrC and the benefits of applying SPS are indicated accordingly.

  5. Enhancement of surface properties for coal beneficiation. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Chander, S.; Aplan, F.F.

    1992-01-30

    This report will focus on means of pyrite removal from coal using surface-based coal cleaning technologies. The major subjects being addressed in this study are the natural and modulated surface properties of coal and pyrite and how they may best be utilized to facilitate their separation using advanced surface-based coal cleaning technology. Emphasis is based on modified flotation and oil agglomerative processes and the basic principles involved. The four areas being addressed are: (1) Collectorless flotation of pyrite; (2) Modulation of pyrite and coal hydrophobicity; (3) Emulsion processes and principles; (4) Evaluation of coal hydrophobicity.

  6. Adsorption Neutralization Model and Floc Growth Kinetics Properties of Aluminum Coagulants Based on Sips and Boltzmann Equations.

    Science.gov (United States)

    Wu, Zhen; Zhang, Xian; Zhou, Chunjiao; Pang, Jing-Lin; Zhang, Panyue

    2017-02-22

    Single-molecule aluminum salt AlCl3, medium polymerized polyaluminum chloride (PAC), and high polymerized polyaluminum chloride (HPAC) were prepared in a laboratory. The characteristics and coagulation properties of these prepared aluminum salts were investigated. The Langmuir, Freundlich, and Sips adsorption isotherms were first used to describe the adsorption neutralization process in coagulation, and the Boltzmann equation was used to fit the reaction kinetics of floc growth in flocculation. It was novel to find that the experimental data fitted well with the Sips and Boltzmann equation, and the significance of parameters in the equations was discussed simultaneously. Through the Sips equation, the adsorption neutralization reaction was proved to be spontaneous and the adsorption neutralization capacity was HPAC > PAC > AlCl3. Sips equation also indicated that the zeta potential of water samples would reach a limit with the increase of coagulant dosage, and the equilibrium zeta potential values were 30.25, 30.23, and 27.25 mV for AlCl3, PAC, and HPAC, respectively. The lower equilibrium zeta potential value of HPAC might be the reason why the water sample was not easy to achieve restabilization at a high coagulant dosage. Through the Boltzmann equation modeling, the maximum average floc size formed by AlCl3, PAC, and HPAC were 196.0, 188.0, and 203.6 μm, respectively, and the halfway time of reactions were 31.23, 17.08, and 9.55 min, respectively. The HPAC showed the strongest floc formation ability and the fastest floc growth rate in the flocculation process, which might be caused by the stronger adsorption and bridging functions of Alb and Alc contained in HPAC.

  7. Kinetic and redox properties of MnP II, a major manganese peroxidase isoenzyme from Panus tigrinus CBS 577.79.

    Science.gov (United States)

    Petruccioli, Maurizio; Frasconi, Marco; Quaratino, Daniele; Covino, Stefano; Favero, Gabriele; Mazzei, Franco; Federici, Federico; D'Annibale, Alessandro

    2009-11-01

    A manganese peroxidase (MnP) isoenzyme from Panus tigrinus CBS 577.79 was produced in a benchtop stirred-tank reactor and purified to apparent homogeneity. The purification scheme involving ultrafiltration, affinity chromatography on concanavalin-A Sepharose, and gel filtration led to a purified MnP, termed "MnP II," with a specific activity of 288 IU mg(-1) protein and a final yield of 22%. The enzyme turned out to be a monomeric protein with molecular mass of 50.5 kDa, pI of 4.07, and an extent of N-glycosylation of about 5.3% of the high-mannose type. The temperature and pH optima for the formation of malonate manganic chelates were 45 degrees C and 5.5, respectively. MnP II proved to be poorly thermostable at 50 and 60 degrees C, with half-lives of 11 min and 105 s, respectively. K (m) values for H(2)O(2) and Mn(2+) were 16 and 124 microM, respectively. Although MnP II was able to oxidize veratryl alcohol and to catalyze the Mn(2+)-independent oxidation of several phenols, it cannot be assigned to the versatile peroxidase family. As opposed to versatile peroxidase oxidation, veratryl alcohol oxidation required the simultaneous presence of H(2)O(2) and Mn(2+); in addition, low turnover numbers and K (m) values higher than 300 microM characterized the Mn(2+)-independent oxidation of substituted phenols. Kinetic properties and the substrate specificity of the enzyme markedly differed from those reported for MnP isoenzymes produced by the reference strain P. tigrinus 8/18. To our knowledge, this study reports for the first time a thorough electrochemical characterization of a MnP from this fungus.

  8. Theoretical modeling of the kinetics of barrierless reactions. Final report: DE-FG02-98ER14902

    Energy Technology Data Exchange (ETDEWEB)

    Klippenstein, Stephen J.

    2003-01-03

    Recent progress is reported on a research program aimed at developing and applying sophisticated transition state theory-based models for the kinetics of barrierless reactions of importance in combustion. Various applications involving the coupling of the variable reaction coordinate (VRC) transition state theory (TST) methodology with ab initio quantum chemical evaluations and/or master equation simulations were provided. Reactions studied included the C{sub 3}H{sub 3} + H and C{sub 3}H{sub 5} + H addition reactions, C{sub 2}H{sub 3} + C{sub 2}H{sub 2} and C{sub 2}H{sub 5} + O{sub 2} reactions, and the unimolecular dissociation of ketene.

  9. Research in chemical kinetics. Progress report, January 1, 1991--December 31, 1991

    Energy Technology Data Exchange (ETDEWEB)

    Rowland, F.S.

    1991-12-31

    This report contains sections on the reaction of chlorine atoms with 1,1,1,2-terafluoroethane, abstraction reactions by thermal chlorine atoms with hfc-134a, and chlorine atom reactions with vinyl bromide.

  10. Combustion Properties of Biomass Flash Pyrolysis Oils: Final Project Report

    Energy Technology Data Exchange (ETDEWEB)

    C. R. Shaddix; D. R. Hardesty

    1999-04-01

    Thermochemical pyrolysis of solid biomass feedstocks, with subsequent condensation of the pyrolysis vapors, has been investigated in the U.S. and internationally as a means of producing a liquid fuel for power production from biomass. This process produces a fuel with significantly different physical and chemical properties from traditional petroleum-based fuel oils. In addition to storage and handling difficulties with pyrolysis oils, concern exists over the ability to use this fuel effectively in different combustors. The report endeavors to place the results and conclusions from Sandia's research into the context of international efforts to utilize pyrolysis oils. As a special supplement to this report, Dr. Steven Gust, of Finland's Neste Oy, has provided a brief assessment of pyrolysis oil combustion research efforts and commercialization prospects in Europe.

  11. Rotor termination is critically dependent on kinetic properties of I kur inhibitors in an in silico model of chronic atrial fibrillation.

    Directory of Open Access Journals (Sweden)

    Eberhard P Scholz

    Full Text Available Inhibition of the atrial ultra-rapid delayed rectifier potassium current (I Kur represents a promising therapeutic strategy in the therapy of atrial fibrillation. However, experimental and clinical data on the antiarrhythmic efficacy remain controversial. We tested the hypothesis that antiarrhythmic effects of I Kur inhibitors are dependent on kinetic properties of channel blockade. A mathematical description of I Kur blockade was introduced into Courtemanche-Ramirez-Nattel models of normal and remodeled atrial electrophysiology. Effects of five model compounds with different kinetic properties were analyzed. Although a reduction of dominant frequencies could be observed in two dimensional tissue simulations for all compounds, a reduction of spiral wave activity could be only be detected in two cases. We found that an increase of the percent area of refractory tissue due to a prolongation of the wavelength seems to be particularly important. By automatic tracking of spiral tip movement we find that increased refractoriness resulted in rotor extinction caused by an increased spiral-tip meandering. We show that antiarrhythmic effects of I Kur inhibitors are dependent on kinetic properties of blockade. We find that an increase of the percent area of refractory tissue is the underlying mechanism for an increased spiral-tip meandering, resulting in the extinction of re-entrant circuits.

  12. Physisorption kinetics

    CERN Document Server

    Kreuzer, Hans Jürgen

    1986-01-01

    This monograph deals with the kinetics of adsorption and desorption of molecules physisorbed on solid surfaces. Although frequent and detailed reference is made to experiment, it is mainly concerned with the theory of the subject. In this, we have attempted to present a unified picture based on the master equation approach. Physisorption kinetics is by no means a closed and mature subject; rather, in writing this monograph we intended to survey a field very much in flux, to assess its achievements so far, and to give a reasonable basis from which further developments can take off. For this reason we have included many papers in the bibliography that are not referred to in the text but are of relevance to physisorption. To keep this monograph to a reasonable size, and also to allow for some unity in the presentation of the material, we had to omit a number of topics related to physisorption kinetics. We have not covered to any extent the equilibrium properties of physisorbed layers such as structures, phase tr...

  13. Fission properties of einsteinium and fermium. [Half-life, kinetic energy release, mass division, prompt neutron emission

    Energy Technology Data Exchange (ETDEWEB)

    Hoffman, D.C.

    1978-01-01

    The systematics of the low energy fission of the fermium isotopes is studied considering half-lives, masss division, kinetic-energy release, and accompanying prompt neutron emission. It is shown that the low energy fission of the fermium isotopes is a microcosm of the fission process, exhibiting a wide range of half lives, mass and kinetic energy distributions and varying neutron emission. The trends in the fermium isotopes are considered. 23 references. (JFP)

  14. Sulfur release from Ohio coals and sorbent kinetics in pulverized coal flames. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Essenhigh, R. [Ohio State Univ., Columbus, OH (United States). Robinson Lab.

    1992-08-01

    In this report we describe the results of investigations into the structure of combustion and sulfur release profiles from coal burning in One-Dimensional P.C. flames using a furnace of unique design for the measurements. Selected measurements were also-carried out in a special high-intensity furnace also of unique design. The formal project work started in late Fall 1989, with unfunded preliminary work in the months prior to that. The process of limestone injection into the flame to control sulfur oxides emissions is a long-standing concept that has been given particular formulation in the LIMB process, and studies of such systems provide bases for commercial system economics. Problems with LIMB and related systems indicated need for better understanding of, jointly, the sulfur release from the coal and the sorbent behavior by the limestone. The investigations as reported in Vol. 1 of this Report used 14 different coals under a range of different initial and operating conditions, and the resulting measurements have provided a database of major proportions, as tabulated in the attached Volumes 2, 3, 4, 5, 6, and 7 of this report. This database consists of sets of measurements totalling about 45,000 entries for all independent and dependent parameters involved. The independent parameters included: coal type (analysis), firing rate, stoichiometry (fuel/air ratio), and sorbent content of the

  15. Psychometric properties of self-report concussion scales and checklists.

    Science.gov (United States)

    McLeod, Tamara C Valovich; Leach, Candace

    2012-01-01

    Alla S, Sullivan SJ, Hale L, McCrory P. Self-report scales/checklists for the measurement of concussion symptoms: a systematic review. Br J Sports Med. 2009;43 (suppl 1):i3-i12. Which self-report symptom scales or checklists are psychometrically sound for clinical use to assess sport-related concussion? Articles available in full text, published from the establishment of each database through December 2008, were identified from PubMed, Medline, CINAHL, Scopus, Web of Science, SPORTDiscus, PsycINFO, and AMED. Search terms included brain concussion, signs or symptoms, and athletic injuries, in combination with the AND Boolean operator, and were limited to studies published in English. The authors also hand searched the reference lists of retrieved articles. Additional searches of books, conference proceedings, theses, and Web sites of commercial scales were done to provide additional information about the psychometric properties and development for those scales when needed in articles meeting the inclusion criteria. Articles were included if they identified all the items on the scale and the article was either an original research report describing the use of scales in the evaluation of concussion symptoms or a review article that discussed the use or development of concussion symptom scales. Only articles published in English and available in full text were included. From each study, the following information was extracted by the primary author using a standardized protocol: study design, publication year, participant characteristics, reliability of the scale, and details of the scale or checklist, including name, number of items, time of measurement, format, mode of report, data analysis, scoring, and psychometric properties. A quality assessment of included studies was done using 16 items from the Downs and Black checklist1 and assessed reporting, internal validity, and external validity. The initial database search identified 421 articles. After 131 duplicate

  16. Introduction to chemical kinetics

    CERN Document Server

    Soustelle, Michel

    2013-01-01

    This book is a progressive presentation of kinetics of the chemical reactions. It provides complete coverage of the domain of chemical kinetics, which is necessary for the various future users in the fields of Chemistry, Physical Chemistry, Materials Science, Chemical Engineering, Macromolecular Chemistry and Combustion. It will help them to understand the most sophisticated knowledge of their future job area. Over 15 chapters, this book present the fundamentals of chemical kinetics, its relations with reaction mechanisms and kinetic properties. Two chapters are then devoted to experimental re

  17. Properties and processing of nanocrystalline materials. Quarterly report

    Energy Technology Data Exchange (ETDEWEB)

    Valiev, R.Z.

    1996-01-22

    The present Report completes the investigations in the frame of the project for the first year. It is important to estimate our achievements in the investigation of properties of nanocrystalline materials obtained by severe plastic deformation and their production. We think that the main results obtained can be summarized as follows: (1) We performed an improvement of the die-set for equal channel (ECA) pressing and torsion under high pressure with the aim to increase dimensions of the samples produced and to conduct processing of low ductile materials. (2) It was established that in pure metals severe plastic deformation led to the formation of an ultra fine-grained structure with a mean grain size of 100-200 nm, while in alloys due to severe plastic deformation and/or special methods of treatment (a decrease in the temperature of deformation, an increase of the pressure applied etc.) the grain size could be decreased down to a few tens of manometers.

  18. THERMODYNAMIC AND KINETIC MODELING OF ADVANCED NUCLEAR FUELS - FINAL LDRD-ER REPORT

    Energy Technology Data Exchange (ETDEWEB)

    Turchi, P

    2011-11-28

    This project enhanced our theoretical capabilities geared towards establishing the basic science of a high-throughput protocol for the development of advanced nuclear fuel that should couple modern computational materials modeling and simulation tools, fabrication and characterization capabilities, and targeted high throughput performance testing experiments. The successful conclusion of this ER project allowed us to upgrade state-of-the-art modeling codes, and apply these modeling tools to ab initio energetics and thermodynamic assessments of phase diagrams of various mixtures of actinide alloys, propose a tool for optimizing composition of complex alloys for specific properties, predict diffusion behavior in diffusion couples made of actinide and transition metals, include one new equation in the LLNL phase-field AMPE code, and predict microstructure evolution during alloy coring. In FY11, despite limited funding, the team also initiated an experimental activity, with collaboration from Texas A&M University by preparing samples of nuclear fuels in bulk forms and for diffusion couple studies and metallic matrices, and performing preliminary characterization.

  19. Electrode properties of Sr-doped LaMnO{sub 3} on yttria-stabilized zirconia. Part 2. Electrode kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Van Heuveln, F.H.; Bouwmeester, H.J.M.

    1996-04-01

    A series of six cathodes Sr{sub 0.15}La{sub 0.85}MnO{sub 3} (SLM) on stabilised zirconia (YSZ) with different morphology of the electrode/electrolyte interface were characterised by ac-impedance and dc-polarisation measurements. It is found that the electrode kinetics at elevated temperature (945C) are governed by two serial processes. An activation process can be identified to occur at high cathodic over potential, whereas a transport process competes with charge transfer at comparatively low overpotential. Attention is drawn to the profound change in the electrocatalytic properties of SLM upon current passage, and its influence in elucidation of the interfacial kinetics. 8 figs., 5 tabs., 11 refs.

  20. Competitive ion kinetics in direct mass spectrometric organic speciation. 1994 Progress report

    Energy Technology Data Exchange (ETDEWEB)

    Sieck, L.W.

    1994-12-31

    The experimental work on the gas phase proton affinity (PA) scale, discussed in some detail in last year`s Progress Report, will be completed within the next few weeks. Basically this effort involves the development of a precise and accurate interlocking ladder of relative PA`s derived from the temperature dependence of proton transfer equilibria incorporating a variety of reactant pairs using the technique of pulsed high pressure mass spectrometry (NIST has the only US facility). The PA subset under investigation was expanded from the original list to cover the region between CH{sub 3}CHO and (CH{sub 3}){sub 2}CO, which spans a PA range of approximately 12 kcal/mol. More than 300 separate equilibrium measurements have been carried out to date over the temperature range 240--395 C. The thermochemical region under study creates a bridge between the so-called upper and lower PA scales, and includes two primary reference standards, CH{sub 3}CHO and i-C{sub 4}H{sub 8}, with PA`s independently defined elsewhere via photoionization techniques.

  1. A fluorimetric readout reporting the kinetics of nucleotide-induced human ribonucleotide reductase oligomerization.

    Science.gov (United States)

    Fu, Yuan; Lin, Hong-Yu; Wisitpitthaya, Somsinee; Blessing, William A; Aye, Yimon

    2014-11-24

    Human ribonucleotide reductase (hRNR) is a target of nucleotide chemotherapeutics in clinical use. The nucleotide-induced oligomeric regulation of hRNR subunit α is increasingly being recognized as an innate and drug-relevant mechanism for enzyme activity modulation. In the presence of negative feedback inhibitor dATP and leukemia drug clofarabine nucleotides, hRNR-α assembles into catalytically inert hexameric complexes, whereas nucleotide effectors that govern substrate specificity typically trigger α-dimerization. Currently, both knowledge of and tools to interrogate the oligomeric assembly pathway of RNR in any species in real time are lacking. We therefore developed a fluorimetric assay that reliably reports on oligomeric state changes of α with high sensitivity. The oligomerization-directed fluorescence quenching of hRNR-α, covalently labeled with two fluorophores, allows for direct readout of hRNR dimeric and hexameric states. We applied the newly developed platform to reveal the timescales of α self-assembly, driven by the feedback regulator dATP. This information is currently unavailable, despite the pharmaceutical relevance of hRNR oligomeric regulation.

  2. Onsager reciprocity principle for kinetic models and kinetic schemes

    CERN Document Server

    Mahendra, Ajit Kumar

    2013-01-01

    Boltzmann equation requires some alternative simpler kinetic model like BGK to replace the collision term. Such a kinetic model which replaces the Boltzmann collision integral should preserve the basic properties and characteristics of the Boltzmann equation and comply with the requirements of non equilibrium thermodynamics. Most of the research in development of kinetic theory based methods have focused more on entropy conditions, stability and ignored the crucial aspect of non equilibrium thermodynamics. The paper presents a new kinetic model formulated based on the principles of non equilibrium thermodynamics. The new kinetic model yields correct transport coefficients and satisfies Onsager's reciprocity relationship. The present work also describes a novel kinetic particle method and gas kinetic scheme based on this linkage of non-equilibrium thermodynamics and kinetic theory. The work also presents derivation of kinetic theory based wall boundary condition which complies with the principles of non-equili...

  3. Formation and properties of silicon/fluorite heterostructures. Final report, June 1, 1994--May 31, 1997

    Energy Technology Data Exchange (ETDEWEB)

    Olmstead, M.A.

    1997-10-01

    Our primary goal during the previous support periods was to determine the interrelationship among the structure of the CaF{sub 2}/Si interface, the growth kinetics, the structure and morphology of the overlying film, and the intrinsic dielectric properties of the interface itself. The experiments were designed (i) to determine the CaF{sub 2} overlayer structure and morphology as a function of kinetic conditions [Den93a, Den93b, Won93, Den95, Hes95], (ii) to develop and test models explaining the observed structures [Den95, Hes95], (iii) to investigate the stability of the interface structure [Les97] and (iv) to determine and interpret the photoelectron kinetic energy distributions as a function of the emitting atom location [Rot93, Rot94, Rot96]. As summarized below, we were successful in accomplishing these experiments and in largely fulfilling our original goal.

  4. Small changes for long term impact : optimization of structure kinetic properties : a case of CCR2 antagonists

    NARCIS (Netherlands)

    Vilums, Maris

    2014-01-01

    This thesis focuses on a new approach in drug discovery, the so-called drug-target residence time. Next to more traditional drug discovery efforts, which are based on structure-affinity relationships, this thesis describes the use of an additional parameter – the structure-kinetic relationships.

  5. Electrode Properties of Sr-Doped LaMnO3 on Yttria-Stabilized Zirconia II: Electrode kinetics

    NARCIS (Netherlands)

    Heuveln, van F.H.; Bouwmeester, H.J.M.

    1997-01-01

    A series of six cathodes Sr0.15La0.85MnO3 (SLM) on yttria-stabilized zirconia with different morphology of the electrode/electrolyte interface were characterized by ac impedance and dc polarization measurements. It is found that the electrode kinetics at elevated temperature (945°C) are governed by

  6. Kinetic properties of two Rhizopus exo-polygalacturonase enzymes hydrolyzing galacturonic acid oligomers using isothermal titration calorimetry

    Science.gov (United States)

    The kinetic characteristics of two Rhizopus oryzae exo-polygalacturonases acting on galacturonic acid oligomers (GalpA) were determined using isothermal titration calorimetry (ITC). RPG15 hydrolyzing (GalpA)2 demonstrated a Km of 55 uM and kcat of 10.3 s^-1^ while RPG16 was shown to have greater af...

  7. Collagen thermal denaturation study for thermal angioplasty based on modified kinetic model: relation between the artery mechanical properties and collagen denaturation rate

    Science.gov (United States)

    Shimazaki, N.; Hayashi, T.; Kunio, M.; Arai, T.

    2010-02-01

    We have been developing the novel short-term heating angioplasty in which sufficient artery lumen-dilatation was attained with thermal softening of collagen fiber in artery wall. In the present study, we investigated on the relation between the mechanical properties of heated artery and thermal denaturation fractures of arterial collagen in ex vivo. We employed Lumry-Eyring model to estimate temperature- and time-dependent thermal denaturation fractures of arterial collagen fiber during heating. We made a kinetic model of arterial collagen thermal denaturation by adjustment of K and k in this model, those were the equilibrium constant of reversible denaturation and the rate constant of irreversible denaturation. Meanwhile we demonstrated that the change of reduced scattering coefficient of whole artery wall during heating reflected the reversible denaturation of the collagen in artery wall. Based on this phenomenon, the K was determined experimentally by backscattered light intensity measurement (at 633nm) of extracted porcine carotid artery during temperature elevation and descending (25°C-->80°C-->25°C). We employed the value of according to our earlier report in which the time-and temperature- dependent irreversible denaturation amount of the artery collagen fiber that was assessed by the artery birefringence. Then, the time- and temperature- dependent reversible (irreversible) denaturation fraction defined as the reversible ((irreversible) denatured collagen amount) / (total collagen amount) was calculated by the model. Thermo-mechanical analysis of artery wall was performed to compare the arterial mechanical behaviors (softening, shrinkage) during heating with the calculated denaturation fraction with the model. In any artery temperature condition in 70-80°, the irreversible denaturation fraction at which the artery thermal shrinkage started was estimated to be around 20%. On the other hand, the calculated irreversible denaturation fraction remained below

  8. Poly(butylene terephthalate)/montmorillonite nanocomposites: Effect of montmorillonite on the morphology, crystalline structure, isothermal crystallization kinetics and mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Kalkar, Arun K., E-mail: drarunkalkar@gmail.com; Deshpande, Vineeta D.; Vatsaraj, Bhakti S.

    2013-09-20

    Graphical abstract: - Highlights: • Effect of amount of clay content, its dispersion on crystalline structure of PBT. • Regime break temperature shifts to lower temperature for PCN4 up to 197 °C. • Tensile modulus enhanced up to 95% for PCN3 compared to PBT. - Abstract: Nanocomposites (PCNs), based on poly(butylene terephthalte) (PBT) and organoclay (Cloisite-15A) MMT were prepared by melt intercalation compounding process. The nanoscale dispersion and the microcrystal structure studied qualitatively using; X-ray diffraction (XRD) and electron microscopy (SEM, TEM and AFM). The XRD results indicated that the crystal size is highly dependent on the crystallization temperature. The isothermal crystallization kinetics of PBT in PCNs analysis indicated that the overall crystallization of PBT involved heterogeneous nucleated three-dimensional spherical primary crystallization growth process. The crystallization rate, however, is dependent on the PCN-composition, crystallization temperature and the dispersion state of clay in PCNs. Further analysis, based on Hoffman-Lauritzen theory revealed that the neat PBT and PBT in PCNs crystallization follow regime-II kinetics for temperature 195 °C–205 °C and enters the regime-III kinetics in lower T{sub c} range, 185 °C–195 °C. The improvement in mechanical properties is highly dependent on the level of clay exfoliation in PBT matrix.

  9. Kinetic Measurements for Enzyme Immobilization.

    Science.gov (United States)

    Cooney, Michael J

    2017-01-01

    Enzyme kinetics is the study of the chemical reactions that are catalyzed by enzymes, with a focus on their reaction rates. The study of an enzyme's kinetics considers the various stages of activity, reveals the catalytic mechanism of this enzyme, correlates its value to assay conditions, and describes how a drug or a poison might inhibit the enzyme. Victor Henri initially reported that enzyme reactions were initiated by a bond between the enzyme and the substrate. By 1910, Michaelis and Menten were advancing their work by studying the kinetics of an enzyme saccharase which catalyzes the hydrolysis of sucrose into glucose and fructose. They published their analysis and ever since the Michaelis-Menten equation has been used as the standard to describe the kinetics of many enzymes. Unfortunately, soluble enzymes must generally be immobilized to be reused for long times in industrial reactors. In addition, other critical enzyme properties have to be improved like stability, activity, inhibition by reaction products, and selectivity towards nonnatural substrates. Immobilization is by far the chosen process to achieve these goals.Although the Michaelis-Menten approach has been regularly adapted to the analysis of immobilized enzyme activity, its applicability to the immobilized state is limited by the barriers the immobilization matrix places upon the measurement of compounds that are used to model enzyme kinetics. That being said, the estimated value of the Michaelis-Menten coefficients (e.g., V max, K M) can be used to evaluate effects of immobilization on enzyme activity in the immobilized state when applied in a controlled manner. In this review enzyme activity and kinetics are discussed in the context of the immobilized state, and a few novel protocols are presented that address some of the unique constraints imposed by the immobilization barrier.

  10. Science Data Report for the Optical Properties Monitor (OPM) Experiment

    Science.gov (United States)

    Wilkes, D. R.; Zwiener, J. M.; Carruth, Ralph (Technical Monitor)

    2001-01-01

    This science data report describes the Optical Properties Monitor (OPM) experiment and the data gathered during its 9-mo exposure on the Mir space station. Three independent optical instruments made up OPM: an integrating sphere spectral reflectometer, vacuum ultraviolet spectrometer, and a total integrated scatter instrument. Selected materials were exposed to the low-Earth orbit, and their performance monitored in situ by the OPM instruments. Coinvestigators from four NASA Centers, five International Space Station contractors, one university, two Department of Defense organizations, and the Russian space company, Energia, contributed samples to this experiment. These materials included a number of thermal control coatings, optical materials, polymeric films, nanocomposites, and other state-of-the-art materials. Degradation of some materials, including aluminum conversion coatings and Beta cloth, was greater than expected. The OPM experiment was launched aboard the Space Shuttle on mission STS-81 in January 1997 and transferred to the Mir space station. An extravehicular activity (EVA) was performed in April 1997 to attach the OPM experiment to the outside of the Mir/Shuttle Docking Module for space environment exposure. OPM was retrieved during an EVA in January 1998 and was returned to Earth on board the Space Shuttle on mission STS-89.

  11. Kinetics modeling and interpretation of experimental results for XeF. Annual report, December 1985--November 1986

    Energy Technology Data Exchange (ETDEWEB)

    Salesky, E.T. [North East Research Associates, Inc., Woburn, MA (United States)

    1986-12-31

    In this report the author presents a detailed discussion of a computer model of the electron beam pumped XeF laser which was developed for Los Alamos National Laboratory during FY86. In its present form, it should provide useful modeling and scaling of XeF laser experiments currently of interest. Additional modifications will be required for long pulse (t{sub P}>5{mu}sec) simulations. The model includes all of the important energy transport processes which contribute to the formation and quenching of XeF in the B-state (upper laser level), X-state (lower laser level), C-state (which mixes with the B-state as a loss mechanism), and the unbound (repulsive) A-state to which the C-state decays. The gain of the B to X transition is resolved for the three most important laser (vibrational) lines: (0-3) at 353 nm, (0-2) and (1-4) at 351 nm. This report describes the kinetics model and computer code for electron beam pumped XeF lasers which use gas mixtures composed of argon (the buffer), xenon, and fluorine. The temperatures, energy flow, and chemistry (plasma and neutral) are calculated in a self-consistent manner; balances of energy, matter, and charge are tracked by the code and output with each print cycle. The model includes the time history of all of the important absorbers: Ar{sub 2}{sup +}, Xe{sub 2}{sup +}, Ar{sup *} and Xe{sup *} (s and p states), F{sub 2}, F{sup {minus}}, and Xe{sub 2}F{sup *}. Energy extraction in the form of lasing is computed using a modified Rigrod analysis which treats multiline lasing. This extraction model assumes a spatially uniform laser flux and is therefore a one dimensional (in time) treatment. The more general extraction model which treats non-uniform spatial effects (laser flux and pumping by a non-uniform electron beam) is being developed, and will be integrated with excimer model in the FY87 reporting period. The computer code was written in FORTRAN77 on a DEC MICROVAX II which uses the VAX/VMS operating system.

  12. Psychometric properties of patient-reported outcome measures for hip arthroscopic surgery

    DEFF Research Database (Denmark)

    Kemp, Joanne L; Collins, Natalie J; Roos, Ewa M.

    2013-01-01

    Patient-reported outcomes (PROs) are considered the gold standard when evaluating outcomes in a surgical population. While the psychometric properties of some PROs have been tested, the properties of newer PROs in patients undergoing hip arthroscopic surgery remain somewhat unknown.......Patient-reported outcomes (PROs) are considered the gold standard when evaluating outcomes in a surgical population. While the psychometric properties of some PROs have been tested, the properties of newer PROs in patients undergoing hip arthroscopic surgery remain somewhat unknown....

  13. Kinetic Atom.

    Science.gov (United States)

    Wilson, David B.

    1981-01-01

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

  14. Predicting the Kinetic Properties Associated with Redox Imbalance after Oxidative Crisis in G6PD-Deficient Erythrocytes: A Simulation Study

    Directory of Open Access Journals (Sweden)

    Hanae Shimo

    2011-01-01

    Full Text Available It is well known that G6PD-deficient individuals are highly susceptible to oxidative stress. However, the differences in the degree of metabolic alterations among patients during an oxidative crisis have not been extensively studied. In this study, we applied mathematical modeling to assess the metabolic changes in erythrocytes of various G6PD-deficient patients during hydrogen peroxide- (H2O2- induced perturbation and predict the kinetic properties that elicit redox imbalance after exposure to an oxidative agent. Simulation results showed a discrepancy in the ability to restore regular metabolite levels and redox homeostasis among patients. Two trends were observed in the response of redox status (GSH/GSSG to oxidative stress, a mild decrease associated with slow recovery and a drastic decline associated with rapid recovery. The former was concluded to apply to patients with severe clinical symptoms. Low max and high mG6P of G6PD were shown to be kinetic properties that enhance consequent redox imbalance.

  15. Effect of Span 60 on the Microstructure, Crystallization Kinetics, and Mechanical Properties of Stearic Acid Oleogels: An In-Depth Analysis.

    Science.gov (United States)

    Uvanesh, K; Sagiri, S S; Senthilguru, K; Pramanik, K; Banerjee, I; Anis, Arfat; Al-Zahrani, S M; Pal, Kunal

    2016-02-01

    Modulation of crystallization of stearic acid and its derivatives is important for tuning the properties of stearate oleogels. The present study delineates the crystallization of stearic acid in stearate oleogels in the presence of Span 60. Microarchitecture analysis revealed that stearic acid crystals in the oleogels changed its shape from plate-like structure to a branched architecture in the presence of Span 60. Consequently, a significant variation in the mobility of the solute molecules inside the oleogel (Fluorescence recovery after photobleaching studies, FRAP analysis) was observed. Thermal analysis (gelation kinetics and DSC) revealed shortening of nucleation induction time and secondary crystallization with an increase in the Span 60 concentration. Furthermore, isosolid diagram suggested better physical stability of the formulations at higher proportions of Span 60. XRD analysis indicated that there was a decrease in the crystal size and the crystallinity of the stearic acid crystals with an increase in Span 60 concentration in the Span 60 containing oleogels. However, crystal growth orientation was unidirectional and found unaltered with Span 60 concentration (Avarmi analysis using DSC data). The mechanical study indicated a composition-dependent variation in the viscoelastic properties (instantaneous [τ1 ], intermediate [τ2 ], and delayed [τ3 ] relaxation times) of the formulations. In conclusion, Span 60 can be used to alter the kinetics of the crystallization, crystal habit and crystal structure of stearic acid. This study provides a number of clues that could be used further for developing oleogel based formulation.

  16. The effect of polymer matrices on the thermal hazard properties of RDX-based PBXs by using model-free and combined kinetic analysis.

    Science.gov (United States)

    Yan, Qi-Long; Zeman, Svatopluk; Sánchez Jiménez, P E; Zhao, Feng-Qi; Pérez-Maqueda, L A; Málek, Jiří

    2014-04-30

    In this paper, the decomposition reaction models and thermal hazard properties of 1,3,5-trinitro-1,3,5-triazinane (RDX) and its PBXs bonded by Formex P1, Semtex 1A, C4, Viton A and Fluorel polymer matrices have been investigated based on isoconversional and combined kinetic analysis methods. The established kinetic triplets are used to predict the constant decomposition rate temperature profiles, the critical radius for thermal explosion and isothermal behavior at a temperature of 82°C. It has been found that the effect of the polymer matrices on the decomposition mechanism of RDX is significant resulting in very different reaction models. The Formex P1, Semtex and C4 could make decomposition process of RDX follow a phase boundary controlled reaction mechanism, whereas the Viton A and Fluorel make its reaction model shifts to a two dimensional Avrami-Erofeev nucleation and growth model. According to isothermal simulations, the threshold cook-off time until loss of functionality at 82°C for RDX-C4 and RDX-FM is less than 500 days, while it is more than 700 days for the others. Unlike simulated isothermal curves, when considering the charge properties and heat of decomposition, RDX-FM and RDX-C4 are better than RDX-SE in storage safety at arbitrary surrounding temperature. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. ADMET evaluation in drug discovery. 11. PharmacoKinetics Knowledge Base (PKKB): a comprehensive database of pharmacokinetic and toxic properties for drugs.

    Science.gov (United States)

    Cao, Dongyue; Wang, Junmei; Zhou, Rui; Li, Youyong; Yu, Huidong; Hou, Tingjun

    2012-05-25

    Good and extensive experimental ADMET (absorption, distribution, metabolism, excretion, and toxicity) data is critical for developing reliable in silico ADMET models. Here we develop a PharmacoKinetics Knowledge Base (PKKB) to compile comprehensive information about ADMET properties into a single electronic repository. We incorporate more than 10 000 experimental ADMET measurements of 1685 drugs into the PKKB. The ADMET properties in the PKKB include octanol/water partition coefficient, solubility, dissociation constant, intestinal absorption, Caco-2 permeability, human bioavailability, plasma protein binding, blood-plasma partitioning ratio, volume of distribution, metabolism, half-life, excretion, urinary excretion, clearance, toxicity, half lethal dose in rat or mouse, etc. The PKKB provides the most extensive collection of freely available data for ADMET properties up to date. All these ADMET properties, as well as the pharmacological information and the calculated physiochemical properties are integrated into a web-based information system. Eleven separated data sets for octanol/water partition coefficient, solubility, blood-brain partitioning, intestinal absorption, Caco-2 permeability, human oral bioavailability, and P-glycoprotein inhibitors have been provided for free download and can be used directly for ADMET modeling. The PKKB is available online at http://cadd.suda.edu.cn/admet.

  18. Heterogeneous kinetics of coal gasification. Quarterly technical progress report, 1 May 1982-31 July 1982. [Equipment design

    Energy Technology Data Exchange (ETDEWEB)

    Calo, J.M.

    1982-08-01

    During the reporting period significant progress was made on two fronts: (1) the steam addition system for transient steam-char kinetic experiments; and (2) the automated data acquisition system for rapid mass programming (control) of the mass spectrometer and data logging. Steam Addition System: Although it is a relatively straightforward matter to produce steam for the reactor, we found that it is quite a challenge to develop a system capable of maintaining a steady and accurately-known flow rate of steam-argon mixtures at high pressure and temperature in alternate flow circuits (i.e., the reactor and purge lines), while simultaneously protecting downstream valving and instrumentation. Thus, the scheme originally proposed has been modified to eliminate potential operating problems associated with the preliminary design. Automated Data Acquisition System: Although the CO/sub 2/ gasification data were obtained manually, the ultimate objective of the project to develop a quantitative understanding of the complete gasification rate process in the complex synthesis gas milieux calls for automated programming (control) of the mass spectrometer. In addition, the current mass spectrometer signal processing technique requires the use of a lock-in amplifier to extract the modulated portion of the total signal due to the beam species only, in an analog mode. In order to allow fast scanning of a number of species, the characteristic dwell time required by the lock-in amplifier on a particular mass peak must be decreased. These requirements are being met by implementing automated mass programming and data collection, and direct digital, phase-sensitive pulse counting.

  19. Kinetic Typography

    DEFF Research Database (Denmark)

    van Leeuwen, Theo; Djonov, Emilia

    2014-01-01

    After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images.......After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images....

  20. Studies on NADPH-cytochrome c reductase. II. Steady-state kinetic properties of the crystalline enzyme from ale yeast.

    Science.gov (United States)

    Tryon, E; Kuby, S A

    1984-01-01

    From a study of the steady-state kinetics (at pH 7.6, 30 degrees C) of the reduction of cytochrome c, a 'ping-pong' mechanism may be postulated for the crystalline NADPH-cytochrome c reductase from ale yeast, Saccharomyces cerevisiae [1], a result derivable from a three-substrate ordered system with a rapid equilibrium random sequence in substrates, NADPH and FAD, followed by reactions of the third substrate, Cyt C3+. On this basis, estimates for the kinetic parameters were made together with the inhibitor dissociation constants for NADP+ (competitive with respect to NADPH as variable substrate, but noncompetitive with respect to cytochrome c3+ as the variable substrate). A noncompetitive type of inhibition was also found for cytochrome c2+ with NADPH as variable substrate, in confirmation of the proposed mechanism. With 2,6-dichloroindophenol as the acceptor, in place of cytochrome c3+, a value for KNADPH could be estimated which agreed with that estimated above, with cytochrome c3+ as the acceptor, again, in confirmation of the postulated mechanism. The reactions with molecular O2 catalyzed by the enzyme with NADPH as the reductant have been studied polarographically, and its Km for O2 estimated to be about 0.15 mmol/l at pH 7.6, 25 degrees C. The product of the reaction appears to be H2O2, which acts as a noncompetitive inhibitor for NADPH (Ki = 0.5 mmol/l), and tentatively an enzyme ternary complex containing oxygen and FADoh (semiquinone of FAD) may be assumed to be the kinetically important intermediate, which may be postulated to be in quasi-equilibrium with an enzyme ternary complex containing Oo2 (superoxide) and FAD.

  1. Electrode Properties of Sr-Doped LaMnO3 on Yttria-Stabilized Zirconia II: Electrode kinetics

    OpenAIRE

    Heuveln, van, J.J.; Bouwmeester, H. J. M.

    1997-01-01

    A series of six cathodes Sr0.15La0.85MnO3 (SLM) on yttria-stabilized zirconia with different morphology of the electrode/electrolyte interface were characterized by ac impedance and dc polarization measurements. It is found that the electrode kinetics at elevated temperature (945°C) are governed by two serial processes. An activation process can be identified to occur at high cathodic overpotential, whereas a transport process competes with charge-transfer at comparatively low overpotential. ...

  2. Heterogeneous kinetics of coal gasification. Final technical report, 1 August 1981-31 July 1983. [Berty type

    Energy Technology Data Exchange (ETDEWEB)

    Calo, J.M.; Sy, O.; Ganapathi, R.; Ellison, S.E.

    1984-10-01

    The primary objective of this work was the development and application of an experimental approach to the determination of intrinsic chemical kinetic mechanisms of char-gas reaction systems, and the measurement of the resultant rate parameters in a manner designed to avoid many of the problems, ambiguities, and seeming contradiction that have beset much of the previous work in this area (attributable mostly to the challenging complexities of these heterogeneous reaction systems). The work described herein accomplishes this objective in establishing the advantages of the transient kinetic approach over other techniques used for the study of char-gas reaction systems, and has resulted in a novel prototype apparatus that can be applied to measurements in this area. The efficacy of the transient kinetic approach is clearly demonstrated with CO/sub 2/ gasification studies of various chars. A simple two-step mechanism was found to adequately describe the dynamic behavior of the CO product of this reaction system over the entire range of experimental conditions examined. The degree to which the apparent reaction rate is influenced by transport gradients has been thoroughly analyzed. It was found that an important aspect in determining the parameter values for these heterogeneous kinetic mechanisms involves careful selection and application of multiparameter estimation schemes. The work performed under this project represents a new approach to attacking questions concerning the heterogeneous kinetics of char gasification systems. The potential of this approach for obtaining more complete information on these systems has been fully demonstrated. 103 references, 95 figures, 8 tables.

  3. Habitat Evaluation Procedures Report; Carl Property - Yakama Nation.

    Energy Technology Data Exchange (ETDEWEB)

    Ashley, Paul; Muse, Anthony

    2008-02-01

    A baseline habitat evaluation procedures (HEP) analysis was conducted on the Carl property (160 acres) in June 2007 to determine the number of habitat units to credit Bonneville Power Administration (BPA) for providing funds to acquire the property as partial mitigation for habitat losses associated with construction of McNary Dam. HEP surveys also helped assess the general ecological condition of the property. The Carl property appeared damaged from livestock grazing and exhibited a high percentage of invasive forbs. Exotic grasses, while present, did not comprise a large percentage of the available cover in most areas. Cover types were primarily grassland/shrubsteppe with a limited emergent vegetation component. Baseline HEP surveys generated 356.11 HUs or 2.2 HUs per acre. Habitat units were associated with the following HEP models: California quail (47.69 HUs), western meadowlark (114.78 HUs), mallard (131.93 HUs), Canada goose (60.34 HUs), and mink (1.38 HUs).

  4. Habitat Evaluation Procedures Report; Graves Property - Yakama Nation.

    Energy Technology Data Exchange (ETDEWEB)

    Ashley, Paul; Muse, Anthony

    2008-02-01

    A habitat evaluation procedures (HEP) analysis was conducted on the Graves property (140 acres) in June 2007 to determine the number of habitat units to credit Bonneville Power Administration (BPA) for providing funds to acquire the property as partial mitigation for habitat losses associated with construction of McNary Dam. HEP surveys also documented the general ecological condition of the property. The Graves property was significantly damaged from past/present livestock grazing practices. Baseline HEP surveys generated 284.28 habitat units (HUs) or 2.03 HUs per acre. Of these, 275.50 HUs were associated with the shrubsteppe/grassland cover type while 8.78 HUs were tied to the riparian shrub cover type.

  5. Preparation, characterization, non-isothermal reaction kinetics, thermodynamic properties, and safety performances of high nitrogen compound: Hydrazine 3-nitro-1,2,4-triazol-5-one complex

    Energy Technology Data Exchange (ETDEWEB)

    Yi Jianhua [Xi' an Modern Chemistry Research Institute, Xi' an 710065 (China); Zhao Fengqi [Xi' an Modern Chemistry Research Institute, Xi' an 710065 (China)], E-mail: yiren@nwu.edu.cn; Gao Hongxu; Xu Siyu; Wang Minchang; Hu Rongzu [Xi' an Modern Chemistry Research Institute, Xi' an 710065 (China)

    2008-05-01

    A new high nitrogen compound hydrazine 3-nitro-1,2,4-triazol-5-one complex (HNTO) was prepared by the reaction of 3-nitro-1,2,4-triazol-5-one with hydrazine hydrate, and its structure was characterized by means of organic elemental analyzer, FT-IR, XRD, {sup 13}C NMR and {sup 15}N NMR. The non-isothermal reaction kinetics of the main exothermic decomposition reaction of HNTO was investigated by means of DSC. The thermodynamic properties of HNTO were calculated. The results showed that the formation of HNTO is achieved by proton transfer of N(4) atom, and it makes a higher nitrogen content and lower acidity. The reaction mechanism of HNTO is classified as nucleation and growth, and the mechanism function is Avramo-Erofeev equation with n = 2/5. The kinetic parameters of the reaction are E{sub a} = 195.29 kJ mol{sup -1}, lg(A (s{sup -1})) = 19.37, respectively. The kinetic equation can be expressed as: (d{alpha})/(dt) =10{sup 18.97}(1-{alpha})[-ln(1-{alpha})]{sup 3/5}e{sup -2.35x10{sup 4}/T} The safety performances of HNTO were carried out. The critical temperature of thermal explosion are 464.26 and 474.37 K, the adiabatic time-to-explosion is 262 s, the impact sensitivity H{sub 50} = 45.7 cm, the friction sensitivity P = 20% and the electrostatic spark sensitivity E{sub 50} > 5.4 J (no ignition). It shows that HNTO has an insensitive nature as RDX and NTO, etc.

  6. Thermodynamic and kinetic properties of amino-terminal and S4-S5 loop HERG channel mutants under steady-state conditions.

    Science.gov (United States)

    Alonso-Ron, Carlos; de la Peña, Pilar; Miranda, Pablo; Domínguez, Pedro; Barros, Francisco

    2008-05-15

    Gating kinetics and underlying thermodynamic properties of human ether-a-go-go-related gene (HERG) K(+) channels expressed in Xenopus oocytes were studied using protocols able to yield true steady-state kinetic parameters. Channel mutants lacking the initial 16 residues of the amino terminus before the conserved eag/PAS region showed significant positive shifts in activation voltage dependence associated with a reduction of z(g) values and a less negative DeltaG(o), indicating a deletion-induced displacement of the equilibrium toward the closed state. Conversely, a negative shift and an increased DeltaG(o), indicative of closed-state destabilization, were observed in channels lacking the amino-terminal proximal domain. Furthermore, accelerated activation and deactivation kinetics were observed in these constructs when differences in driving force were considered, suggesting that the presence of distal and proximal amino-terminal segments contributes in wild-type channels to specific chemical interactions that raise the energy barrier for activation. Steady-state characteristics of some single point mutants in the intracellular loop linking S4 and S5 helices revealed a striking parallelism between the effects of these mutations and those of the amino-terminal modifications. Our data indicate that in addition to the recognized influence of the initial amino-terminus region on HERG deactivation, this cytoplasmic region also affects activation behavior. The data also suggest that not only a slow movement of the voltage sensor itself but also delaying its functional coupling to the activation gate by some cytoplasmic structures possibly acting on the S4-S5 loop may contribute to the atypically slow gating of HERG.

  7. 48 CFR 3045.505 - Records and reports of Government property.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 7 2010-10-01 2010-10-01 false Records and reports of Government property. 3045.505 Section 3045.505 Federal Acquisition Regulations System DEPARTMENT OF HOMELAND SECURITY, HOMELAND SECURITY ACQUISITION REGULATION (HSAR) CONTRACT MANAGEMENT GOVERNMENT PROPERTY Management of Government Property in...

  8. The Property Tax in New York State: Condition Report Prepared for the Education Finance Research Consortium

    Science.gov (United States)

    Ward, Robert B.; Dadayan, Lucy

    2008-01-01

    New York's property tax is often criticized as burdensome and inequitable. This report analyzes changes in the property tax from 1993-2006 to assess its impact across regions, property classes and ability to pay. The study examines both statewide trends and variations in trends among local school districts, as well as the role of the School Tax…

  9. EI of the Phosphotransferase System of Escherichia coli: Mathematical Modeling Approach to Analysis of Its Kinetic Properties

    Directory of Open Access Journals (Sweden)

    T. A. Karelina

    2011-01-01

    Full Text Available The mathematical model of the operation of the first enzyme of the Escherichia coli phosphotransferase system, EI, is proposed. Parameters of the kinetic model describing the operation of EI under different conditions are identified on the basis of a large amount of known experimental data. The verified model is employed to predict modes of operation of EI under both in vivo physiological conditions and in vitro nonphysiological conditions. The model predicts that under in vivo physiological conditions, the rate of phosphotransfer from EI to the second protein of the phosphotransferase system HPr by the dimer is much higher than by the monomer. A hypothesis is proposed on the basis of calculations that the transfer by a monomer plays a role in the regulation of chemotaxis. At submicromolar pyruvate concentration, the model predicts nonmonotonic dependence of the phosphotransfer rate on the substrate (PEP concentration.

  10. Synthesis, molecular docking and kinetic properties of β-hydroxy-β-phenylpropionyl-hydroxamic acids as Helicobacter pylori urease inhibitors.

    Science.gov (United States)

    Xiao, Zhu-Ping; Peng, Zhi-Yun; Dong, Jing-Jun; Deng, Rui-Cheng; Wang, Xu-Dong; Ouyang, Hui; Yang, Pan; He, Juan; Wang, Yuan-Feng; Zhu, Man; Peng, Xiao-Chun; Peng, Wan-Xi; Zhu, Hai-Liang

    2013-10-01

    Inhibition of urease results in Helicobacter pylori growth arrest in the stomach, promoting urease as promising targets for gastrointestinal ulcer therapy. Twenty hybrid derivatives of flavonoid scaffold and hydroxamic acid, β-hydroxy-β-phenylpropionylhydroxamic acids, were therefore synthesized and evaluated against H. pylori urease. Biological evaluation of these compounds showed improved urease inhibition exhibiting micromolar to mid-nanomolar IC50 values. Most importantly, 3-(3-chlorophenyl)-3-hydroxypropionyl-hydroxamic acid (6g) exhibited high potency with IC50 of 0.083±0.004 μM and Ki of 0.014±0.003 μM, indicating that 6g is an excellent candidate to develop novel antiulcer agent. A mixture of competitive and uncompetitive mechanism was putatively proposed to understand the inconsistency between the crystallographic and kinetic studies for the first time, which is supported by our molecular docking studies.

  11. Drag force and transport property of a small cylinder in free molecule flow: A gas-kinetic theory analysis

    Science.gov (United States)

    Liu, Changran; Li, Zhigang; Wang, Hai

    2016-08-01

    Analytical expressions are derived for aerodynamic drag force on small cylinders in the free molecule flow using the gas-kinetic theory. The derivation considers the effect of intermolecular interactions between the cylinder and gas media. Two limiting collision models, specular and diffuse scattering, are investigated in two limiting cylinder orientations with respect to the drift velocity. The earlier solution of Dahneke [B. E. Dahneke, J. Aerosol Sci. 4, 147 (1973), 10.1016/0021-8502(73)90066-9] is shown to be a special case of the current expressions in the rigid-body limit of collision. Drag force expressions are obtained for cylinders that undergo Brownian rotation and for those that align with the drift velocity. The validity of the theoretical expressions is tested against experimental mobility data available for carbon nanotubes.

  12. Kinetic properties of 'dual' orexin receptor antagonists at OX1R and OX2R orexin receptors.

    Directory of Open Access Journals (Sweden)

    Gabrielle Elizabeth Callander

    2013-12-01

    Full Text Available Orexin receptor antagonists represent attractive targets for the development of drugs for the treatment of insomnia. Both efficacy and safety are crucial in clinical settings and thorough investigations of pharmacokinetics and pharmacodynamics can predict contributing factors such as duration of action and undesirable effects. To this end, we studied the interactions between various ‘dual’ orexin receptor antagonists and the orexin receptors, OX1R and OX2R, over time using saturation and competition radioligand binding with [3H]-BBAC ((S-N-([1,1'-biphenyl]-2-yl-1-(2-((1-methyl-1H-benzo[d]imidazol-2-ylthioacetylpyrrolidine-2-carboxamide. In addition, the kinetics of these compounds were investigated in cells expressing human, mouse and rat OX1R and OX2R using FLIPR® assays for calcium accumulation. We demonstrate that almorexant reaches equilibrium very slowly at OX2R, whereas SB-649868, suvorexant and filorexant may take hours to reach steady state at both orexin receptors. By contrast, compounds such as BBAC or the selective OX2R antagonist IPSU ((2-((1H-Indol-3-ylmethyl-9-(4-methoxypyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one bind rapidly and reach equilibrium very quickly in both binding and / or functional assays. Overall, the dual antagonists tested here tend to be rather unselective under non-equilibrium conditions and reach equilibrium very slowly. Once equilibrium is reached, each ligand demonstrates a selectivity profile that is however, distinct from the non-equilibrium condition. The slow kinetics of the dual antagonists tested suggest that in vitro receptor occupancy may be longer lasting than would be predicted. This raises questions as to whether pharmacokinetic studies measuring plasma or brain levels of these antagonists are accurate reflections of receptor occupancy in vivo.

  13. Phase-field Model for Interstitial Loop Growth Kinetics and Thermodynamic and Kinetic Models of Irradiated Fe-Cr Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yulan; Hu, Shenyang Y.; Sun, Xin; Khaleel, Mohammad A.

    2011-06-15

    Microstructure evolution kinetics in irradiated materials has strongly spatial correlation. For example, void and second phases prefer to nucleate and grow at pre-existing defects such as dislocations, grain boundaries, and cracks. Inhomogeneous microstructure evolution results in inhomogeneity of microstructure and thermo-mechanical properties. Therefore, the simulation capability for predicting three dimensional (3-D) microstructure evolution kinetics and its subsequent impact on material properties and performance is crucial for scientific design of advanced nuclear materials and optimal operation conditions in order to reduce uncertainty in operational and safety margins. Very recently the meso-scale phase-field (PF) method has been used to predict gas bubble evolution, void swelling, void lattice formation and void migration in irradiated materials,. Although most results of phase-field simulations are qualitative due to the lake of accurate thermodynamic and kinetic properties of defects, possible missing of important kinetic properties and processes, and the capability of current codes and computers for large time and length scale modeling, the simulations demonstrate that PF method is a promising simulation tool for predicting 3-D heterogeneous microstructure and property evolution, and providing microstructure evolution kinetics for higher scale level simulations of microstructure and property evolution such as mean field methods. This report consists of two parts. In part I, we will present a new phase-field model for predicting interstitial loop growth kinetics in irradiated materials. The effect of defect (vacancy/interstitial) generation, diffusion and recombination, sink strength, long-range elastic interaction, inhomogeneous and anisotropic mobility on microstructure evolution kinetics is taken into account in the model. The model is used to study the effect of elastic interaction on interstitial loop growth kinetics, the interstitial flux, and sink

  14. 48 CFR 945.102-70 - Reporting of contractor-held property.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Reporting of contractor-held property. 945.102-70 Section 945.102-70 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACT MANAGEMENT GOVERNMENT PROPERTY General 945.102-70 Reporting of contractor-held...

  15. Kinetics and thermodynamics of living copolymerization processes.

    Science.gov (United States)

    Gaspard, Pierre

    2016-11-13

    Theoretical advances are reported on the kinetics and thermodynamics of free and template-directed living copolymerizations. Until recently, the kinetic theory of these processes had only been established in the fully irreversible regime, in which the attachment rates are only considered. However, the entropy production is infinite in this regime and the approach to thermodynamic equilibrium cannot be investigated. For this purpose, the detachment rates should also be included. Inspite of this complication, the kinetics can be exactly solved in the regimes of steady growth and depolymerization. In this way, analytical expressions are obtained for the mean growth velocity, the statistical properties of the copolymer sequences, as well as the thermodynamic entropy production. The results apply to DNA replication, transcription and translation, allowing us to understand important aspects of molecular evolution.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

  16. Kinetics and thermodynamics of living copolymerization processes

    Science.gov (United States)

    Gaspard, Pierre

    2016-11-01

    Theoretical advances are reported on the kinetics and thermodynamics of free and template-directed living copolymerizations. Until recently, the kinetic theory of these processes had only been established in the fully irreversible regime, in which the attachment rates are only considered. However, the entropy production is infinite in this regime and the approach to thermodynamic equilibrium cannot be investigated. For this purpose, the detachment rates should also be included. Inspite of this complication, the kinetics can be exactly solved in the regimes of steady growth and depolymerization. In this way, analytical expressions are obtained for the mean growth velocity, the statistical properties of the copolymer sequences, as well as the thermodynamic entropy production. The results apply to DNA replication, transcription and translation, allowing us to understand important aspects of molecular evolution. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.

  17. Physiochemical properties and kinetics of glucoamylase produced from deoxy-d-glucose resistant mutant of Aspergillus niger for soluble starch hydrolysis.

    Science.gov (United States)

    Riaz, Muhammad; Rashid, Muhammad Hamid; Sawyer, Lindsay; Akhtar, Saeed; Javed, Muhammad Rizwan; Nadeem, Habibullah; Wear, Martin

    2012-01-01

    Glucoamylases (GAs) from a wild and a deoxy-d-glucose-resistant mutant of a locally isolated Aspergillus niger were purified to apparent homogeneity. The subunit molecular mass estimated by SDS-PAGE was 93 kDa for both strains, while the molecular masses determined by MALDI-TOF for wild and mutant GAs were 72.876 and 72.063 kDa, respectively. The monomeric nature of the enzymes was confirmed through activity staining. Significant improvement was observed in the kinetic properties of the mutant GA relative to the wild type enzyme. Kinetic constants of starch hydrolysis for A. niger parent and mutant GAs calculated on the basis of molecular masses determined through MALDI-TOF were as follows: kcat = 343 and 727 s(-1), Km = 0.25 and 0.16 mg mL(-1), kcat/Km (specificity constant) = 1374 and 4510 mg mL(-1) s(-1), respectively. Thermodynamic parameters for soluble starch hydrolysis also suggested that mutant GA was more efficient compared to the parent enzyme.

  18. Infrared Absorption Spectroscopy and Chemical Kinetics of Free Radicals. Final Performance Report, August 1, 1985--July 31, 1994

    Science.gov (United States)

    Curl, R. F.; Glass, G. P.

    1995-06-01

    This research was directed at the detection, monitoring, and study (by infrared absorption spectroscopy) of the chemical kinetic behavior of small free radical species thought to be important intermediates in combustion. The work typically progressed from the detection and analysis of the infrared spectrum of combustion radical to the utilization of the infrared spectrum thus obtained in the investigation of chemical kinetics of the radical species. The methodology employed was infrared kinetic spectroscopy. In this technique the radical is produced by UV flash photolysis using an excimer laser and then its transient infrared absorption is observed using a single frequency cw laser as the source of the infrared probe light. When the probe laser frequency is near the center of an absorption line of the radical produced by the flash, the transient infrared absorption rises rapidly and then decays as the radical reacts with the precursor or with substances introduced for the purpose of studying the reaction kinetics or with itself. The decay times observed in these studies varied from less than one microsecond to more than one millisecond. By choosing appropriate time windows after the flash and the average infrared detector signal in a window as data channels, the infrared spectrum of the radical may be obtained. By locking the infrared probe laser to the center of the absorption line and measuring the rate of decay of the transient infrared absorption signal as the chemical composition of the gas mixture is varied, the chemical kinetics of the radical may be investigated. In what follows the systems investigated and the results obtained are outlined.

  19. Plasma properties. Annual report, January 1, 1991--December 31, 1991

    Energy Technology Data Exchange (ETDEWEB)

    Weitzner, H

    1992-06-01

    This report discusses the following topics: MHD equilibrium and stability; MHD transport; statistical analysis; edge physics studies; wave propagation; basic plasma physics; and, space plasma physics.

  20. Salt effects on the air/solution interfacial properties of PEO-containing copolymers: equilibrium, adsorption kinetics and surface rheological behavior.

    Science.gov (United States)

    Llamas, Sara; Mendoza, Alma J; Guzmán, Eduardo; Ortega, Francisco; Rubio, Ramón G

    2013-06-15

    Lithium cations are known to form complexes with the oxygen atoms of poly(oxyethylene) chains. The effect of Li(+) on the surface properties of three block-copolymers containing poly(oxyethylene) (PEO) have been studied. Two types of copolymers have been studied, a water soluble one of the pluronic family, PEO-b-PPO-b-PEO, PPO being poly(propyleneoxyde), and two water insoluble ones: PEO-b-PS and PEO-b-PS-b-PEO, PS being polystyrene. In the case of the pluronic the adsorption kinetics, the equilibrium surface tension isotherm and the aqueous/air surface rheology have been measured, while for the two insoluble copolymers only the surface pressure and the surface rheology have been studied. In all the cases two different Li(+) concentrations have been used. As in the absence of lithium ions, the adsorption kinetics of pluronic solutions shows two processes, and becomes faster as [Li(+)] increases. The kinetics is not diffusion controlled. For a given pluronic concentration the equilibrium surface pressure increases with [Li(+)], and the isotherms show two surface phase transitions, though less marked than for [Li(+)]=0. A similar behavior was found for the equilibrium isotherms of PEO-b-PS and PEO-b-PS-b-PEO. The surface elasticity of these two copolymers was found to increase with [Li(+)] over the whole surface concentration and frequency ranges studied. A smaller effect was found in the case of the pluronic solutions. The results of the pluronic solutions were modeled using a recent theory that takes into account that the molecules can be adsorbed at the surface in two different states. The theory gives a good fit for the adsorption kinetics and a reasonably good prediction of the equilibrium isotherms for low and intermediate concentrations of pluronic. However, the theory is not able to reproduce the isotherm for [Li(+)]=0. Only a semi-quantitative prediction of the surface elasticity is obtained for [pluronic]≤1×10(-3) mM.

  1. Effect of NaCl on the spectral and kinetic properties of cresyl violet (CV)-sodium dodecyl sulphate (SDS) complex

    Indian Academy of Sciences (India)

    K I Priyadarsini; Hari Mohan

    2003-08-01

    Effect of added NaCl on the spectral and kinetic properties of cationically charged dye (cresyl violet) and anionically charged surfactant (sodium dodecyl sulphate) were studied in the pre-micellar and micellar regions. Addition of 0.2M NaCl to dye-surfactant solution decreased the critical micellar concentration for the micellization of the dye in sodium dodecyl sulphate to 1.2 × 10-3 M. Time-resolved studies using a stopped-flow spectrometer showed that NaCl influences the dynamics of micellisation. Addition of NaCl during the dye-surfactant complex formation converted the complex into micellized form at NaCl concentration of 0.01 to 0.05 M. In contrast, much higher concentration of NaCl (2 M) is required for the salting-out effect of the dye-surfactant complex for conversion to the micellized form.

  2. Composition, physicochemical properties and thermal inactivation kinetics of polyphenol oxidase and peroxidase from coconut (Cocos nucifera) water obtained from immature, mature and overly-mature coconut.

    Science.gov (United States)

    Tan, Thuan-Chew; Cheng, Lai-Hoong; Bhat, Rajeev; Rusul, Gulam; Easa, Azhar Mat

    2014-01-01

    Composition, physicochemical properties and enzyme inactivation kinetics of coconut water were compared between immature (IMC), mature (MC) and overly-mature coconuts (OMC). Among the samples studied, pH, turbidity and mineral contents for OMC water was the highest, whereas water volume, titratable acidity, total soluble solids and total phenolics content for OMC water were the lowest. Maturity was found to affect sugar contents. Sucrose content was found to increase with maturity, and the reverse trend was observed for fructose and glucose. Enzyme activity assessment showed that polyphenol oxidase (PPO) in all samples was more heat resistant than peroxidase (POD). Compared to IMC and MC, PPO and POD from OMC water showed the lowest thermal resistance, with D83.3°C=243.9s (z=27.9°C), and D83.3°C=129.9s (z=19.5°C), respectively.

  3. Comparison of the electronic properties, and thermodynamic and kinetic parameters of the aquation of selected platinum(II) derivatives with their anticancer IC50 indexes.

    Science.gov (United States)

    Bradác, Ondrej; Zimmermann, Tomás; Burda, Jaroslav V

    2008-08-01

    Three potential anticancer agents {trans-[PtCl(2)(NH(3))(thiazole)], cis-[PtCl(2)(NH(3))(piperidine)], and PtCl(2)(NH(3))(cyclohexylamine) (JM118)} were explored and compared with cisplatin and the inactive [PtCl(dien)](+) complex. Basic electronic properties, bonding and stabilization energies were determined, and thermodynamic and kinetic parameters for the aquation reaction were estimated at the B3LYP/6-311++G(2df,2pd) level of theory. Since the aquation process represents activation of these agents, the obtained rate constants were compared with the experimental IC(50) values for several tumor cells. Despite the fact that the processes in which these drugs are involved and the way in which they affect cells are very complex, some correlations can be deduced.

  4. Study on Modification of NaX Zeolites: The Cobalt (II-Exchange Kinetics and Surface Property Changes under Thermal Treatment

    Directory of Open Access Journals (Sweden)

    Hoai-Lam Tran

    2016-01-01

    Full Text Available The cobalt (II ion-exchange process followed the Freundlich and Langmuir adsorption models as well as the pseudo-second-order kinetic model. The cobalt-exchanged contents increased when the initial Co(NO32 solution concentration increased up to 0.14 mol L−1 at the optimal pH of 6.05. The N2 adsorption isotherms are mixed types I/II isotherms and H3 type hysteresis. Both the micropore and mesopore adsorptions occurred during the adsorption process. The modification, which is both the cobalt (II exchange and thermal treatment, significantly improved the surface properties of NaX zeolites. Accordingly, the optimal temperature range is 500 to 600°C for a thermal treatment. This is consistent with the results of XRD analysis.

  5. Kinetic Testing of Nitrate-Based Sodalite Formation Over the Temperature Range of 40 to 100 Degrees Centigrade (Final Report)

    Energy Technology Data Exchange (ETDEWEB)

    Mattus, A.J.

    2001-09-07

    The focus of this study was the desilication kinetics of a Savannah River Site (SRS) tank farm 2H simulant over the temperature range of 40 to 100 C. Results showed that the formation of nitrate-nitrite-based sodalite over aluminum-to-silicon (Al:Si) molar ratios ranging from 1:1 to 20:1 exhibited overall-second order kinetics. The Arrhenius apparent activation energy associated with the crystal growth process of the sodalite was determined to be 35 kJ/mol over the temperature range investigated. Second-order rate constants were extrapolated to the 2H evaporator working temperature of {approx} 130 C and were found to be 0.012 L mol{sup -1} s{sup -1}. At this operating temperature, the half-life of a limiting reactant with a 0.1 M feed would be 14 min.

  6. NADP-malate Dehydrogenase Isoforms of Wheat Leaves under Drought: Their Localization, and Some physicochemical and Kinetic Properties

    Directory of Open Access Journals (Sweden)

    H.G. Babayev

    2015-09-01

    Full Text Available Changes in sub-cellular localization, isoenzyme spectrum and kinetic characteristics of NADP-malate dehydrogenase (NADP-MDH, EC 1.1.1.82 in Triticum durum Desf. genotypes with contrasting drought tolerance have been studied. In chloroplast and cytosol fractions of mesophyll cells of wheat flag leaves 70-75% and 25-30% of the total NADP-MDH activity were found to be localized, respectively. Three isoforms of NADP-MDH with molecular weights of 66, 74 and 86 kDa were revealed in the chloroplast fraction, whereas in the cytosolic fraction molecular weights of the isoenzymes were found to be 42, 66 and 74 kDa. Drought caused the formation of a new 90 kDa isoform of the enzyme in the chloroplast fraction in anthesis phase of ontogenesis. In the drought-tolerant genotype the appearance of the new isoform in the chloroplast fraction was accompanied by a more rapid increase in Km and Vmax contrary to the chloroplast fraction of the drought-sensitive genotype manifesting a slight decrease in these parameters, suggesting one of the adaptive traits in forming drought tolerance in C3 plants.

  7. Physicochemical properties of chlorine oxides. 1. Composition, ultraviolet spectrum, and kinetics of the thermolysis of gaseous dichlorine hexoxide

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, M.I.; Sicre, J.E. (Universidad Nacional de La Plata (Argentina))

    1990-05-03

    The experimental evidence presented here shows that gaseous dichlorine hexoxide at room temperatures has essentially the composition Cl{sub 2}O{sub 6} and not ClO{sub 3} as currently accepted. Vapor pressure measurements of liquid Cl{sub 2}O{sub 6} between 5 and 45{degree}C have been made. The absorption cross section values of gaseous Cl{sub 2}O{sub 6} are approximately 3 times higher than those assigned to ClO{sub 3} by other authors. The products of the thermal decomposition of gaseous Cl{sub 2}O{sub 6} are mainly chlorine perchlorate and oxygen. The kinetics of the decomposition over the Cl{sub 2}O{sub 6} pressure range 0.5-1.2 Torr, at 20-30{degree}C, follows a first-order rate equation and is independent of the total pressure. A unimolecular process, namely, Cl{sub 2}O{sub 6} {yields} Cl{sub 2}O{sub 4} + O{sub 2}, proceeding at the high-pressure limit through a complex fission reaction is postulated.

  8. Purification and Biochemical and Kinetic Properties of an Endo-Polygalacturonase from the Industrial Fungus Aspergillus sojae.

    Science.gov (United States)

    Fratebianchi, Dante; Cavello, Ivana Alejandra; Cavalitto, Sebastián Fernando

    2017-01-01

    An endo-polygalacturonase secreted by Aspergillus sojae was characterized after being purified to homogeneity from submerged cultures with orange peel as the sole carbon source by gel filtration and ion-exchange chromatographies. According to SDS-PAGE and analytical isoelectric focusing analyses, the enzyme presents a molecular weight of 47 kDa and pI value of 4.2. This enzyme exhibits considerable stability under highly acidic to neutral conditions (pH 1.5-6.5) and presents a half-life of 2 h at 50°C. Besides its activity towards pectin and polygalacturonic acid, the enzyme displays pectin-releasing activity, acting best in a pH range of 3.3-5.0. Thin-layer chromatographic analysis revealed that tri-galacturonate is the main enzymatic end product of polygalacturonic acid hydrolysis, indicating that it is an endo-polygalacturonase. The enzyme exhibits Michaelis-Menten kinetics, with KM and VMAX values of 0.134 mg/mL and 9.6 µmol/mg/min, respectively, and remained stable and active in the presence of SO2, ethanol, and various cations assayed except Hg2+. © 2017 S. Karger AG, Basel.

  9. Physical properties of kraft black liquor. Final report. Phase I

    Energy Technology Data Exchange (ETDEWEB)

    Fricke, A.L.

    1983-12-01

    Methods were selected, equipment installed, and procedures developed for determining rheological properties; for determining thermal properties (stability, density, thermal expansion, and heat capacity); for purification and characterization of lignin (glass transition, stability, weight average molecular weight, and number average molecular weight); and for performing chemical analyses (negative inorganic ions, positive inorganic ions, acid organic salts, lignin, and total solids). A strategy for pulping to supply test liquors was developed, and a statistically designed pulping experiment was specified for a Southern softwood species. Arrangements were made for performing initial pulping work in an industrial pilot plant, and a preliminary set of pulping experiments were conducted. Liquors from the preliminary pulping experiments were used to test procedures and to determine reproducibility of the experiment. Literature was also surveyed and preliminary selection of designs for a pilot digester, and for equipment to determine surface tension were made.

  10. Nonlinear interactions between the pumping kinetics, fluid dynamics and optical resonator of cw fluid flow lasers. Final technical report

    Energy Technology Data Exchange (ETDEWEB)

    Sentman, L.H.; Nayfeh, M.H.

    1983-12-01

    This research is an integrated theoretical and experimental investigation of the nonlinear interactions which may occur between the chemical kinetics, the fluid dynamics and the unstable resonator of a continuous wave fluid flow laser. The objectives of this grant were to measure the frequency and amplitude of the time dependent pulsations in the power spectral output which have been predicted to occur in cw chemical lasers employing unstable resonators to extract power.

  11. COST 507: Thermophysical properties of light metal alloys. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Jaroma-Weiland, G.; Brandt, R.; Neuer, G.

    1994-02-15

    The thermophysical properties of Al-, Mg- and Ti-based light metal alloys have been studied by reviewing the literature published so far, evaluating the empirical results and by empirical investigations. The properties to the covered in the literature research are: thermal conductivity, thermal diffusivity, specific heat capacity, thermal expansion and electrical resistivity. The data have been stored in the factual data base THERSYST together with the results of experimental measurements supplied from participants of the COST 507-action (Group D). Altogether 1325 data-sets referring to 146 alloys have been stored. They have been uniformly represented and critically analyzed by means of the THERSYST program moduli. These numerical data cover a number of systems with variing chemical composition and thermal treatment. Partly large discrepancies especially of the thermal conductivity have been found for similar alloys. The problem of experimental uncertainities has been studied in detail by investigation of AA-8090 alloy (Al-2.5Li-1.1Cu). The thermophysical properties of monolithic alloy KS1275 (AlSi12CuNi) and metal matrix composite (KS1275 reinforced with Al2O3 short fibre) have been determined experimentally. (orig.)

  12. The kinetics of sulfation of calcium oxide. [Quarterly] project status report, March 1, 1990--May 31, 1990

    Energy Technology Data Exchange (ETDEWEB)

    Sarofim, A.F.; Longwell, J.P.

    1990-12-31

    The rate of sulfation of a CaO surface is rapid at first, limited by the intrinsic kinetics, but slows down with increasing conversion as a consequence of the increased resistance to diffusion through the product layer. The objectives of this study are to determine the intrinsic kinetics and the product layer diffusion pate by minimizing the resistances to gas-phase pore diffusion, and eliminating complications due to pore filling. This is achieved by the use of nonporous CaO. A wide range of particle sizes are used to change the relative importance of the regimes in which the intrinsic kinetics and product layer diffusion control. The assumption of constant product layer diffusivity can then be tested and the variables that determine this diffusivity independently studied. Information on product layer diffusion can also be obtained from studies of porous particles after the pore mouths are all plugged and a uniform surface coating is obtained. This information on diffusion rate and intrinsic reactivity can then be combined with a geometrical model to describe the rate of reaction over the entire range of conversions and is particularly useful in treating the effect of particle size on conversion history.

  13. Enhanced thermal stability and mismatch discrimination of mutation-carrying DNA duplexes and their kinetic and thermodynamic properties in microchannel laminar flow.

    Science.gov (United States)

    Nagata, Maria Portia B; Yamashita, Kenichi; Miyazaki, Masaya; Nakamura, Hiroyuki; Maeda, Hideaki

    2009-07-01

    This article reports the enhancement of thermal stability involving normal duplex and mutation-carrying DNA duplexes in microchannel laminar flow. The application of an in-house temperature-controllable microchannel-type flow cell is demonstrated for improved discrimination of mismatch base pairs such as A-G and T-G that are difficult to distinguish due to the rather small thermal destabilizations. Enhancement in thermal stability is reflected by an increased thermal melting temperature achieved in microchannel laminar flow as compared with batch reactions. To examine the kinetics and thermodynamics of duplex-coil equilibrium of DNA oligomers, denaturation-renaturation hysteresis curves were measured. The influence of microchannel laminar flow on DNA base mismatch analysis was described from the kinetic and thermodynamic perspectives. An increasing trend was observed for association rate constant as flow rate increased. In contrast, an apparent decrease in dissociation rate constant was observed with increasing flow rate. The magnitudes of the activation energies of dissociation were nearly constant for both the batch and microchannel laminar flow systems at all flow rates. In contrast, the magnitudes of activation energies of association decreased as flow rate increased. These results clearly show how microchannel laminar flow induces change in reaction rate by effecting change in activation energy. We anticipate, therefore, that this approach based on microchannel laminar flow system holds great promise for improved mismatch discrimination in DNA analyses, particularly on single-base-pair mismatch, by pronouncedly enhancing thermal stability.

  14. A new real-time method for investigation of affinity properties and binding kinetics of magnetic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Orlov, Alexey V. [Prokhorov General Physics Institute, Russian Academy of Sciences, 38 Vavilov St, 119991 Moscow (Russian Federation); Nikitin, Maxim P. [Prokhorov General Physics Institute, Russian Academy of Sciences, 38 Vavilov St, 119991 Moscow (Russian Federation); Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, 16/10 Miklukho-Maklaya St, 117997 Moscow (Russian Federation); Moscow Institute of Physics and Technology, 9 Institutskii per., Dolgoprudny, Moscow Region 141700 (Russian Federation); Bragina, Vera A.; Znoyko, Sergey L.; Zaikina, Marina N.; Ksenevich, Tatiana I.; Gorshkov, Boris G. [Prokhorov General Physics Institute, Russian Academy of Sciences, 38 Vavilov St, 119991 Moscow (Russian Federation); Nikitin, Petr I., E-mail: nikitin@kapella.gpi.ru [Prokhorov General Physics Institute, Russian Academy of Sciences, 38 Vavilov St, 119991 Moscow (Russian Federation); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), 31 Kashirskoe shosse, 115409 Moscow (Russian Federation)

    2015-04-15

    A method for quantitative investigation of affinity constants of receptors immobilized on magnetic nanoparticles (MP) is developed based on spectral correlation interferometry (SCI). The SCI records with a picometer resolution the thickness changes of a layer of molecules or nanoparticles due to a biochemical reaction on a cover slip, averaged over the sensing area. The method is compatible with other types of sensing surfaces employed in biosensing. The measured values of kinetic association constants of magnetic nanoparticles are 4 orders of magnitude higher than those of molecular antibody association with antigen. The developed method also suggests highly sensitive detection of antigens in a wide dynamic range. The limit of detection of 92 pg/ml has been demonstrated for prostate-specific antigen (PSA) with 50-nm MP employed as labels, which produce 3-order amplification of the SCI signals. The calibration curve features high sensitivity (slope) of 3-fold signal raise per 10-fold increase of PSA concentration within 4-order dynamic range, which is an attractive compromise for precise quantitative and highly sensitive immunoassay. The proposed biosensing technique offers inexpensive disposable sensor chips of cover slips and represents an economically sound alternative to traditional immunoassays for disease diagnostics, detection of pathogens in food and environmental monitoring. - Highlights: • Method for study of affinity constants of magnetic nanoparticles with receptors is proposed. • Association constants of such particles are 4 orders higher than for biomolecules. • Method is compatible with widely used biosensor surfaces and affordable consumables. • It has high sensitivity: 3-fold signal increasing per 10-fold of PSA concentration. • Limit of detection for PSA is 92 pg/ml, dynamic range – 4 orders of concentration.

  15. Relationships between fracture toughness and other material properties. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Perra, M.; Finnie, I.

    1974-01-01

    The key experimental and analytical studies which have led to our present understanding of the mechanisms of ductile fracture are reviewed. It is concluded that insufficient progress has been made in the quantitative description of ductile separation mechanisms on a microscale to allow the realistic prediction of fracture toughness from material properties and microstructure. An experimental study of ductile fracture is underway which has the aim of determining the growth rate of voids in known plastic deformation fields as a function of triaxiality of stress and material work-hardening. Novel specimens of particularly well characterized microstructure are utilized.

  16. Thermal properties of explosives. Quarterly report, January, February, March 1964

    Energy Technology Data Exchange (ETDEWEB)

    Myers, L.C.

    1997-09-01

    Henkin`s test data are reported for comparisons of the following: dry-to-moist samples, PBX 9404 in brass and gold-plated blasting caps, Holston HMX with Bridgewater HMX, LX-04-1 and LX-04-1 + Ucon oil, and PETN, LX-04-1 and Extex. The time-to-explosion curves for HMX and PBX 9404 are also given. A description of the pyrolysis apparatus and the method of calibrating the sample temperature to the response of the thermal conductivity detector are reported. The pyrolytic decomposition curves of several standard explosives and six specially prepared HMX samples (LRL raw material No. A-311 through A-316) are included. A controlled atmosphere D.T.A. is described and the thermograms of PETN with an atmosphere of air at 85 psi, nitrogen at 85 psi and 200 psi are given. The thermograms indicate that PETN becomes more sensitive as the pressure increases. Chemical reactivity data are reported for Comp B, Comp B-3, Comp C-4, HMX, PBX 9011, PBX 9205, Tetryl and TNT. Also, test results are reported for LX-01-1 and Comp B-3 heated at 150{degrees}C for 22 hours, LX-02-1 heated at 100{degrees}C for 22 hours, and pressed pellets of PBX 9404 and PBX 9404 + powdered lead.

  17. Aerosol Properties Downwind of Biomass Burns Field Campaign Report

    Energy Technology Data Exchange (ETDEWEB)

    Buseck, Peter R [Arizona State Univ., Tempe, AZ (United States)

    2016-04-01

    We determined the morphological, chemical, and thermal properties of aerosol particles generated by biomass burning during the Biomass Burning Observation Project (BBOP) campaign during the wildland fire season in the Pacific Northwest from July to mid-September, 2013, and in October, 2013 from prescribed agricultural burns in the lower Mississippi River Valley. BBOP was a field campaign of the U.S. Department of Energy (DOE)’s Atmospheric Radiation Measurement (ARM) Climate Research Facility. The morphological information was both two-dimensional, as is typical of most microscopy images and that have many of the characteristic of shadows in that they lack depth data, and three-dimensional (3D). The electron tomographic measurements will provided 3D data, including the presence and nature of pores and interstices, and whether the individual particles are coated by or embedded within other materials. These microphysical properties were determined for particles as a function of time and distance from the respective sources in order to obtain detailed information regarding the time evolution of changes during aging.

  18. Kinetics and Catalysis Demonstrations.

    Science.gov (United States)

    Falconer, John L.; Britten, Jerald A.

    1984-01-01

    Eleven videotaped kinetics and catalysis demonstrations are described. Demonstrations include the clock reaction, oscillating reaction, hydrogen oxidation in air, hydrogen-oxygen explosion, acid-base properties of solids, high- and low-temperature zeolite reactivity, copper catalysis of ammonia oxidation and sodium peroxide decomposition, ammonia…

  19. In vitro comparison of polymerisation kinetics and the micro-mechanical properties of low and high viscosity giomers and RBC materials.

    Science.gov (United States)

    Ilie, Nicoleta; Fleming, Garry J P

    2015-07-01

    The study aims to characterise a low and high viscosity giomer bulk fill resin restorative with established low and high viscosity resin-based composite (RBC) restoratives at simulated clinical relevant specimen depths. The irradiance of a light curing unit (Bluephase 20i) was measured on a laboratory-grade spectrometer at distances up to 10mm from the light tip (in 1mm increments). Polymerization kinetics (real-time decrease of CC double bond and degree of cure, DC) and micro-mechanical properties (Vickers hardness/HV; Depth of cure/DOC; Indentation modulus/E) were assessed at varying specimen depths (0.1-6mm in 100μm steps for E, DOC and HV and 0.1, 2, 4 and 6mm for DC) for a 20s irradiation. One and two-way ANOVA (α=0.05) were performed. The parameter material has a significant (p4mm was identified. Variation of DC with specimen depth was low, with little variation at specimen depths of <4mm. The micro-mechanical properties of the giomer materials were higher compared with the conventional RBC materials. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Poly(lactic acid)-Based in Situ Microfibrillar Composites with Enhanced Crystallization Kinetics, Mechanical Properties, Rheological Behavior, and Foaming Ability.

    Science.gov (United States)

    Kakroodi, Adel Ramezani; Kazemi, Yasamin; Ding, WeiDan; Ameli, Aboutaleb; Park, Chul B

    2015-12-14

    Melt blending is one of the most promising techniques for eliminating poly(lactic acid)'s (PLA) numerous drawbacks. However, success in a typical melt blending process is usually achieved through the inclusion of high concentrations of a second polymeric phase which can compromise PLA's green nature. In a pioneering study, we introduce the production of in situ microfibrillar PLA/polyamide-6 (PA6) blends as a cost-effective and efficient technique for improving PLA's properties while minimizing the required PA6 content. Predominantly biobased products, with only 3 wt % of in situ generated PA6 microfibrils (diameter ≈200 nm), were shown to have dramatically improved crystallization kinetics, mechanical properties, melt elasticity and strength, and foaming-ability compared with PLA. Crucially, the microfibrillar blends were produced using an environmentally friendly and cost-effective process. Both of these qualities are essential in guarantying the viability of the proposed technique for overcoming the obstacles associated with the vast commercialization of PLA.

  1. Product kinetic and internal energy distributions via velocity-aligned Doppler spectroscopy: Technical report, May 1985-January 1987

    Energy Technology Data Exchange (ETDEWEB)

    Wittig, C.

    1987-01-01

    We developed a method of sub-Doppler resolution spectroscopy that is useful for determining kinetic energy distributions. With 'conventional' Doppler spectroscopy, it is almost impossible to obtain an accurate distribution from a line profile, even with the highest resolution, except when the distribution is quite simple (e.g., a delta function). This is due to the lineshape deriving from velocity components along the wave-vector of the probe radiation, k/sub probe/. However, by choosing only those species whose velocities are essentially parallel (or antiparallel) to k/sub probe/, this handicap is overcome. Here, one obtains the kinetic energy distribution along k/sub probe/, and the resolution is limited only by our ability to reject species with velocity components perpendicular to k/sub probe/. This rejection is done by spatial and temporal discrimination, using counterpropagating, overlapped, pulsed photolysis and probe sources. At long delays, molecules are detected which are aligned with k/sub probe/. We call the method velocity-aligned Doppler spectroscopy (VADS). We have perused several cases involving photodissociation of small molecules, in each case detecting H-atoms using sequential 2-photon ionization via Lyman-..cap alpha... We discern structure in the kinetic energy distribution which is attributed to internal excitation of the 'other' fragment, and resolution is limited by the dye laser bandwidth. In the case of HBr, we resolve the Br spin-orbit states, and with H/sub 2/S, we resolve the SH vibrational levels. 38 refs., 7 figs.

  2. Spectral and Kinetic Properties of Radicals Derived from Oxidation of Quinoxalin-2-One and Its Methyl Derivative

    Directory of Open Access Journals (Sweden)

    Konrad Skotnicki

    2014-11-01

    Full Text Available The kinetics and spectral characteristics of the transients formed in the reactions of •OH and •N3 with quinoxalin-2(1H-one (Q, its methyl derivative, 3-methylquinoxalin-2(1H-one (3-MeQ and pyrazin-2-one (Pyr were studied by pulse radiolysis in aqueous solutions at pH 7. The transient absorption spectra recorded in the reactions of •OH with Q and 3-MeQ consisted of an absorption band with λmax = 470 nm assigned to the OH-adducts on the benzene ring, and a second band with λmax = 390 nm (for Q and 370 nm (for 3-MeQ assigned, inter alia, to the N-centered radicals on a pyrazin-2-one ring. The rate constants of the reactions of •OH with Q and 3-MeQ were found to be in the interval (5.9–9.7 × 109 M–1·s–1 and were assigned to their addition to benzene and pyrazin-2-one rings and H-abstraction from the pyrazin-2-one nitrogen. In turn, the transient absorption spectrum observed in the reaction of •N3 exhibits an absorption band with λmax = 350 nm. This absorption was assigned to the N-centered radical on the Pyr ring formed after deprotonation of the respective radical cation resulting from one-electron oxidation of 3-MeQ. The rate constant of the reaction of •N3 with 3 MeQ was found to be (6.0 ± 0.5 × 109 M–1·s–1. Oxidation of 3-MeQ by •N3 and Pyr by •OH and •N3 confirms earlier spectral assignments. With the rate constant of the •OH radical with Pyr (k = 9.2 ± 0.2 × 109 M–1·s‒1, a primary distribution of the •OH attack was estimated nearly equal between benzene and pyrazin-2-one rings.

  3. Induction and properties of guinea pig serum interferon. Preliminary report.

    Science.gov (United States)

    Nolewajka, E; Mikolajski, K; Kapp-Burzyńska, Z; Trzeciak, J; Wrona, M

    1977-01-01

    Guinea pigs, 250-350 g body weight, both sexes, were injected with 5X10(8.5) EID50 NDV (Radom strain) intracardially and intraperitoneally simultaneously. The animals were bled by cardiac puncture 0, 3, 6, 12, 24 and 48 hours after injection. After virus inactivation, serum interferon titration was performed in cultures of guinea pig embryo kidney cells with 50 percent plaque inhibition test using VSV. The highest interferon titer (64 u./ml) was found after 6 hours of inductor injection. Interferon titer decreased quickly and after 12 hours it was lower than 16 u./ml. Guinea pig serum interferon induced by NDV was resistant to pH 2 and 56 degrees C during 1 hour. Interferon was inactivated by trypsin. The decribed interferon did not protect heterologous species cells (swine) against Teschen Disease Virus infection. Other properties of this interferon are being studied.

  4. Transient deformation properties of Zircaloy for LOCA simulation. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hann, C. R.; Mohr, C. L.; Busness, K. M.; Olson, N. J.; Reich, F. R.; Stewart, K. B.

    1980-05-01

    This experimental data report is Volume 4 of a series of 5 volumes describing the oxidation and deformation rate behavior of Zircaloy cladding under simulated LOCA conditions. It contains listings of strain versus stress, time, and temperature evaluated from the numerical constitutive relationships and the original data used to develop them. This volume also contains listings of the ramp load, pressure, and temperature test data from both current and previous phases of the series, as well as material describing applications of the data.

  5. Kinetic model for predicting the concentrations of active halogens species in chlorinated saline cooling waters. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Haag, W.R.; Lietzke, M.H.

    1981-08-01

    A kinetic model has been developed for describing the speciation of chlorine-produced oxidants in seawater as a function of time. The model is applicable under a broad variety of conditions, including all pH range, salinities, temperatures, ammonia concentrations, organic amine concentrations, and chlorine doses likely to be encountered during power plant cooling water chlorination. However, the effects of sunlight are not considered. The model can also be applied to freshwater and recirculating water systems with cooling towers. The results of the model agree with expectation, however, complete verification is not feasible at the present because analytical methods for some of the predicted species are lacking.

  6. Adsorption and desorption of hydrogen at nonpolar GaN (1 1 ¯ 00 ) surfaces: Kinetics and impact on surface vibrational and electronic properties

    Science.gov (United States)

    Lymperakis, L.; Neugebauer, J.; Himmerlich, M.; Krischok, S.; Rink, M.; Kröger, J.; Polyakov, V. M.

    2017-05-01

    The adsorption of hydrogen at nonpolar GaN (1 1 ¯00 ) surfaces and its impact on the electronic and vibrational properties is investigated using surface electron spectroscopy in combination with density functional theory (DFT) calculations. For the surface mediated dissociation of H2 and the subsequent adsorption of H, an energy barrier of 0.55 eV has to be overcome. The calculated kinetic surface phase diagram indicates that the reaction is kinetically hindered at low pressures and low temperatures. At higher temperatures ab initio thermodynamics show, that the H-free surface is energetically favored. To validate these theoretical predictions experiments at room temperature and under ultrahigh vacuum conditions were performed. They reveal that molecular hydrogen does not dissociatively adsorb at the GaN (1 1 ¯00 ) surface. Only activated atomic hydrogen atoms attach to the surface. At temperatures above 820 K, the attached hydrogen gets desorbed. The adsorbed hydrogen atoms saturate the dangling bonds of the gallium and nitrogen surface atoms and result in an inversion of the Ga-N surface dimer buckling. The signatures of the Ga-H and N-H vibrational modes on the H-covered surface have experimentally been identified and are in good agreement with the DFT calculations of the surface phonon modes. Both theory and experiment show that H adsorption results in a removal of occupied and unoccupied intragap electron states of the clean GaN (1 1 ¯00 ) surface and a reduction of the surface upward band bending by 0.4 eV. The latter mechanism largely reduces surface electron depletion.

  7. Substrate specificity and kinetic properties of enzymes belonging to the hormone-sensitive lipase family: comparison with non-lipolytic and lipolytic carboxylesterases.

    Science.gov (United States)

    Chahinian, Henri; Ali, Yassine Ben; Abousalham, Abdelkarim; Petry, Stefan; Mandrich, Luigi; Manco, Guiseppe; Canaan, Stephane; Sarda, Louis

    2005-12-30

    We have studied the kinetics of hydrolysis of triacylglycerols, vinyl esters and p-nitrophenyl butyrate by four carboxylesterases of the HSL family, namely recombinant human hormone-sensitive lipase (HSL), EST2 from Alicyclobacillus acidocaldarius, AFEST from Archeoglobus fulgidus, and protein RV1399C from Mycobacterium tuberculosis. The kinetic properties of enzymes of the HSL family have been compared to those of a series of lipolytic and non-lipolytic carboxylesterases including human pancreatic lipase, guinea pig pancreatic lipase related protein 2, lipases from Mucor miehei and Thermomyces lanuginosus, cutinase from Fusarium solani, LipA from Bacillus subtilis, porcine liver esterase and Esterase A from Aspergilus niger. Results indicate that human HSL, together with other lipolytic carboxylesterases, are active on short chain esters and hydrolyze water insoluble trioctanoin, vinyl laurate and olive oil, whereas the action of EST2, AFEST, protein RV1399C and non-lipolytic carboxylesterases is restricted to solutions of short chain substrates. Lipolytic and non-lipolytic carboxylesterases can be differentiated by their respective value of K(0.5) (apparent K(m)) for the hydrolysis of short chain esters. Among lipolytic enzymes, those possessing a lid domain display higher activity on tributyrin, trioctanoin and olive oil suggesting, then, that the lid structure contributes to enzyme binding to triacylglycerols. Progress reaction curves of the hydrolysis of p-nitrophenyl butyrate by lipolytic carboxylesterases with lid domain show a latency phase which is not observed with human HSL, non-lipolytic carboxylesterases, and lipolytic enzymes devoid of a lid structure as cutinase.

  8. Chemical Kinetics Database

    Science.gov (United States)

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

  9. Mechanical-property evaluation of a series of commercial tungsten alloys. Memorandum report

    Energy Technology Data Exchange (ETDEWEB)

    Bruchey, W.J.; Montiel, D.M.

    1987-06-01

    A series of commercially available tungsten alloys ranging in tungsten content from 75% to 95% were evaluated. Typical tensile and compressive engineering properties are reported. These tests were conducted in support of penetrator ballistic-test programs.

  10. Kinetics and mechanism of desulfurization and denitrogenation of coal-derived liquids. Fourth quarterly report, March 20--June 20, 1976

    Energy Technology Data Exchange (ETDEWEB)

    Katzer, J. R.; Gates, B. C.; Olson, J. H.; Kwart, H.; Stiles, A. B.

    1976-07-15

    The high-pressure liquid-phase flow microreactors are operating satisfactorily in both hydrodesulfurization and hydrodenitrogenation studies after minor modifications to allow in situ sulfiding. The hydrodesulfurization of dibenzothiophene occurs by a simple network giving only H/sub 2/S and biphenyl as primary reaction products. The reaction network for quinoline hydrodenitrogenation has been determined, and a kinetic model developed to allow quantitative determination of the first-order kinetic constants for each of the steps in the reaction network. The effect of H/sub 2/S concentration, hydrogen pressure, quinoline concentration, and catalyst type on the rate of the various steps in the reaction network has been determined. Aged catalyst from the 1.1 in ID Synthoil reactor showed considerable amounts of mineral matter on it, but not as much FeS/sub x/ as on the catalyst from the /sup 5///sub 16/ in. ID unit. Moment analysis for the evaluation of pulse microreactor data has been completed.

  11. 48 CFR 1845.505-14 - Reports of Government property. (NASA supplements paragraphs (b))

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 6 2010-10-01 2010-10-01 true Reports of Government... System NATIONAL AERONAUTICS AND SPACE ADMINISTRATION CONTRACT MANAGEMENT GOVERNMENT PROPERTY Management... 1845.71. Contractor property control systems shall distinguish between Government furnished...

  12. 76 FR 64885 - Defense Federal Acquisition Regulation Supplement: Reporting of Government-Furnished Property...

    Science.gov (United States)

    2011-10-19

    ... generally accepted accounting principles. Unit of issue or unit of measure means the physical measurement of....25-2, Military Standard Transaction Reporting and Accounting Procedures manual, along with a... establish the Defense Property Accountability System (DPAS) as its property accounting system of record,...

  13. Development of vacuum glazing with advanced thermal properties - Final report

    Energy Technology Data Exchange (ETDEWEB)

    Koebel, M.; Manz, H.

    2009-03-15

    Windows constitute a weak link in the building envelope and hence contribute significantly to the total heating energy demand in buildings. By evacuating the glazing cavity a vacuum glazing is created and heat transfer can be significantly reduced. This project was designed to build knowledge and technology necessary to fabricate vacuum glazing with advanced thermal properties. More specifically, various strategies for improvement of conventional technology were investigated. Of central importance was the development of a novel edge sealing approach which can in theory circumvent the main limitation of conventional glass soldering technology. This approach which is rapid, low temperature, low cost and completely vacuum compatible was filed for patenting in 2008. With regards to thermal insulation performance and glazing deflection, numerical studies were performed demonstrating the importance of nonlinear behavior with glazing size and the results published. A detailed service life prediction model was elaborated which defines a set of parameters necessary to keep the expected pressure increase below a threshold value of 0.1 Pa after 30 years. The model takes into account four possible sources of pressure increase and a getter material which acts as a sink. For the production of 0.5 m by 0.5 m glazing assembly prototypes, a high vacuum chamber was constructed and a first sealing prototype realized therein. The manufacture of improved prototypes and optimization of the anodic bonding edge sealing technology with emphasis on process relevant aspects is the goal of a follow-up project. (authors)

  14. Surface Properties of Photo-Oxidized Bituminous Coals: Final report

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-09-01

    Natural weathering has a detrimental effect on the hydrophobic nature of coal, which in turn can influence clean-coal recovery during flotation. Few techniques are available that can establish the quality of coal surfaces and that have a short analysis time to provide input for process control. Luminescence emissions which can be quantified with an optical microscope and photometer system, are measurably influenced by degree of weathering as well as by mild storage deterioration. In addition, it has been shown that when vitrinite is irradiated with a relatively high intensity flux of violet- or ultraviolet- light in the presence of air, photo-oxidation of the surface occurs. The combination of measuring the change in luminescence emission intensity with degree of surface oxidation provided the impetus for the current investigation. The principal aim of this research was to determine whether clear correlations could be established among surface oxygen functionality, hydrophobicity induced by photo-oxidation, and measurements of luminescence intensity and alteration. If successful, the project would result in quantitative luminescence techniques based on optical microscopy that would provide a measure of the changes in surface properties as a function of oxidation and relate them to coal cleanability. Two analytical techniques were designed to achieve these goals. Polished surfaces of vitrain bands or a narrow size fraction of powdered vitrain concentrates were photo-oxidized using violet or ultraviolet light fluxes and then changes in surface properties and chemistry were measured using a variety of near-surface analytical techniques. Results from this investigation demonstrate that quantitative luminescence intensity measurements can be performed on fracture surfaces of bituminous rank coals (vitrains) and that the data obtained do reveal significant variations depending upon the level of surface oxidation. Photo-oxidation induced by violet or ultraviolet light

  15. Kinetic Interface

    DEFF Research Database (Denmark)

    2009-01-01

    A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises.......A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises....

  16. Kinetic properties of the mitochondrial F1FO-ATPase activity elicited by Ca(2+) in replacement of Mg(2).

    Science.gov (United States)

    Nesci, Salvatore; Trombetti, Fabiana; Ventrella, Vittoria; Pirini, Maurizio; Pagliarani, Alessandra

    2017-09-01

    The mitochondrial F-ATPase can be activated either by the classical cofactor Mg(2+) or, with lower efficiency, by Ca(2+). The latter may play a role when calcium concentration rises in mitochondria, a condition associated with cascade events leading to cell death. Common and distinctive features of these differently activated mitochondrial ATPases were pointed out in swine heart mitochondria. When Ca(2+) replaces the natural cofactor Mg(2+), the enzyme responsiveness to the transmembrane electrochemical gradient and to the classical F-ATPase inhibitors DCCD and oligomycin as well as the oligomycin sensitivity loss by thiol oxidation, are maintained. Consistently, the two mitochondrial ATPases apparently share the F1FO complex basic structure and mechanism. Peculiar cation-dependent properties, which may affect the F1 catalytic mechanism and/or the FO proton binding site features, may be linked to a different physiological role of the mitochondrial Ca-activated F-ATPase with respect to the Mg-activated F-ATPase. Copyright © 2017 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

  17. Final Report: Molecular mechanisms and kinetics of microbial anaerobic nitrate-dependent U(IV) and Fe(II) oxidation

    Energy Technology Data Exchange (ETDEWEB)

    O' Day, Peggy A. [Univ. of California, Merced, CA (United States); Asta, Maria P. [Univ. of California, Merced, CA (United States); Kanematsu, Masakazu [Univ. of California, Merced, CA (United States); Beller, Harry [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Zhou, Peng [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Steefel, Carl [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2015-02-27

    In this project, we combined molecular genetic, spectroscopic, and microscopic techniques with kinetic and reactive transport studies to describe and quantify biotic and abiotic mechanisms underlying anaerobic, nitrate-dependent U(IV) and Fe(II) oxidation, which influences the long-term efficacy of in situ reductive immobilization of uranium at DOE sites. In these studies, Thiobacillus denitrificans, an autotrophic bacterium that catalyzes anaerobic U(IV) and Fe(II) oxidation, was used to examine coupled oxidation-reduction processes under either biotic (enzymatic) or abiotic conditions in batch and column experiments with biogenically produced UIVO2(s). Synthesis and quantitative analysis of coupled chemical and transport processes were done with the reactive transport modeling code Crunchflow. Research focused on identifying the primary redox proteins that catalyze metal oxidation, environmental factors that influence protein expression, and molecular-scale geochemical factors that control the rates of biotic and abiotic oxidation.

  18. Biomineralization: Systematics of organic-directed controls on carbonate growth morphologies and kinetics determined by in situ AFM. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Dove, P.M.

    1998-12-01

    During the three years of this project, tremendous progress has been made in understanding the microscopic kinetic controls on calcite growth and in investigations of amino acid controls on modifying crystal growth and dissolution. The project began with a focus on the aspartate-calcite system because previous studies have found that acidic matrix macromolecules involved in the regulation of biological crystal growth usually contain aspartic acid-rick domains. Indeed, several studies have shown that aspartate (Asp) modifies the growth morphology of calcite. Aspartate-rich proteins and {beta}-sheet polyaspartate adsorbed on sulfonated polystyrene surfaces were shown to stabilize {l_brace}0001{r_brace} growth surfaces. It was also shown that aspartate also stabilizes the prismatic {l_brace}1{bar 1}00{r_brace} growth forms. For the first time, the author has an understanding of the microscopic controls of aspartate on growth and dissolution.

  19. Final Report for NFE-07-00912: Development of Model Fuels Experimental Engine Data Base & Kinetic Modeling Parameter Sets

    Energy Technology Data Exchange (ETDEWEB)

    Bunting, Bruce G [ORNL

    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).

  20. Development of Kinetics and Mathematical Models for High-Pressure Gasification of Lignite-Switchgrass Blends: Cooperative Research and Development Final Report, CRADA Number CRD-11-447

    Energy Technology Data Exchange (ETDEWEB)

    Iisa, Kristiina [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2016-04-06

    NREL will work with Participant as a subtier partner under DE-FOA-0000240 titled "Co-Production of Power, Fuels, and Chemicals via Coal/Biomass Mixtures." The goal of the project is to determine the gasification characteristics of switchgrass and lignite mixtures and develop kinetic models. NREL will utilize a pressurized thermogravimetric analyzer to measure the reactivity of chars generated in a pressurized entrained-flow reactor at Participant's facilities and to determine the evolution of gaseous species during pyrolysis of switchgrass-lignite mixtures. Mass spectrometry and Fourier-transform infrared analysis will be used to identify and quantify the gaseous species. The results of the project will aid in defining key reactive properties of mixed coal biomass fuels.

  1. Intellectual Property Rights in E-Learning Programmes: Report of the Working Group.

    Science.gov (United States)

    Higher Education Funding Council for England, Bristol.

    This report is a good practice guide for higher education institutions on intellectual property rights in e-learning programs. The report includes model clauses that may be included in contracts at higher education institutions and incorporates comments from a previous limited "expert" consultation. It focuses on how to manage…

  2. Effects of annealing temperature on crystallisation kinetics and properties of polycrystalline Si thin films and solar cells on glass fabricated by plasma enhanced chemical vapour deposition

    Energy Technology Data Exchange (ETDEWEB)

    Tao Yuguo, E-mail: yuguo.tao@hotmail.com [Photovoltaics Centre of Excellence, University of New South Wales, Sydney NSW 2052 (Australia); Varlamov, Sergey; Jin, Guangyao [Photovoltaics Centre of Excellence, University of New South Wales, Sydney NSW 2052 (Australia); Wolf, Michael; Egan, Renate [CSG Solar Pty Ltd, Sydney, NSW (Australia)

    2011-10-31

    Solid-phase crystallisation of Si thin films on glass fabricated by plasma enhanced chemical vapour deposition is compared at different annealing temperatures. Four independent techniques, optical transmission microscopy, Raman and UV reflectance spectroscopy, and X-ray diffraction, are used to characterise the crystallisation kinetics and film properties. The 1.5 {mu}m thick films with the n+/p-/p+ solar cell structure have incubation times of about 300, 53, and 14 min and full crystallisation times of about 855, 128, and 30 min at 600 deg. C, 640 deg. C, and 680 deg. C respectively. Estimated activation energies for incubation and crystal growth are 2.7 and 3.2 eV respectively. The average grain size in the resulting polycrystalline Si films measured from scanning electron microscopy images gradually decreases with a higher annealing temperature and the crystal quality becomes poorer according to the Raman, UV reflection, and X-ray diffraction results. The dopant activation and majority carrier mobilities in heavily doped n+ and p+ layers are similar for all crystallisation temperatures. Both the open-circuit voltage and the spectral response are lower for the cells crystallised at higher temperatures and the minority carrier diffusion lengths are shorter accordingly although they are still longer than the cell thickness for all annealing temperatures. The results indicate that shortening the crystallisation time by merely increasing the crystallisation temperature offers little or no merits for PECVD polycrystalline Si thin-film solar cells on glass.

  3. Alteration kinetics of a simplified nuclear glass in an aqueous medium: effects of solution chemistry and of protective gel properties on diminishing the alteration rate

    Science.gov (United States)

    Jégou, C.; Gin, S.; Larché, F.

    2000-07-01

    The alteration kinetics of the French SON 68 nuclear glass simplified to its three major constituent elements (Si, B and Na) were investigated by static experiments at 90°C in order to deconvolute the effects of the solution chemistry and of the protective properties of the alteration gel on the diminishing alteration rate over time. A glass dissolution experiment in static conditions showed that the initial rate r0 was maintained even after silicon saturation of the solution. As the reaction progressed, the glass alteration rate gradually diminished over time. These results show that the driving force behind the alteration of this glass cannot be defined by the difference from saturation with respect to amorphous silica, and that reaching saturation is not a criterion for the end of alteration. The drop in the dissolution rate observed at a high degree of reaction progress is correlated with the formation of the silica gel that develops at the glass/solution interface. Confronting the experimental data with a model taking into account a diffusion boundary layer shows that the conventional tools of chemical thermodynamics are ill adapted to describing the formation and development of the silica gel layer over time. This study reveals that only a dynamic process of hydrolysis and condensation of silicon at the glass/gel interface can account for the formation of the gel layer. The glass alteration rate under silica saturation conditions would thus be highly dependent on the silicon recondensation rate in this `dynamic percolation' concept.

  4. Comparing three methods of simultaneous synthesis and stabilization of Fe3O4 nanoparticles: Changing physicochemical properties of products to improve kinetic and thermodynamic of dye adsorption

    Science.gov (United States)

    Rakhshaee, Roohan; Noorani, Yasaman

    2017-01-01

    Fe3O4 nanoparticles (FNPs) were synthesized by conventional heating (CH), co-precipitation (CP) and microwave heating (MH) methods in presence of pectin crosslinked by β-isopropylglutaric acid (-CP) to stabilize nanoparticles. The role of the cross-linked pectin and kinds of synthesis methods was appeared to increase the effective total surface of FNPs both simultaneously as the synergistic effects and separately. The effective role of the microwave irradiation to decrease FNPs mean size was seen, so that its size in FMH was smaller 21.5% and 38.2% than that of FCP and FCH, and in FMH-CP was smaller 27.2% and 58.9% than that of FCP-CP and FCH-CP, respectively. The various experiments were done on the structures, functional groups, and connection quantities of -CP to FNPs synthesized by CH, CP and MH methods. The different physical properties of the obtained composites containing magnetization, zeta potential and thermal analyses were determined. To study the adsorption of methylene blue (MB) from the aqueous and alkali solution, the role Fe-O- groups of FNPs was evaluated more effective than the role of -COO- and -O- of -CP in the stabilized nanoparticles. Fe3O4 NPs stabilized by -CP using microwave heating showed the highest capacity of MB adsorption due to having the most suitable thermodynamic and kinetic parameters.

  5. Influence of Yttrium Ion-implantation on Oxidation Kinetics of Co-40Cr Alloy and Property of Oxide/Substrate Interface

    Institute of Scientific and Technical Information of China (English)

    JIN Huiming; WU Dan; FELIX Congrado; AROYAVE Hayara

    2007-01-01

    The isothermal and cyclic oxidizing kinetics of Co-40Cr alloy and its yttrium ion-implanted samples were studied at 1000℃ in air by thermal-gravity analysis (TGA). Scanning electronic microscopy (SEM) was used to examine the Cr2O3 oxide film's morphology after oxidation. Secondary ion mass spectroscopy (SIMS) method was used to examine the binding energy change of chromium caused by yttrium doping. Acoustic emission (AE) method was used in situ to monitor the cracking and spalling of oxide films formed on both samples during oxidizing and subsequent air-cooling stages. It is found that yttrium implantation remarkably reduces the isothermal oxidizing rate of Co-40Cr and improves the anti-cracking and anti-spalling properties of Cr2O3 oxide film. The reasons for the improvements are mainly that implanted yttrium reduces the grain size of Cr2O3 oxide, increases the high temperature plasticity of oxide film, and remarkably reduces the number and size of Cr2O3/Co-40Cr interfacial defects.

  6. Quantifying the uncertainty of kinetic-theory predictions of clustering. Final Report covering 21 September 2011 - 20 September 2014

    Energy Technology Data Exchange (ETDEWEB)

    Hrenya, Christine [Univ. of Colorado, Boulder, CO (United States). Chemical and Biological Engineering

    2014-09-20

    Previous work has indicated that inelastic grains undergoing homogeneous cooling may be unstable, giving rise to the formation of velocity vortices and particle clusters for sufficiently large systems. Such instabilities are observed in industrial coal and biomass gasifiers and are known to influence gas-solid contact area, mixing dynamics, and heat/mass transfer rates. However, the driving mechanisms that lead to vortices and clusters are not well understood. Discrete-particle simulations provide a well-established method for understanding such mechanisms but are not a feasible technique for predicting the behavior of large-scale systems. Kinetic-theory-based continuum models offer an effective means of describing such flows, and instabilities present a stringent test of such models due to the transient, three-dimensional nature of instabilities and the large range of time and length scales over which these mechanisms occur.This work begins with the study, via a combination of continuum models and discrete- particle simulations, of a relatively simple flow and includes additional complexities in a stepwise manner to assess various driving mechanisms. Comparisons with discrete-particle simulations, which offer detailed, well-established (but computationally limited) descriptions of particle flows, indicate the ability of continuum models to accurately incorporate each mechanism. Specifically, the critical length scale for velocity vortices and/or particle clusters are studied via direct numerical simulation, molecular dynamics simulations, linear stability analyses of the continuum model, and transient simulations of the continuum model in a range of flow complexities, including moderate dissipation and particle concentration, frictional particles collisions, high gradients, and gas-solid flows. Strong agreement between kinetic-theory-based continuum models and discrete-particle simulations is found for a range for conditions. Furthermore, discrete

  7. Effect of the structure of Pt-Ru/C particles on CO{sub ad} monolayer vibrational properties and electrooxidation kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Maillard, Frederic; Chatenet, Marian [Laboratoire d' Electrochimie et de Physico-chimie des Materiaux et des Interfaces, UMR 5631, CNRS/INPG/UJF, 1130 rue de la Piscine, BP75, 38402 Saint Martin d' Heres (France); Bonnefont, Antoine [Laboratoire d' Electrochimie et de Chimie Physique du Corps Solide, Institut de chimie, UMR 7177, CNRS/Universite Louis Pasteur, 4 rue Blaise Pascal, 67000 Strasbourg (France); Guetaz, Laure [Grenoble Electron Microscopy at Minatec, LITEN/DTH/LCPEM, CEA-Grenoble, 38054 Grenoble Cedex 9 (France); Doisneau-Cottignies, Beatrice [Science et Ingenierie Materiaux Procedes, 1130 rue de la Piscine, BP75, 38402 Saint Martin d' Heres (France); Roussel, Herve [Laboratoire des Materiaux et du Genie Physique, Institut National Polytechnique de Grenoble, Minatec, 3 parvis Louis Neel, BP 257, 38016 Grenoble Cedex 1 (France); Stimming, Ulrich [Physik Department E19, Technische Universitaet, Muenchen, D-85748 Garching bei Muenchen (Germany)

    2007-12-01

    In this paper, we combined FTIR spectroscopy and CO{sub ad} stripping voltammetry to investigate CO{sub ad} adsorption and electrooxidation on Pt-Ru/C nanoparticles. The Pt:Ru elemental composition and the metal loading were determined by ICP-AES. The X-ray diffraction patterns of the Pt-Ru/C indicated formation of a Pt-Ru (fcc) alloy. HREM images revealed an increase in the fraction of agglomerated Pt-Ru/C particles with increasing the metal loading and showed that agglomerated Pt-Ru/C nanoparticles present structural defects such as twins or grain boundaries. In addition, isolated Pt-Ru/C nanoparticles have similar mean particle size (ca. 2.5 nm) and particle size distributions whatever the metal loading. Therefore, we could determine precisely the effect of particle agglomeration on the CO{sub ad} vibrational properties and electrooxidation kinetics. FTIR measurements revealed a main CO{sub ad} stretching band at ca. {sub anti} {sub {nu}}{sub CO{sub L}}=2030 cm{sup -1}, which we ascribed to a-top CO{sub ad} on Pt domains electronically modified by the presence of Ru. As the metal loading increased, the position of this band was blue shifted by ca. 5 cm{sup -1} and a shoulder around 2005 cm{sup -1} developed, which was ascribed to a-top CO{sub ad} on Ru domains. The reason for this was suggested to be the increasing size of Ru domains on agglomerated Pt-Ru/C particles, which lifts dipole-dipole coupling and allows two vibrational features to be observed (CO{sub ad}/Ru, CO{sub ad}/Pt). This is evidence that FTIR spectroscopy can be used to probe small chemical fluctuations of the Pt-Ru/C surface. Finally, we comment on the CO{sub ad} electrooxidation kinetics. We observed that CO{sub ad} was converted more easily into CO{sub 2} as the metal loading, i.e. the fraction of agglomerated Pt-Ru/C nanoparticles, increased. (author)

  8. Kinetics Modeling of Cancer Immunology.

    Science.gov (United States)

    1986-05-09

    CANCER IMMUNOLOGY -1 DTICS ELECTED SEP 9 8 UNITED STATES NAVAL ACADEMY ANNAPOLIS, MARYLAND V ,1986 %,e docment ha le approved for public A." I and sale...1986 4. TITLE (and Subtitle) S. TYPE OF REPORT & PERIOD COVERED KINETICS MODELING OF CANCER IMMUNOLOGY Final: 1985/1986 6. PERFORMING ORG. REPORT...137 (1986) "Kinetics Modeling of Cancer Immunology " A Trident Scholar Project Report by Midn I/C Scott Helmers, Class of 1986 United States Naval

  9. Kinetics and

    Directory of Open Access Journals (Sweden)

    Mojtaba Ahmadi

    2016-11-01

    Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.

  10. Kinetics and mechanism of desulfurization and denitrogenation of coal-derived liquids. Eighth quarterly report, March 21--June 20, 1977

    Energy Technology Data Exchange (ETDEWEB)

    Gates, B. C.; Katzer, J. R.; Olson, J. H.; Kwart, H.; Stiles, A. B.

    1977-08-25

    Three high-pressure flow microreactors and two batch autoclave reactors have been used to study the reaction networks and kinetics of (1) catalytic hydrodesulfurization of dibenzothiophene and methyl-substituted dibenzothiophenes and (2) catalytic hydrodenitrogenation of quinoline, methyl-substituted quinolines, and carbazole. At the typical conditions of 300/sup 0/C and 104 atm, dibenzothiophene reacts to give H/sub 2/S and biphenyl in high yield, but there is some hydrogenation preceding desulfurization. Methyl-substituted dibenzothiophenes react similarly, and each reaction is first-order in the sulfur-containing compound. Two methyl groups near the sulfur atom (in the 4 and 6 positions) reduce the reactivity tenfold, whereas methyl groups in positions further removed from the sulfur atom increase reactivity about twofold. The results are consistent with steric and inductive effects influencing adsorption. The data indicate competitive adsorption among the sulfur-containing compounds. In quinoline hydrodenitrogenation, both rings are saturated before the C-N bond is broken. Similarly, in acridine conversion, a large amount of hydrogenation precedes nitrogen removal. Breaking of the carbon-nitrogen bond is evidently one of the slower reactions in the network. The Ni-Mo catalyst is about twice as active as the Co-Mo catalyst for ring hydrogenation, and the two catalysts are about equally active for breaking the carbon-nitrogen bond. Reactivity of carbazole is similar to that of quinoline and lower than that of acridine. Again, extensive hydrogenation precedes heteratom removal.

  11. Dehydrated olive-waste cake as a source of high value-added bioproduct: Drying kinetics, physicochemical properties, and bioactive compounds

    Directory of Open Access Journals (Sweden)

    Elsa Uribe

    2014-09-01

    Full Text Available Olive (Olea europaea L. oil processing produces significant amount of waste that can be utilized for the production of high value-added ingredients for various industrial applications. In this work, the effects of temperature on drying kinetics and quality indexes of the olive-waste cake during convective dehydration (40-90 °C were investigated. Results on effective moisture diffusivity, physicochemical parameters, fatty acid profile, total phenolic, flavonoid, and flavanol contents as well as antioxidant capacity are also reported. Most of the fatty acids increased their content with respect to control sample with a temperature increase, i.e. oleic and linoleic acids increased 48% and 43% at 70 and 40 °C, respectively. Total flavanol content increased with temperature (48-62 mg catechin equivalents [CTE] 100 g-1 DM except for 80 °C. Total phenolic and total flavonoid contents were highly correlated to antioxidant capacity (0.923 < r < 0.992, except for 70 and 80 °C, the rest of the samples maintained their initial antioxidant capacity by ORAC analysis. Thus, these parameters show that dried olive-waste cake has a high bioactive compounds with potential use as additives for the food or other industries.

  12. Synergic effects of ion irradiations (La, Ce) and alkaline pretreatment (KOH) on hydriding kinetic property of a Mm–Ni based alloy

    Energy Technology Data Exchange (ETDEWEB)

    Abe, H., E-mail: abe.hiroshi10@jaea.go.jp [Quantum Beam Science Directorate, Japan Atomic Energy Agency, 1233 Watanuki, Takasaki, Gunma 370-1292 (Japan); Aone, S.; Morimoto, R.; Uchida, H. [Course of Applied Science, Graduate School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan)

    2013-12-15

    Highlights: •Ion irradiations by various ions onto a Mm–Ni based hydrogen storage alloy. •The generation of vacancy type defects by ion irradiations in the surface of a Mm–Ni based alloy. •The enhancement of the initial rate by the ion irradiations of the Mm surface. •The enhancement of the initial rate by an alkaline treatment of the Mm surface. -- Abstract: The ion beam irradiation is known to produce a high density of vacancy type defects in the surface region of a metal and found to be an effective method as a surface modification in order to enhance the hydriding rate of a metal. In this study, we examined synergic effects of both surface modifications of ion irradiations and alkaline treatment on the initial hydriding rate of a Mm–Ni based alloy. In this study, the irradiations by lanthanum (La) and cerium (Ce) ions combined with an alkaline KOH pretreatment were found much more effective in the enhancement of the initial hydriding rate compared with irradiations with other ions. This study reports the synergic effects of the surface modifications by the both the surface irradiations with rare earth ions of La and Ce, and an alkaline surface treatment on the hydriding kinetics.

  13. Erbium hydride decomposition kinetics.

    Energy Technology Data Exchange (ETDEWEB)

    Ferrizz, Robert Matthew

    2006-11-01

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

  14. The influence of water on visible-light initiated free-radical/cationic ring-opening hybrid polymerization of methacrylate/epoxy: Polymerization kinetics, crosslinking structure and dynamic mechanical properties

    OpenAIRE

    2015-01-01

    The objective of this study was to determine the influence of water on the polymerization kinetics, crosslinking structure and dynamic mechanical properties of methacrylate/epoxy polymers cured by visible-light initiated free-radical/cationic ring-opening hybrid polymerization. Water-containing formulations were prepared by adding ~4–7 wt% D2O depending on the water miscibility of monomer resins. The water-containing adhesives were compared with the adhesives photo-cured in the absence of wat...

  15. The Anti-cancer Drug Chlorambucil as a Substrate for the Human Polymorphic Enzyme Glutathione Transferase P1-1: Kinetic Properties and Crystallographic Characterisation of Allelic Variants

    Energy Technology Data Exchange (ETDEWEB)

    Parker, Lorien J.; Ciccone, Sarah; Italiano, Louis C.; Primavera, Alessandra; Oakley, Aaron J.; Morton, Craig J.; Hancock, Nancy C.; Bello, Mario Lo; Parker, Michael W. (SVIMR-A); (Melbourne); (Rome)

    2008-08-04

    The commonly used anti-cancer drug chlorambucil is the primary treatment for patients with chronic lymphocytic leukaemia. Chlorambucil has been shown to be detoxified by human glutathione transferase Pi (GST P1-1), an enzyme that is often found over-expressed in cancer tissues. The allelic variants of GST P1-1 are associated with differing susceptibilities to leukaemia and differ markedly in their efficiency in catalysing glutathione (GSH) conjugation reactions. Here, we perform detailed kinetic studies of the allelic variants with the aid of three representative co-substrates. We show that the differing catalytic properties of the variants are highly substrate-dependent. We show also that all variants exhibit the same temperature stability in the range 10 C to 45 C. We have determined the crystal structures of GST P1-1 in complex with chlorambucil and its GSH conjugate for two of these allelic variants that have different residues at positions 104 and 113. Chlorambucil is found to bind in a non-productive mode to the substrate-binding site (H-site) in the absence of GSH. This result suggests that under certain stress conditions where GSH levels are low, GST P1-1 can inactivate the drug by sequestering it from the surrounding medium. However, in the presence of GSH, chlorambucil binds in the H-site in a productive mode and undergoes a conjugation reaction with GSH present in the crystal. The crystal structure of the GSH-chlorambucil complex bound to the *C variant is identical with the *A variant ruling out the hypothesis that primary structure differences between the variants cause structural changes at the active site. Finally, we show that chlorambucil is a very poor inhibitor of the enzyme in contrast to ethacrynic acid, which binds to the enzyme in a similar fashion but can act as both substrate and inhibitor.

  16. The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.

    Science.gov (United States)

    Parker, Lorien J; Ciccone, Sarah; Italiano, Louis C; Primavera, Alessandra; Oakley, Aaron J; Morton, Craig J; Hancock, Nancy C; Bello, Mario Lo; Parker, Michael W

    2008-06-27

    The commonly used anti-cancer drug chlorambucil is the primary treatment for patients with chronic lymphocytic leukaemia. Chlorambucil has been shown to be detoxified by human glutathione transferase Pi (GST P1-1), an enzyme that is often found over-expressed in cancer tissues. The allelic variants of GST P1-1 are associated with differing susceptibilities to leukaemia and differ markedly in their efficiency in catalysing glutathione (GSH) conjugation reactions. Here, we perform detailed kinetic studies of the allelic variants with the aid of three representative co-substrates. We show that the differing catalytic properties of the variants are highly substrate-dependent. We show also that all variants exhibit the same temperature stability in the range 10 degrees C to 45 degrees C. We have determined the crystal structures of GST P1-1 in complex with chlorambucil and its GSH conjugate for two of these allelic variants that have different residues at positions 104 and 113. Chlorambucil is found to bind in a non-productive mode to the substrate-binding site (H-site) in the absence of GSH. This result suggests that under certain stress conditions where GSH levels are low, GST P1-1 can inactivate the drug by sequestering it from the surrounding medium. However, in the presence of GSH, chlorambucil binds in the H-site in a productive mode and undergoes a conjugation reaction with GSH present in the crystal. The crystal structure of the GSH-chlorambucil complex bound to the *C variant is identical with the *A variant ruling out the hypothesis that primary structure differences between the variants cause structural changes at the active site. Finally, we show that chlorambucil is a very poor inhibitor of the enzyme in contrast to ethacrynic acid, which binds to the enzyme in a similar fashion but can act as both substrate and inhibitor.

  17. Kinetic properties and heme pocket structure of two domains of the polymeric hemoglobin of Artemia in comparison with the native molecule.

    Science.gov (United States)

    Borhani, Heshmat Akbari; Berghmans, Herald; Trashin, Stanislav; De Wael, Karolien; Fago, Angela; Moens, Luc; Habibi-Rezaei, Mehran; Dewilde, Sylvia

    2015-10-01

    In this project, we studied some physicochemical properties of two different globin domains of the polymeric hemoglobin of the brine shrimp Artemia salina and compared them with those of the native molecule. Two domains (AsHbC1D1 and AsHbC1D5) were cloned and expressed in BL21(DE3)pLysS strain of Escherichia coli. The recombinant proteins as well as the native hemoglobin (AfHb) were purified from bacteria and frozen Artemia, respectively by standard chromatographic methods and assessed by SDS-PAGE. The heme environment of these proteins was studied by optical spectroscopy and ligand-binding kinetics (e.g. CO association and O2 binding affinity) were measured for the two recombinant proteins and the native hemoglobin. This indicates that the CO association rate for AsHbC1D1 is higher than that of AsHbC1D5 and AfHb, while the calculated P50 value for AsHbC1D1 is lower than that of AsHbC1D5 and AfHb. The geminate and bimolecular rebinding parameters indicate a significant difference between both domains. Moreover, EPR results showed that the heme pocket in AfHb is in a more closed conformation than the heme pocket in myoglobin. Finally, the reduction potential of -0.13V versus the standard hydrogen electrode was determined for AfHb by direct electrochemical measurements. It is about 0.06V higher than the potential of the single domain AsHbC1D5. This work shows that each domain in the hemoglobin of Artemia has different characteristics of ligand binding.

  18. Effect of insulin and contraction on glycogen synthase phosphorylation and kinetic properties in epitrochlearis muscles from lean and obese Zucker rats.

    Science.gov (United States)

    Lin, Fang Chin; Bolling, Astrid; Stuenæs, Jorid T; Cumming, Kristoffer T; Ingvaldsen, Ada; Lai, Yu-Chiang; Ivy, John L; Jensen, Jørgen

    2012-05-15

    In the present study, the effects of insulin and contraction on glycogen synthase (GS) kinetic properties and phosphorylation were investigated in epitrochlearis muscles from lean and obese Zucker rats. Total GS activity and protein expression were ~15% lower in epitrochlearis from obese rats compared with lean rats. Insulin-stimulated GS fractional activity and affinity for UDP-glucose were lower (higher K(m)) in muscles from obese rats. GS Ser(641) and Ser(645,649,653,657) phosphorylation was higher in insulin-stimulated muscles from obese rats, which agreed with lower GS activation. Contraction-mediated GS dephosphorylation of Ser(641), Ser(641+645), Ser(645,649,653,657), and Ser(7+10) was normal in muscles from obese Zucker rats, and GS fractional activity increased to similar levels in epitrochlearis muscles from lean and obese rats. GS affinity for UDP glucose was ~0.8, ~0.4, and ~0.1 mM with assay buffers containing 0, 0.17, and 12 mM glucose 6-phosphate, respectively. Contraction increased affinity for UDP-glucose (reduced K(m)) at a physiological concentration of glucose 6-phosphate (0.17 mM) to ~0.2 mM in muscles from both lean and obese rats. Interestingly, in the absence of glucose 6-phosphate in the assay buffer, contraction (and insulin) did not influence GS affinity for UDP-glucose, indicating that affinity is regulated by sensitivity for glucose 6-phosphate. In conclusion, contraction-mediated activation and dephosphorylation of GS were normal in muscles from obese Zucker rats, whereas insulin-mediated GS activation and dephosphorylation were impaired.

  19. Kinetic measurements on the silicates of the Yucca Mountain potential repository. Final report for October 1994--September 1995

    Energy Technology Data Exchange (ETDEWEB)

    Barnes, H.L.; Wilkin, R.T. [Pennsylvania State Univ., University Park, PA (United States). Ore Deposits Research Section

    1995-08-01

    This Final Report includes a summary and discussion of results obtained under this project on the solubilities in subcritical aqueous solutions of Mont St. Hilaire analcime, Wikieup analcime, and Castle Creek Na-clinoptilolite. Also included here are the methods and results of hydrothermal flow-through experiments designed to measure the rates of Na-clinoptilolite dissolution and precipitation at 125{degree}C. In this report, high-temperature solubility measurements made in our lab are integrated and discussed along with the low-temperature measurements made at Yale University. The final report prepared by the group at Yale University (Lasaga et al.) includes a synthesis of dissolution rate measurements made between 25{degree} and 125{degree}C on the Na-clinoptilolite.

  20. 41 CFR 102-36.305 - May we abandon or destroy excess personal property without reporting it to GSA?

    Science.gov (United States)

    2010-07-01

    ... written determination that the property has no commercial value or the estimated cost of its continued... destroy excess personal property without reporting it to GSA? 102-36.305 Section 102-36.305 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 36-DISPOSITION OF EXCESS PERSONAL PROPERTY Disposition of Excess...

  1. 41 CFR 102-41.150 - What special information do we provide on reports of unclaimed personal property?

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What special information do we provide on reports of unclaimed personal property? 102-41.150 Section 102-41.150 Public... UNCLAIMED PERSONAL PROPERTY Unclaimed Personal Property § 102-41.150 What special information do we...

  2. Establishment of a Uniform Format for Data Reporting of Structural Material Properties for Reliability Analysis

    Science.gov (United States)

    1994-06-30

    uniaxial yield strength of HY80 steels . The following is a description of a potential flow pattern of the database data retrieval program. i) The...Emphasis is placed on strength and toughness properties of marine steels and their welds. The format developed and reported in the SSC report 352 was...Parent M aterial ................................... 58 5.1.1 A Hierarchy for Pooling Tensile Data of Marine Structural Steels (Appendix B

  3. Kinetic Biochemistry

    Directory of Open Access Journals (Sweden)

    Lorentz JÄNTSCHI

    2003-03-01

    Full Text Available Mathematics and computer programming have a major contribution to chemistry. Two directions can be identified: one that searches and tries (rich to explain the structural binding and shape of the chemical compounds [1] with major applications in QSPR/QSAR studies [2], and applied sciences such as engineering of materials or agriculture [3]; the second direction is to models the kinetic processes that are involved in chemical reactions [4]. Many such models are available here. The present paper describes three variants of well the known kinetic models and presents the mathematical equations associated with them. The differential equations are numerically solved and fitted with MathCad program. [1] Diudea M., Gutman I., Jäntschi L., Molecular Topology, Nova Science, Huntington, New York, 332 p., 2001, 2002. [2] Diudea M. V., Ed., QSPR / QSAR Studies by Molecular Descriptors, Nova Science, Huntington, New York, 438 p., 2001. [3] Jäntschi L., Microbiology and Toxicology. Phytochemistry Studies (in Romanian, Amici, Cluj-Napoca, 184 p., 2003. [4] Jäntschi L., Unguresan M., Physical Chemistry. Molecular Kinetic and Dynamic (in Romanian, Mediamira, Cluj-Napoca, 159 p., 2001.

  4. Kinetic inhibition of natural gas hydrates in offshore drilling, production, and processing. Annual report, January 1--December 31, 1994

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1994-12-31

    Natural gas hydrates are crystalline materials formed of natural gas and water at elevated pressures and reduced temperatures. Because natural gas hydrates can plug drill strings, pipelines, and process equipment, there is much effort expended to prevent their formation. The goal of this project was to provide industry with more economical hydrate inhibitors. The specific goals for the past year were to: define a rational approach for inhibitor design, using the most probable molecular mechanism; improve the performance of inhibitors; test inhibitors on Colorado School of Mines apparatuses and the Exxon flow loop; and promote sharing field and flow loop results. This report presents the results of the progress on these four goals.

  5. Theory of chemical kinetics. Progress report, May 1, 1977--January 15, 1978. [Massachusetts Inst. of Tech. , Cambridge

    Energy Technology Data Exchange (ETDEWEB)

    Ross, J

    1978-01-01

    Recent work on Franck--Condon factors in studies of the dynamics of chemical reactions is related; emphasis was on simple chemical rearrangement reactions. Other work concerned collision-free unimolecular decomposition of large molecules at a given total energy, equations of motion for simple quantum systems that are strongly driven by an external field and are modulated stochastically by a coupling to a bath, and the efficiency of rate processes in irreversible chemical reactions. This report is descriptive in nature; results of the work have been published in appropriate journals, and an extensive publication list is included. (RWR)

  6. Measurement properties of patient-reported outcome measures (PROMS) in Patellofemoral Pain Syndrome: a systematic review.

    Science.gov (United States)

    Green, Andrew; Liles, Clive; Rushton, Alison; Kyte, Derek G

    2014-12-01

    This systematic review investigated the measurement properties of disease-specific patient-reported outcome measures used in Patellofemoral Pain Syndrome. Two independent reviewers conducted a systematic search of key databases (MEDLINE, EMBASE, AMED, CINHAL+ and the Cochrane Library from inception to August 2013) to identify relevant studies. A third reviewer mediated in the event of disagreement. Methodological quality was evaluated using the validated COSMIN (Consensus-based Standards for the Selection of Health Measurement Instruments) tool. Data synthesis across studies determined the level of evidence for each patient-reported outcome measure. The search strategy returned 2177 citations. Following the eligibility review phase, seven studies, evaluating twelve different patient-reported outcome measures, met inclusion criteria. A 'moderate' level of evidence supported the structural validity of several measures: the Flandry Questionnaire, Anterior Knee Pain Scale, Functional Index Questionnaire, Eng and Pierrynowski Questionnaire and Visual Analogue Scales for 'usual' and 'worst' pain. In addition, there was a 'Limited' level of evidence supporting the test-retest reliability and validity (cross-cultural, hypothesis testing) of the Persian version of the Anterior Knee Pain Scale. Other measurement properties were evaluated with poor methodological quality, and many properties were not evaluated in any of the included papers. Current disease-specific outcome measures for Patellofemoral Pain Syndrome require further investigation. Future studies should evaluate all important measurement properties, utilising an appropriate framework such as COSMIN to guide study design, to facilitate optimal methodological quality.

  7. Kinetic analysis of the non-isothermal crystallization process, magnetic and mechanical properties of FeCoBSiNb and FeCoBSiNbCu bulk metallic glasses

    Science.gov (United States)

    Ramasamy, Parthiban; Stoica, Mihai; Taghvaei, A. H.; Prashanth, K. G.; Ravi Kumar, Eckert, Jürgen

    2016-02-01

    The crystallization kinetics of [(Fe0.5Co0.5)0.75B0.2Si0.05]96Nb4 and {[(Fe0.5Co0.5)0.75B0.2Si0.05]0.96Nb0.04}99.5Cu0.5 bulk metallic glasses were evaluated using differential scanning calorimetry under non-isothermal condition. The fully glassy rods with diameters up to 2 mm were obtained by copper mold injection casting. Both glasses show good thermal stability, but the addition of only 0.5% Cu completely changes the crystallization behavior. The average activation energy required for crystallization decreases from 645 kJ/mol to 425 kJ/mol after Cu addition. Upon heating, the Cu-free alloy forms only the metastable Fe23B6 phase. In contrast, two well-separated exothermic events are observed for the Cu-added bulk glassy samples. First, the (Fe,Co) phase nucleates and then (Fe,Co)2B and/or (Fe,Co)3B crystallize from the remaining glassy matrix. The Cu-added alloy exhibits a lower coercivity and a higher magnetic saturation than the base alloy, both in as-cast as well as in annealed condition. Besides, the Cu-added glassy sample with 2 mm diameter exhibits a maximum compressive fracture strength of 3913 MPa together with a plastic strain of 0.6%, which is highest plastic strain ever reported for 2 mm diameter ferromagnetic bulk metallic glass sample. Although Cu addition improves the magnetic and mechanical properties of the glass, it affects the glass-forming ability of the base alloy.

  8. Kinetic Damage from Meteorites

    Science.gov (United States)

    Cooke, W.; Brown, P.; Matney, M.

    2017-01-01

    Comparing the natural meteorite flux at the Earth's surface to that of space debris, re-entering debris is 2 orders of magnitude less of a kinetic hazard at all but the very largest (and therefore rarest) sizes compared to natural impactors. Debris re-entries over several metric tonnes are roughly as frequent as natural impactors, but the survival fraction is expected to be much higher. Kinetic hazards from meteorites are very small, with only one recorded (indirect) injury reported. We expect fatalities to be even more rare, on the order of one person killed per several millennia. That several reports exist of small fragments/sand hitting people during meteorite falls is consistent with our prediction that this should occur every decade or so.

  9. Reaction networks and kinetics of biochemical systems.

    Science.gov (United States)

    Arceo, Carlene Perpetua P; Jose, Editha C; Lao, Angelyn R; Mendoza, Eduardo R

    2017-01-01

    This paper further develops the connection between Chemical Reaction Network Theory (CRNT) and Biochemical Systems Theory (BST) that we recently introduced [1]. We first use algebraic properties of kinetic sets to study the set of complex factorizable kinetics CFK(N) on a CRN, which shares many characteristics with its subset of mass action kinetics. In particular, we extend the Theorem of Feinberg-Horn [9] on the coincidence of the kinetic and stoichiometric subsets of a mass action system to CF kinetics, using the concept of span surjectivity. We also introduce the branching type of a network, which determines the availability of kinetics on it and allows us to characterize the networks for which all kinetics are complex factorizable: A "Kinetics Landscape" provides an overview of kinetics sets, their algebraic properties and containment relationships. We then apply our results and those (of other CRNT researchers) reviewed in [1] to fifteen BST models of complex biological systems and discover novel network and kinetic properties that so far have not been widely studied in CRNT. In our view, these findings show an important benefit of connecting CRNT and BST modeling efforts. Copyright © 2016 Elsevier Inc. All rights reserved.

  10. NUMERICAL EVALUATION OF THE EFFECTS OF SOFT-MELTING PROPERTIES ON THE KINETIC OF (CAFE2 O4 -CA2 FE2 O5 FORMATION IN THE IRON ORE SINTERING PROCESS

    Directory of Open Access Journals (Sweden)

    José Adilson de Castro

    2013-03-01

    Full Text Available This paper presents a mathematical model able to predict the influence of soft-melting properties of the blend of raw materials used in the iron ore sintering process in the kinetic formation of calcium ferrite and di-calcium ferrite constituents. The model is based on the simultaneous solution of transport equations of Momentum, energy and chemical species in multiphase multicomponent systems coupled with the chemical reactions kinetics and phase transformations that occur within the sinter bed. The numerical solution is obtained using the finite volume method and the model is validated using monitoring data from an industrial scale sintering plant. After validation, the model was used to predict processing conditions using raw materials with different soft-melting properties. Results indicate that the temperatures of starting soft-melting, shrinkage and melting range are the main parameters to be controlled in order to attain liquid phases formation responsible to confer good mechanical and reducibility properties for the sinter product. In this study was found that raw materials with high soft-melting temperature and wilder temperature of mushy zone could decrease up to 30% the calcium ferrites formation and hence deteriorates the metallurgical properties of the sinter.

  11. Buprenorphine kinetics.

    Science.gov (United States)

    Bullingham, R E; McQuay, H J; Moore, A; Bennett, M R

    1980-11-01

    Buprenorphine kinetics was determined in surgical patients using radioimmunoassay. Buprenorphine was measured in the plasma of 24 patients who had received 0.3 mg buprenorphine intraoperatively. After 3 hr 10 of these patients then received a further 0.3 mg buprenorphine intravenously for postoperative pain relief, and 11 patients were given 0.3 mg intramuscularly; again, plasma levels were measured for 3 hr. The data fitted closely to a triexponential decay curve. There was a very fast initial phase, with a half-life (t1/2) of 2 min. The terminal t1/2 was slow, approximately 3 hr. Comparison of the kinetics of the same patient, awake and anesthetized, showed that the clearance was significantly lower in the anesthetized state. A notable feature of the drug given intramuscularly is rapid systemic availability, so that peaks are obtained in 2 to 5 min, and in 10 min the resulting levels are the same as for the intravenous and intramuscular routes.

  12. The Kinetics of Enzyme Mixtures

    Directory of Open Access Journals (Sweden)

    Simon Brown

    2014-03-01

    Full Text Available Even purified enzyme preparations are often heterogeneous. For example, preparations of aspartate aminotransferase or cytochrome oxidase can consist of several different forms of the enzyme. For this reason we consider how different the kinetics of the reactions catalysed by a mixture of forms of an enzyme must be to provide some indication of the characteristics of the species present. Based on the standard Michaelis-Menten model, we show that if the Michaelis constants (Km of two isoforms differ by a factor of at least 20 the steady-state kinetics can be used to characterise the mixture. However, even if heterogeneity is reflected in the kinetic data, the proportions of the different forms of the enzyme cannot be estimated from the kinetic data alone. Consequently, the heterogeneity of enzyme preparations is rarely reflected in measurements of their steady-state kinetics unless the species present have significantly different kinetic properties. This has two implications: (1 it is difficult, but not impossible, to detect molecular heterogeneity using kinetic data and (2 even when it is possible, a considerable quantity of high quality data is required.

  13. Thermophysical properties. Quarterly report, 1 July 1992--30 September 1992

    Energy Technology Data Exchange (ETDEWEB)

    Kayser, R.F.

    1992-10-01

    Numerous fluids have been identified as promising alternative refrigerants, but much of the information needed to predict their behavior as pure fluids and as components in mixtures does not exist. In particular, reliable thermophysical properties data and models are needed to predict the performance of the new refrigerants in heating and cooling equipment, and to design and optimize equipment to be reliable and energy efficient. Objective of this project is to provide highly accurate, selected thermophysical properties data for Refrigerants 32, 123, 124, and 125, and to use these data to fit simple and complex equations of state and detailed transport property models. The new data will fill gaps in the existing data sets and resolve the problems and uncertainties that exist in and between the data sets. This report describes the progress made during the third quarter of this fifteen-month project, which was initiated in late January, 1992.

  14. Reporting on the temporal properties of visual events masked with continuous flash suppression.

    Science.gov (United States)

    Riddle, Travis; Lau, Hakwan; Sparrow, Betsy

    2015-11-01

    To what extent can individuals introspect on dynamic properties of masked stimuli? Specifically, can observers report about the order in which a visual stimulus occurs, relative to a behavior, even when that stimulus is dramatically reduced in visibility via masking? Masking stimuli using continuous flash suppression, we asked participants to report on whether the stimulus appeared before or after a button-press. Data collected across three studies are consistent with the notion that information on the temporal order of events is preserved even when the visibility of the event in question is impoverished. These data may suggest that dynamic properties of masked stimuli are a promising set of features for understanding questions regarding an observer's perceptual experience and limitations of high-level information processing. Copyright © 2015 Elsevier Inc. All rights reserved.

  15. FY 2010 Fourth Quarter Report: Evaluation of the Dependency of Drizzle Formation on Aerosol Properties

    Energy Technology Data Exchange (ETDEWEB)

    Lin, W; McGraw, R; Liu, Y; Wang, J; Vogelmann, A; Daum, PH

    2010-10-01

    Metric for Quarter 4: Report results of implementation of composite parameterization in single-column model (SCM) to explore the dependency of drizzle formation on aerosol properties. To better represent VOCALS conditions during a test flight, the Liu-Duam-McGraw (LDM) drizzle parameterization is implemented in the high-resolution Weather Research and Forecasting (WRF) model, as well as in the single-column Community Atmosphere Model (CAM), to explore this dependency.

  16. Kinetics and mechanisms of the oxidation of alcohols and hydroxylamines by hydrogen peroxide, catalyzed by methyltrioxorhenium, MTO, and the oxygen binding properties of cobalt Schiff base complexes

    Energy Technology Data Exchange (ETDEWEB)

    Zauche, Timothy [Iowa State Univ., Ames, IA (United States)

    1999-02-12

    Catalysis is a very interesting area of chemistry, which is currently developing at a rapid pace. A great deal of effort is being put forth by both industry and academia to make reactions faster and more productive. One method of accomplishing this is by the development of catalysts. Enzymes are an example of catalysts that are able to perform reactions on a very rapid time scale and also very specifically; a goal for every man-made catalyst. A kinetic study can also be carried out for a reaction to gain a better understanding of its mechanism and to determine what type of catalyst would assist the reaction. Kinetic studies can also help determine other factors, such as the shelf life of a chemical, or the optimum temperature for an industrial scale reaction. An area of catalysis being studied at this time is that of oxygenations. Life on this earth depends on the kinetic barriers for oxygen in its various forms. If it were not for these barriers, molecular oxygen, water, and the oxygenated materials in the land would be in a constant equilibrium. These same barriers must be overcome when performing oxygenation reactions on the laboratory or industrial scale. By performing kinetic studies and developing catalysts for these reactions, a large number of reactions can be made more economical, while making less unwanted byproducts. For this dissertation the activation by transition metal complexes of hydrogen peroxide or molecular oxygen coordination will be discussed.

  17. Comparative study of cellular kinetics of reporter probe [{sup 131}I]FIAU in neonatal cardiac myocytes after transfer of HSV1-tk reporter gene with two vectors

    Energy Technology Data Exchange (ETDEWEB)

    Lan Xiaoli [Department of Nuclear Medicine, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430022 (China); Hubei Province Key Laboratory of Molecular Imaging, Wuhan 430022 (China)], E-mail: lxl730724@hotmail.com; Yin Xiaohua; Wang Ruihua; Liu Ying [Department of Nuclear Medicine, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430022 (China); Hubei Province Key Laboratory of Molecular Imaging, Wuhan 430022 (China); Zhang Yongxue [Department of Nuclear Medicine, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430022 (China) and Hubei Province Key Laboratory of Molecular Imaging, Wuhan 430022 (China)], E-mail: zhyx1229@163.com

    2009-02-15

    Aim: Reporter gene imaging is a promising approach for noninvasive monitoring of cardiac gene therapy. In this study, HSV1-tk (herpes simplex virus type 1 thymidine kinase) and FIAU (2'-fluoro-2'-deoxy-1-{beta}-D-arabinofuranosyl-5-iodouracil) were used as the reporter gene and probe, respectively. Cellular uptakes of radiolabeled FIAU of neonatal rat cardiac myocytes transferred with HSV1-tk were compared between two vectors, adenovirus and liposome. The aims of this study were to choose the better vector and to provide a theoretical basis for good nuclide images. Methods: Neonatal cardiac myocytes were obtained from rat heart by single collagenase digestion. HSV1-tk inserted into adenovirus vector (recombinant adenovirus type 5, Ad5-tk) and plasmid (pDC316-tk) coated with Lipofectamine 2000 (pDC316-tk/lipoplex) were developed; thus, HSV1-tk could be transferred into neonatal cardiac myocytes. FAU (2'-fluoro-2'-deoxy-1-{beta}-D-arabinofuranosyluracil) was labeled with {sup 131}I, and the product was assessed after purification with reversed-phase Sep-Pak C-18 column. The uptake rates of [{sup 131}I]FIAU in the transferred cardiac myocytes at different times (0.5, 1, 2, 3, 4 and 5 h) were detected. Furthermore, mRNA expression and protein expression of HSV1-tk were detected by semiquantitative reverse-transcriptase polymerase chain reaction and immunocytochemistry. Results: FAU could be labeled with {sup 131}I, and the labeling efficiency and radiochemical purity rates were 53.82{+-}2.05% and 94.85{+-}1.76%, respectively. Time-dependent increase of the accumulation of [{sup 131}I]FIAU was observed in both the Ad5-tk group and the pDC316/lipoplex group, and the highest uptake rate occurred at 5 h, with peak values of 12.55{+-}0.37% and 2.09{+-}0.34%, respectively. Greater uptakes of [{sup 131}I]FIAU in Ad5-tk-infected cells compared with pDC316/lipoplex-transfected ones occurred at all the time points (t=12.978-38.253, P<.01). The exogenous gene

  18. Thermodynamic and kinetic characterisation of individual haems in multicentre cytochromes c3.

    Science.gov (United States)

    Paquete, Catarina M; Turner, David L; Louro, Ricardo O; Xavier, António V; Catarino, Teresa

    2007-09-01

    The characterisation of individual centres in multihaem proteins is difficult due to the similarities in the redox and spectroscopic properties of the centres. NMR has been used successfully to distinguish redox centres and allow the determination of the microscopic thermodynamic parameters in several multihaem cytochromes c(3) isolated from different sulphate-reducing bacteria. In this article we show that it is also possible to discriminate the kinetic properties of individual centres in multihaem proteins, if the complete microscopic thermodynamic characterisation is available and the system displays fast intramolecular equilibration in the time scale of the kinetic experiment. The deconvolution of the kinetic traces using a model of thermodynamic control provides a reference rate constant for each haem that does not depend on driving force and can be related to structural factors. The thermodynamic characterisation of three tetrahaem cytochromes and their kinetics of reduction by sodium dithionite are reported in this paper. Thermodynamic and kinetic data were fitted simultaneously to a model to obtain microscopic reduction potentials, haem-haem and haem-proton interacting potentials, and reference rate constants for the haems. The kinetic information obtained for these cytochromes and recently published data for other multihaem cytochromes is discussed with respect to the structural factors that determine the reference rates. The accessibility for the reducing agent seems to play an important role in controlling the kinetic rates, although is clearly not the only factor.

  19. Programmatic Environmental Report for remedial actions at UMTRA (Uranium Mill Tailings Remedial Action) Project vicinity properties

    Energy Technology Data Exchange (ETDEWEB)

    1985-03-01

    This Environmental Report (ER) examines the environmental consequences of implementing a remedial action that would remove radioactive uranium mill tailings and associated contaminated materials from 394 vicinity properties near 14 inactive uranium processing sites included in the Uranium Mill Tailings Remedial Action (UMTRA) Project pursuant to Public Law 95--604, the Uranium Mill Tailings Radiation Control Act (UMTRCA) of 1978. Vicinity properties are those properties in the vicinity of the UMTRA Project inactive mill sites, either public or private, that are believed to be contaminated by residual radioactive material originating from one of the 14 inactive uranium processing sites, and which have been designated under Section 102(a)(1) of UMTRCA. The principal hazard associated with the contaminated properties results from the production of radon, a radioactive decay product of the radium contained in the tailings. Radon, a radioactive gas, can diffuse through the contaminated material and be released into the atmosphere where it and its radioactive decay products may be inhaled by humans. A second radiation exposure pathway results from the emission of gamma radiation from uranium decay products contained in the tailings. Gamma radiation emitted from contaminated material delivers an external exposure to the whole body. If the concentration of radon and its decay products is high enough and the exposure time long enough, or if the exposure to direct gamma radiation is long enough, cancers (i.e., excess health effects) may develop in persons living and working at the vicinity properties. 3 refs., 7 tabs.

  20. Thermodynamic properties of a geothermal working fluid; 90% isobutane-10% isopentane: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Gallagher, J.S.; Linsky, D.; Morrison, G.; Levelt Sengers, J.M.H.

    1987-04-01

    We present tables of thermodynamic properties, and dew and bubble properties, of a mixture of 90 mol % isobutane and 10 mol % isopentane, a working fluid in a binary geothermal power cycle. The tables are generated by a formulation of the Helmholtz free energy, in which the mixture properties are mapped onto the known properties of pure isobutane by means of the principle of generalized corresponding states. The data base for the Helmholtz free energy formulation is new. We report data obtained in three different apparatus: critical-line and isopentane vapor pressure data obtained in a visual cell; vapor-liquid equilibria data obtained in a mercury-operated variable-volume cell; and pressure-volume-temperature data for the 90 mol %-10 mol % mixture obtained in a semi-automated Burnett-isochoric apparatus. The principles of the methods, and estimates of the reliability, are discussed and all experimental data are compared with the surface. The results are tables of specific volume, enthalpy, entropy, specific heat and density and temperature derivatives of the pressure at 10 K temperature increments from 240 to 600 K along isobars from 0.01 to 20 MPa. Separate tables are prepared from the dew and bubble properties of the 90-10 mixture. Estimates of the effects of isomeric impurity of isobutane are given in graphical form.

  1. Optical properties of flyash. Quarterly report, 1 January--31 March 1990

    Energy Technology Data Exchange (ETDEWEB)

    Self, S.A.

    1990-04-01

    In this research program, we have adopted the approach that by measuring fundamental properties (i.e, the complex refractive index, m) of the fly ash which participates in the radiation transfer, we can use well established theoretical principles (Mie theory) to compute the radiative properties of dispersions of fly ash as found in coal combustors. With this approach one can, understand the underlying principles that affect the radiative properties of an ash dispersion and more confidently predict how variations in the characteristics of the ash dispersion cause variations in its radiative properties. An important criterion in this approach is that the fly ash particles be spherical, homogeneous, and isotropic. Fortunately, fly ash particles are formed at high temperatures at which most of them are molten, leading primarily to spherical particles. Furthermore, one should expect that molten particles will be reasonably homogeneous and isotropic. On cooling, most fly ash particles form glassy spheres which are homogeneous and isotropic. Some ash particles form hollow shells (cenospheres) while others form as particles with ``bubbles`` or voids, but most fly ash particles are well approximated as homogeneous isotropic spheres. In the following sections we review some of the underlying principles that affect the radiative properties of fly ash dispersions and report on progress that has been made during the past quarter.

  2. Kinetic buffers.

    Science.gov (United States)

    Alibrandi, Giuseppe; Fabbrizzi, Luigi; Licchelli, Maurizio; Puglisi, Antonio

    2015-01-12

    This paper proposes a new type of molecular device that is able to act as an inverse proton sponge to slowly decrease the pH inside a reaction vessel. This makes the automatic monitoring of the concentration of pH-sensitive systems possible. The device is a composite formed of an alkyl chloride, which kinetically produces acidity, and a buffer that thermodynamically modulates the variation in pH value. Profiles of pH versus time (pH-t plots) have been generated under various experimental conditions by computer simulation, and the device has been tested by carrying out automatic spectrophotometric titrations, without using an autoburette. To underline the wide variety of possible applications, this new system has been used to realize and monitor HCl uptake by a di-copper(II) bistren complex in a single run, in a completely automatic experiment. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Effective technique for numerical kinetics calculations in a system of anharmonic oscillators. Application to study of the influence of the isotopic composition of molecules on the properties of a carbon monoxide active medium

    Energy Technology Data Exchange (ETDEWEB)

    Bunkin, S.B.; Islamov, R.S.; Konev, Y.B.; Kochetov, I.V.

    1982-07-01

    A technique is described for numerical analysis of kinetic processes in a system of anharmonic oscillators, based on using implicit numerical integration and replacement of derivatives by means of backward differentiation expressions. A comparison is made with calculations by the Runge--Kutta method, and it is shown that the computer time is reduced by a factor of more than 10 when the backward differentiation method is used. The influence of the natural isotopic composition of carbon monoxide molecules on the gain and lasing properties is investigated and shown to be only slight.

  4. Effect of the specific surface area on thermodynamic and kinetic properties of nanoparticle anatase TiO2 in lithium-ion batteries

    Science.gov (United States)

    Madej, Edyta; Klink, Stefan; Schuhmann, Wolfgang; Ventosa, Edgar; La Mantia, Fabio

    2015-11-01

    Anatase TiO2 nanoparticles with a specific surface area of 100 m2 g-1 and 300 m2 g-1 have been investigated as negative insertion electrode material for lithium-ion batteries. Galvanostatic intermittent titration (GITT) and electrochemical impedance spectroscopy (EIS) were used to investigate the effect of the specific surface area on the performance of the material. GITT was performed at C/10 rate, followed by an EIS measurement after each relaxation step. Separation of kinetic and thermodynamic contributions to the overpotential of the phase transformation on Li+ (de-)insertion allowed revealing a dependency of both terms on the specific surface area. The material with higher surface area undergoes intrinsic transformation during the initial cycles affecting the thermodynamics of (de-)insertion while the sample with lower surface area shows large and asymmetric kinetic hindrances. For the material with 15 nm particles, Li+ de-insertion appears to have a higher resistance than lithium insertion.

  5. Gas-phase surface alloying under ''kinetic control'': a novel approach to improving the surface properties of titanium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Ernst, F.; Michal, G.M.; Heuer, A.H. [Dept. of Materials Science and Engineering, Case Western Reserve Univ., Cleveland, OH (United States); Oba, F. [Dept. of Materials Science and Engineering, Case Western Reserve Univ., Cleveland, OH (United States); Kyoto Univ. (Japan). Dept. of Materials Science and Engineering; Liu, L. [Dept. of Materials Science and Engineering, Case Western Reserve Univ., Cleveland, OH (United States); Nanocerox, Inc. Ann Arbor, MI (United States); Blush, J. [Dept. of Materials Science and Engineering, Case Western Reserve Univ., Cleveland, OH (United States); Johns Manville Corp. Littleton (United States)

    2006-05-15

    A novel process, ''nitridation under kinetic control of the nitrogen activity'', has been developed for diffusing substantial amounts ({approx} 10at.%) of interstitially dissolved nitrogen into the surface of Ti alloys (Ti-6Al-4V). By operating with a gas phase providing a very small, controlled nitrogen activity, this process generates a homogeneous Ti-N solid solution, free of detrimental titanium nitride precipitates, in which the nitrogen concentration smoothly decreases from the surface towards the interior. The process is conformal (applicable to workpieces of arbitrary shape) and provides a substantial (about twofold) increase in surface hardness. The hardened surface layer appears to possess adequate ductility for many structural applications. The concept of ''surface alloying under kinetic control'' is very general and may also serve to generate well-controlled surface concentration profiles of carbon or oxygen in Ti-base and other structural alloys. (orig.)

  6. Mechanical properties of self-compacting concrete state-of-the-art report of the RILEM technical committee 228-MPS on mechanical properties of self-compacting concrete

    CERN Document Server

    Schutter, Geert

    2014-01-01

    The State-of-the-Art Report of RILEM Technical Committee 228-MPS on Mechanical properties of Self-Compacting Concrete (SCC) summarizes an extensive body of information related to mechanical properties and mechanical behaviour of SCC. Due attention is given to the fact that the composition of SCC varies significantly. A wide range of  mechanical properties are considered, including compressive strength, stress-strain relationship, tensile and flexural strengths, modulus of elasticity, shear strength, effect of elevated temperature, such as fire spalling and residual properties after fire, in-situ properties, creep, shrinkage, bond properties, and structural behaviour. A chapter on fibre-reinforced SCC is included, as well as a chapter on specialty SCC, such as light-weight SCC, heavy-weight SCC, preplaced aggregate SCC, special fibre reinforced SCC, and underwater concrete.

  7. Kinetics of tetrataenite disordering

    Energy Technology Data Exchange (ETDEWEB)

    Dos Santos, E., E-mail: edisanfi@cbpf.br [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro (Brazil); Gattacceca, J.; Rochette, P. [Centre Européen de Recherche et d’Enseignement des Géosciences de l’Environnement, UM34, CNRS/Aix-Marseille University, Aix-en-Provence (France); Fillion, G. [Laboratoire National des Champs Magnétiques Intenses (LNCMI), CNRS, UJF, 38042 Grenoble (France); Scorzelli, R.B. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro (Brazil)

    2015-02-01

    Tetrataenite is a chemically ordered L1{sub 0}-type Fe{sub 50}Ni{sub 50} alloy detected for the first time in 1977 by {sup 57}Fe Mössbauer spectroscopy studies in iron meteorites. The thermal history of meteorites, in particular short thermal events like those associated to hypervelocity impacts, can be constrained by tracing the presence of tetrataenite or its disordering into taenite. The knowledge of the disordering kinetics of tetrataenite, that is associated with changes in its magnetic properties, is still very fragmentary so that the time–temperature history of these meteorites cannot be constrained in details. Furthermore, knowledge of disordering kinetics is important due to potential technological application of tetrataenite as a rare-earth free strong magnet. Thus, this work provides the first time–temperature data for disordering reaction of tetrataenite. We have shown that disordering is not an instantaneous process but is a kinetic limited reaction. It was shown that disordering may take place at any temperature above the order–disorder transition for L{sub 10} superstructure phase (∼320 °C) when the appropriate time-scale is considered. This result means that the apparent Curie point for tetrataenite is not an absolute property in the sense that any estimate of this parameter should be referred to a given time-scale. - Highlights: • The first time–temperature data for tetrataenite disordering reaction is provided. • Previous works does not give a complete picture of tetrataenite disordering. • Apparent Curie temperature of tetrataenite should be referred to a time-scale. • Tetrataenite can be used as a probe to detect thermal/shock events recorded in meteorites.

  8. Psychometric properties of carer-reported outcome measures in palliative care: A systematic review.

    Science.gov (United States)

    Michels, Charlotte T J; Boulton, Mary; Adams, Astrid; Wee, Bee; Peters, Michele

    2016-01-01

    Informal carers face many challenges in caring for patients with palliative care needs. Selecting suitable valid and reliable outcome measures to determine the impact of caring and carers' outcomes is a common problem. To identify outcome measures used for informal carers looking after patients with palliative care needs, and to evaluate the measures' psychometric properties. A systematic review was conducted. The studies identified were evaluated by independent reviewers (C.T.J.M., M.B., M.P.). Data regarding study characteristics and psychometric properties of the measures were extracted and evaluated. Good psychometric properties indicate a high-quality measure. The search was conducted, unrestricted to publication year, in the following electronic databases: Applied Social Sciences Index and Abstracts, Cumulative Index to Nursing and Allied Health Literature, The Cochrane Library, EMBASE, PubMed, PsycINFO, Social Sciences Citation Index and Sociological Abstracts. Our systematic search revealed 4505 potential relevant studies, of which 112 studies met the inclusion criteria using 38 carer measures for informal carers of patients with palliative care needs. Psychometric properties were reported in only 46% (n = 52) of the studies, in relation to 24 measures. Where psychometric data were reported, the focus was mainly on internal consistency (n = 45, 87%), construct validity (n = 27, 52%) and/or reliability (n = 14, 27%). Of these, 24 measures, only four (17%) had been formally validated in informal carers in palliative care. A broad range of outcome measures have been used for informal carers of patients with palliative care needs. Little formal psychometric testing has been undertaken. Furthermore, development and refinement of measures in this field is required. © The Author(s) 2015.

  9. 78 FR 20644 - Information Collection; Tangible Personal Property Report (SF-428A, 428B, and 428C)

    Science.gov (United States)

    2013-04-05

    ... requirement concerning reporting tangible personal property. In support of OMB's continuing effort to reduce... collection techniques or other forms of information technology. DATES: Comment Due Date: June 4, 2013. FOR... create any new reporting requirements. It does establish a standard annual reporting date of September...

  10. Pelvic-Floor Properties in Women Reporting Urinary Incontinence After Surgery and Radiotherapy for Endometrial Cancer.

    Science.gov (United States)

    Bernard, Stéphanie; Moffet, Hélène; Plante, Marie; Ouellet, Marie-Pier; Leblond, Jean; Dumoulin, Chantale

    2017-04-01

    Endometrial cancer is the fourth most prevalent cancer in Canadian women. Radiotherapy (RT) is frequently recommended as an adjuvant treatment. There is a high prevalence (>80%) of urinary incontinence (UI) after RT. It is plausible that UI is associated, at least in part, with alterations of the pelvic-floor muscles (PFM). The aim of this exploratory study was to compare the PFM functional properties of women reporting UI after hysterectomy and RT for endometrial cancer with those of women with a history of hysterectomy but without UI. A descriptive cross-sectional study was conducted. Eleven women were recruited for the affected group, and 18 were recruited for the comparison group. Urogenital and bowel functions were assessed using International Consultation on Incontinence Questionnaires, and PFM properties were evaluated using a Montreal dynamometer. Nonparametric tests were used for comparison of personal characteristics, functional status, and muscle properties. A correspondence analysis detailed the association between UI severity and PFM properties. Maximal opening of dynamometer branches, maximal vaginal length, PFM maximum force and rate of force development in a strength test, and number of rapid contractions during a speed test were reduced in the affected group. No significant difference was found for the endurance test. The severity of UI was found to correspond to the rate of force development and the number of rapid contractions in a speed test, endurance, age, and vaginal length. The results are limited to the population studied. The small sample size limited the strength of the conclusions. Some evidence of alterations in PFM properties were found in women with UI after hysterectomy and RT for endometrial cancer. These alterations appeared to be associated with UI, suggesting a possible role for rehabilitation.

  11. Studies on Commercially Available Sustained- or Controlled-Release Theophylline Products Commonly Used: Characterization of In-vitro Dissolution Properties and Kinetics

    Directory of Open Access Journals (Sweden)

    Omar H. El-Garhy

    2014-12-01

    Full Text Available Purpose: Theophylline (TP, is an one of the most popular drugs used in the therapy of the respiratory diseases such as chronic obstructive pulmonary disease (COPD and asthma under a variety of commercially brand names of oral sustained- or controlled-release products in the local market. The objective of this work is to endow an overview of type and dissolution characteristics of various sustained- or controlled-release products presently available. Method: The dissolution characteristics of TP from its commercially available sustained- or controlled-release products were studied in simulated gastric fluid for 2 hr and in simulated intestinal fluid for 8 hr using the USP dissolution apparatus with the paddle assembly. The kinetics of the dissolution profiles were determined by analyzing the dissolution data according to 4 kinetic equation models, namely; zero-order equation, first-order equation, Higuchi square root equation and Hixson-Crowell cube root law. Results: All the investigated commercially available TP products displayed good sustained-release patterns. The dissolution rate of TP from its commercially available capsule products was higher than that of TP commercially available tablet products. Further, the progress increase in the dissolution rate of TP from its commercially available capsule products along the dissolution period was more regular than that of TP commercially available tablet products. The kinetics study demonstrated that Zero-order and Hixon-Crowell’s models displayed sufficiently linearity with minimal differences between them suggesting that the release mechanism of TP from most of the investigated commercially available TP products may be a coupled release pattern between diffusion and dissolution mechanisms. Conclusion: The study demonstrated that most of the investigated commercial available TP products satisfied the requirements of good sustained-release products.

  12. Study on Modification of NaX Zeolites: The Cobalt (II)-Exchange Kinetics and Surface Property Changes under Thermal Treatment

    OpenAIRE

    Hoai-Lam Tran; Maw-Suey Kuo; Wein-Duo Yang; Yu-Chang Huang

    2016-01-01

    The cobalt (II) ion-exchange process followed the Freundlich and Langmuir adsorption models as well as the pseudo-second-order kinetic model. The cobalt-exchanged contents increased when the initial Co(NO3)2 solution concentration increased up to 0.14 mol L−1 at the optimal pH of 6.05. The N2 adsorption isotherms are mixed types I/II isotherms and H3 type hysteresis. Both the micropore and mesopore adsorptions occurred during the adsorption process. The modification, which is both the cobalt ...

  13. Kinetics of coal pyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Seery, D.J.; Freihaut, J.D.; Proscia, W.M. (United Technologies Research Center, East Hartford, CT (USA)); Howard, J.B.; Peters, W.; Hsu, J.; Hajaligol, M.; Sarofim, A. (Massachusetts Inst. of Tech., Cambridge, MA (USA)); Jenkins, R.; Mallin, J.; Espindola-Merin, B. (Pennsylvania State Univ., University Park, PA (USA)); Essenhigh, R.; Misra, M.K. (Ohio State Univ., Columbus, OH (USA))

    1989-07-01

    This report contains results of a coordinated, multi-laboratory investigation of coal devolatilization. Data is reported pertaining to the devolatilization for bituminous coals over three orders of magnitude in apparent heating rate (100 to 100,000 + {degree}C/sec), over two orders of magnitude in particle size (20 to 700 microns), final particle temperatures from 400 to 1600{degree}C, heat transfer modes ranging from convection to radiative, ambient pressure ranging from near vacuum to one atmosphere pressure. The heat transfer characteristics of the reactors are reported in detail. It is assumed the experimental results are to form the basis of a devolatilization data base. Empirical rate expressions are developed for each phase of devolatilization which, when coupled to an awareness of the heat transfer rate potential of a particular devolatilization reactor, indicate the kinetics emphasized by a particular system reactor plus coal sample. The analysis indicates the particular phase of devolatilization that will be emphasized by a particular reactor type and, thereby, the kinetic expressions appropriate to that devolatilization system. Engineering rate expressions are developed from the empirical rate expressions in the context of a fundamental understanding of coal devolatilization developed in the course of the investigation. 164 refs., 223 figs., 44 tabs.

  14. Studies on yeast nucleoside triphosphate-nucleoside diphosphate transphosphorylase (nucleoside diphosphokinase). IV. Steady-state kinetic properties with thymidine nucleotides (including 3'-azido-3'-deoxythymidine analogues).

    Science.gov (United States)

    Kuby, S A; Fleming, G; Alber, T; Richardson, D; Takenaka, H; Hamada, M

    1991-01-01

    A study of the steady-state kinetics of the crystalline brewer's yeast (Saccharomyces carlsbergensis) nucleoside diphosphokinase, with the magnesium complexes of the adenine and thymidine nucleotides as reactants, has led to a postulated kinetic mechanism which proceeds through a substituted enzyme. This agrees with the earlier conclusions of Garces and Cleland [Biochemistry 1969; 8:633-640] who characterized a reaction between the magnesium complexes of the adenine and uridine nucleotides. An advantage of using thymidine nucleotides as reactants is that they permit accurate, rapid and continuous assays of the enzymatic activity in coupled-enzymatic tests. Through measurements of the initial velocities and product inhibition studies, the Michaelis constants, maximum velocities, and inhibition constants could be evaluated for the individual substrates. Competitive substrate inhibition was encountered at relatively high substrate concentrations, which also permitted an evaluation of their ability to act as 'dead-end' inhibitors. The Michaelis constants for the 3'-azido-3'-deoxythymidine (AzT) analogues were also evaluated and, although these values were only somewhat higher than those of their natural substrates, the Km's for the adenine nucleotides as paired substrates were lower and the Vmax's were drastically reduced. The pharmacological implications of these observations are touched upon and extrapolated to the cases where therapeutic doses of AzT may be employed.

  15. Study of the properties of mine waste in the midwestern coal fields. Phase I report

    Energy Technology Data Exchange (ETDEWEB)

    None

    1980-07-04

    In an effort to assist the coal industry in complying with the applicable regulations, to design safe and environmentally acceptable disposal systems, and to encourage secondary use of coal mine waste, the US Department of Energy has initiated research programs to develop coal mine waste disposal and use technology. This study of the properties of mine wastes in the Midwestern coal fields has been limited to the waste materials obtained from underground coal mines and preparation plants attached to both underground and surface mines. The program has been divided into two phases. In Phase I, the 20 most important properties relevant to safe disposal, reclamation, underground disposal, and secondary uses have been identified. An inventory of the significant waste disposal sites in the Midwestern coal fields has been prepared. The site locations have been plotted on USGS maps. Estimates of coal production and coal mine waste production during the next 2 decades have been prepared and are presented in this report. Also, all available information obtained from a search of existing literature on physical and chemical properties, including analysis results of the general runoff from the refuse disposal areas, has been collected and is presented. In order to fill the gaps in information, 20 sites have been identified for drilling and sampling to determine the various physical and chemical properties. They have been selected on the basis of the distribution and quantity of waste at the existing locations (both abandoned and active), the future trends in production and likely locations of waste disposal areas, their geographical and geological distribution, and ease of accessibility for drilling and sampling.

  16. Kinetic theory and transport phenomena

    CERN Document Server

    Soto, Rodrigo

    2016-01-01

    This textbook presents kinetic theory, which is a systematic approach to describing nonequilibrium systems. The text is balanced between the fundamental concepts of kinetic theory (irreversibility, transport processes, separation of time scales, conservations, coarse graining, distribution functions, etc.) and the results and predictions of the theory, where the relevant properties of different systems are computed. The book is organised in thematic chapters where different paradigmatic systems are studied. The specific features of these systems are described, building and analysing the appropriate kinetic equations. Specifically, the book considers the classical transport of charges, the dynamics of classical gases, Brownian motion, plasmas, and self-gravitating systems, quantum gases, the electronic transport in solids and, finally, semiconductors. Besides these systems that are studied in detail, concepts are applied to some modern examples including the quark–gluon plasma, the motion of bacterial suspen...

  17. Thermodynamic and rheological properties of solid-liquid systems in coal processing. Final technical report

    Energy Technology Data Exchange (ETDEWEB)

    Kabadi, V.N.

    1995-06-30

    The work on this project was initiated on September 1, 1991. The project consisted of two different tasks: (1) Development of a model to compute viscosities of coal derived liquids, and (2) Investigate new models for estimation of thermodynamic properties of solid and liquid compounds of the type that exist in coal, or are encountered during coal processing. As for task 1, a model for viscosity computation of coal model compound liquids and coal derived liquids has been developed. The detailed model is presented in this report. Two papers, the first describing the pure liquid model and the second one discussing the application to coal derived liquids, are expected to be published in Energy & Fuels shortly. Marginal progress is reported on task 2. Literature review for this work included compilation of a number of data sets, critical investigation of data measurement techniques available in the literature, investigation of models for liquid and solid phase thermodynamic computations. During the preliminary stages it was discovered that for development of a liquid or solid state equation of state, accurate predictive models for a number of saturation properties, such as, liquid and solid vapor pressures, saturated liquid and solid volumes, heat capacities of liquids and solids at saturation, etc. Most the remaining time on this task was spent in developing predictive correlations for vapor pressures and saturated liquid volumes of organic liquids in general and coal model liquids in particular. All these developments are discussed in this report. Some recommendations for future direction of research in this area are also listed.

  18. Property.

    Science.gov (United States)

    Piele, Philip K.

    Chapter 7 of a book on school law, this chapter deals with 1979 cases involving disputes over property. Cases involving taxpayer attempts to prevent the construction of school buildings dominate this year's property chapter, as they did last year's. Yet, paradoxically, there is also a significant increase in cases in which taxpayers tried to…

  19. Zeolite thermodynamics and kinetics. Final report for June 15, 1996 to June 15, 2000 to the U.S. Department of Energy, Geosciences Research Program, Office of Basic Energy Sciences on Grant No. DE-FG02-96ER14634

    Energy Technology Data Exchange (ETDEWEB)

    Barnes, H.L.; Wilkin, R.T.; Benning, L.G.

    2000-06-15

    This report summarizes results obtained on the thermodynamic and kinetic properties of zeolites. DOE funding supported the development of techniques of material preparation as well as experimental strategies and methods for measuring solubilities, hydration states, and rates of zeolite dissolution, precipitation, and nucleation. The hydrothermal experiments provided temperature-dependent solubility products, hydration states, and a set of standard free energies of formation for end-member Na-, K-, and Ca-clinoptilolite, mordenite, and analcime. Flow-through experimental methods were used to measure the rates of Na-clinoptilolite and analcime dissolution and precipitation as a function of reaction affinity to 250C. Finally, the experimental system was modified so that the clinoptilolite-to-analcime transformation was monitored, and its rates and mechanisms were evaluated.

  20. Studies on NADH(NADPH)-cytochrome c reductase (FMN-containing) from yeast: steady-state kinetic properties of the flavoenzyme from top-fermenting ale yeast.

    Science.gov (United States)

    Johnson, M S; Kuby, S A

    1986-02-15

    A study of the steady-state kinetics of NADH(NADPH)-cytochrome c reductase (FMN-containing) from ale yeast (M. S. Johnson and S. A. Kuby (1985) J. Biol. Chem. 260, 12341-12350) has led to a postulated three-substrate random-ordered hybrid mechanism, where NAD(P)H and FMN add randomly and very likely in a steady-state fashion, followed by an ordered addition of cytochrome c. Kinetic parameters have been derived from this mechanism. Arrhenius plots showed large differences between NADH and NADPH, as the substrate-reductant. Menadione accelerated cytochrome c reduction and also O2 uptake, but vitamin K1 and coenzyme Q10 were ineffective as electron mediators, possibly as a result of their insolubility. With NADPH as the substrate-reductant, the order of the rate of reduction of electron acceptors was ferricyanide greater than DCIP greater than cytochrome c greater than oxygen; with menadione, the specificity sequence was cytochrome c greater than ferricyanide greater than DCIP greater than oxygen. With NADH, the order was ferricyanide greater than cytochrome c greater than oxygen greater than DCIP, which changed to cytochrome c greater than ferricyanide greater than oxygen greater than DCIP on addition of menadione. Cytochrome b5 was also reduced in the absence of oxygen. No transhydrogenase activity was observed, but the reduced thionicotinamide analogs of NADH and NADPH acted as substrates. Superoxide dismutase inhibited cytochrome c reduction in air by 50%, but O2-. was not necessary for cytochrome c reduction, as evidenced by the increase in rate in the absence of O2. The product of the reaction with oxygen appeared to be H2O2.

  1. Facile synthesis of Mo–Ni particles and their effect on the electrochemical kinetic properties of La–Mg–Ni-based alloy electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yuan; Tao, Yang; Ke, Dandan; Yang, Shuqin [College of Environmental and Chemical Engineering, Yanshan University, Qinhuangdao 066004 (China); Han, Shumin, E-mail: hanshm@ysu.edu.cn [College of Environmental and Chemical Engineering, Yanshan University, Qinhuangdao 066004 (China); State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

    2014-12-05

    Highlights: • We synthesized nano-Mo–Ni particles by a facile method. • The particles improve charge transfer rate at surface of metal hydride electrode. • HRD of electrodes with Mo–Ni particles increases remarkably. - Abstract: A simple method was developed to synthesize Mo–Ni compounds using a chemical reduction method. The compound was then added to La–Mg–Ni-based alloy electrodes in order to improve the electrochemical kinetics of the electrodes. Scanning electron microscopy and transmission electron microscopy coupled with energy-dispersive X-ray spectroscopy showed that the as-synthesized compound consisted of nanoparticles with a chemical composition of MoNi{sub 2.5}. X-ray diffraction analysis revealed that the compound mainly consisted of a MoNi{sub 3} and a Ni phase. The Mo–Ni particles were added to the La–Mg–Ni-based alloy electrode material and uniformly distributed on the alloy surface. An improvement in initial discharge capacity and high rate dischargeability (HRD) could be observed, as well as an enhancement of cycle stability. At 1500 mA/g the HRD increased by 10.2%, and the initial discharge capacity increased from 286 mA h/g to 307 mA h/g. After adding the particles to the alloy, the Mo–Ni particles showed a high electro-catalytic activity due to a charge transfer reaction on the alloy surface, thereby decreasing the charge transfer resistance and increasing the exchange current density. Consequently, the kinetics of the electrode reaction was significantly improved due to an enhancement of the electro-catalytic activity.

  2. Brain acetylcholinesterase of jaguar cichlid (Parachromis managuensis): From physicochemical and kinetic properties to its potential as biomarker of pesticides and metal ions.

    Science.gov (United States)

    Araújo, Marlyete Chagas de; Assis, Caio Rodrigo Dias; Silva, Luciano Clemente; Machado, Dijanah Cota; Silva, Kaline Catiely Campos; Lima, Ana Vitória Araújo; Carvalho, Luiz Bezerra; Bezerra, Ranilson de Souza; Oliveira, Maria Betânia Melo de

    2016-08-01

    This contribution aimed to characterize physicochemical and kinetic parameters of the brain cholinesterases (ChEs) from Parachromis managuensis and investigate the in vitro effects of pesticides and metal ions on its activity intending to propose as biomarker. This species is suitable for this investigation because (1) it was recently introduced in Brazil becoming invasive (no restrictions on capture) and (2) occupies the top of the food chain (being subject to bioaccumulation). The enzyme extract was exposed to 10 metal ions (Al(3+), Ba(2+), Cd(2+), Cu(2+), Hg(2+), Mg(2+), Mn(2+), Pb(2+), Fe(2+) and Zn(2+)) and ChEs selective inhibitors (BW284c51, Iso-OMPA, neostigmine and serine). The extract was also incubated with organophosphate (dichlorvos) and carbamate pesticides (carbaryl and carbofuran). Inhibition parameters (IC20, IC50 and ki) were determined. Selective inhibitors and kinetic parameters confirmed acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) -like as responsible for the ChE activities, most AChE. The IC50 values for pesticides were: 1.68μM (dichlorvos); 4.35μM (carbaryl) and 0.28μM (carbofuran). Most of the analyzed ions did not show significant effect at 1mM (p=0.05), whereas the following ions inhibited the enzyme activity in the order: Hg(2+)>Cu(2+)>Cd(2+)>Zn(2+). Mercury ion strongly inhibited the enzyme activity (IC20=0.7μM). The results about allow to conclude that P. managuensis brain AChE is a potential biomarker for heavy metals and pesticides under study, mainly for the carbamate carbofuran once it was capable to detect 6-fold lower levels than the limit concentration internationally recommended. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Coarsening kinetics, thermodynamic properties, and interfacial characteristics of δ' precipitates in Al-Li alloys taking into account the Gibbs-Thomson effect

    Science.gov (United States)

    Tsao, C.-S.; Chen, C.-Y.; Huang, J.-Y.

    2004-11-01

    The structure factor model of small-angle x-ray scattering (SAXS) analysis is validated herein by transmission electron microscopy (TEM) result regarding the volume fraction and size of δ' precipitates. The kinetic behaviors of the number density and volume fraction of δ' precipitates in Al-Li alloys during the coarsening stage are quantitatively investigated by SAXS. The results indicate that the conventional kinetic law must be replaced by a more general equation that incorporates the Gibbs-Thomson effect and the time-dependence of the volume fraction during Ostwald ripening. This work also proposes new methods that combine the Gibbs-Thomson effect and the traditional SAXS equation to resolve more reliably and model independently the interfacial energy, the concentration of solute Li in the α matrix in equilibrium with δ' particles of a nanoscale radius Cαr , the equilibrium solubility of the α phase Ceα and the equilibrium concentration of δ' particles. The Gibbs-Thomson effect considers the effects of the interfacial energy and particle size on the equilibrium concentration. This effect quantitatively clarifies that the Cαr value is size-dependent and is related to the Ceα value and the interfacial energy. The traditional SAXS equation determines the Li concentrations in the δ' particles and the matrix from the measured scattering contrast. The traditionally determined solubility is in fact the Cαr value and is mistakenly regarded as the equilibrium concentration Ceα (corresponding to the radius is infinite). These results are compared to other results obtained by SAXS, TEM, and calculation. The time evolution of the transition interfacial layers between δ' particles and the matrix is extensively investigated using SAXS.

  4. COMPARISON OF CBS-Q AND G2 CALCULATIONS ON THERMODYNAMIC PROPERTIES, TRANSITION STATES AND KINETICS OF DIMETHYL-ETHER + O2 REACTION SYSTEM. (R824970)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  5. Enhancing Thai Students' Learning of Chemical Kinetics

    Science.gov (United States)

    Chairam, Sanoe; Somsook, Ekasith; Coll, Richard K.

    2009-01-01

    Chemical kinetics is an extremely important concept for introductory chemistry courses. The literature suggests that instruction in chemical kinetics is often teacher-dominated at both the secondary school and tertiary levels, and this is the case in Thailand--the educational context for this inquiry. The work reported here seeks to shift students…

  6. Biomimetic coating of organic polymers with a protein-functionalized layer of calcium phosphate: the surface properties of the carrier influence neither the coating characteristics nor the incorporation mechanism or release kinetics of the protein.

    Science.gov (United States)

    Wu, Gang; Liu, Yuelian; Iizuka, Tateyuki; Hunziker, Ernst B

    2010-12-01

    Polymers that are used in clinical practice as bone-defect-filling materials possess many essential qualities, such as moldability, mechanical strength and biodegradability, but they are neither osteoconductive nor osteoinductive. Osteoconductivity can be conferred by coating the material with a layer of calcium phosphate, which can be rendered osteoinductive by functionalizing it with an osteogenic agent. We wished to ascertain whether the morphological and physicochemical characteristics of unfunctionalized and bovine-serum-albumin (BSA)-functionalized calcium-phosphate coatings were influenced by the surface properties of polymeric carriers. The release kinetics of the protein were also investigated. Two sponge-like materials (Helistat® and Polyactive®) and two fibrous ones (Ethisorb™ and poly[lactic-co-glycolic acid]) were tested. The coating characteristics were evaluated using state-of-the-art methodologies. The release kinetics of BSA were monitored spectrophotometrically. The characteristics of the amorphous and the crystalline phases of the coatings were not influenced by either the surface chemistry or the surface geometry of the underlying polymer. The mechanism whereby BSA was incorporated into the crystalline layer and the rate of release of the truly incorporated depot were likewise unaffected by the nature of the polymeric carrier. Our biomimetic coating technique could be applied to either spongy or fibrous bone-defect-filling organic polymers, with a view to rendering them osteoconductive and osteoinductive.

  7. Final Report: Stability and Novel Properties of Magnetic Materials and Ferromagnet / Insulator Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Voyles, Paul [University of Wisconsin, Madison

    2013-07-24

    We report investigations of the synthesis, structure, and properties of new materials for spintronic applications integrated onto silicon substrates. Our primary focus is materials with very high, negative, intrinsic spin polarization of the density of states at the Fermi level. We have developed a new synthesis method for Fe3O4 thin films through selective oxidation of Fe, resulting in smooth, low-defect density films. We have synthesized Fe4N films and shown that they preferentially oxidize to Fe3O4. When integrated into magnetic tunnel junctions consisting of Fe4N / AlOx / Fe, oxidation at the Fe4N / AlOx interface creates Fe3O4, leading to negative tunneling magnetoresistance (TMR). Oxidation of Fe in nominally symmetric CoFe / AlOx / CoFe also produces Fe3O4 and negative TMR under selected oxidation conditions.

  8. Anionic conducting oxide ceramics: Microstructure - property relations of BiCuVOx ceramics. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Berrera, T.P.; Dunn, B.; Fuqua, P.D.; Leininger, J.; Mackenzie, J.D.

    1996-06-14

    The bismuth vanadate composition, Bi4V2O11, is the parent compound for a new family of oxygen ion conductors. The substitution of various metallic ions for vanadium stabilizes the high temperature gamma-phase and leads to a series of compounds which possess the highest oxygen ion conductivities observed for temperatures below 400 deg C. This paper reports the first studies on the processing, densification and transport properties of copper-doped bismuth vanadate ceramics. Phase-pure materials with densities above 95% of theoretical were obtained using standard ceramic processing approaches. Ionic conductivities in the range of 1 x 10(exp {minus}2) S/cm at 400 deg C were observed for a variety of sintered samples.

  9. Sonic and electrical properties of partially saturated tight-gas sands. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Nur, A.

    1983-03-01

    This study was aimed at relating the seismic and the electrical properties of tight-gas rocks to their pore-space geometry, permeability, and level of water saturation. Here we report results of a laboratory experimental study of wave propagation in Cotton Valley and Spirit River Sandstones as a function of partial water saturation (SW) and wave frequency. We find that wave velocities and the velocity ratio are sensitive to the presence of gas. Furthermore, wave attenuation is sensitive to the amount of gas in the pore space. Ultrasonic measurements in tight-gas sands tend to yield higher velocity values, due to the inability of the pore fluid pressure to homogenize during the passage of waves. Laboratory measurements were made also of the complex electrical response of selected tight rocks, and compared with normal permeability Berea Sandstone. The results show that the dielectric property of tight-gas sands is very sensitive to partial water saturation, and may give not only insight into the nature of the pore space, but also provide a practical measure of S/sub w/ in situ. 35 figures, 2 tables.

  10. CP: AN INVESTIGATION OF COEFFICIENT OF THERMAL EXPANSION, DECOMPOSITION KINETICS, AND REACTION TO VARIOUS STIMULI

    Energy Technology Data Exchange (ETDEWEB)

    Weese, R K; Burnham, A K; Fontes, A T

    2005-03-23

    The properties of pentaamine (5-cyano-2H-tetrazolato-N2) cobalt (III) perchlorate (CP), which was first synthesized in 1968, continues to be of interest for predicting behavior in handling, shipping, aging, and thermal cook-off situations. We report coefficient of thermal expansion (CTE) values over four specific temperature ranges, decomposition kinetics using linear heating rates, and the reaction to three different types of stimuli: impact, spark, and friction. The CTE was measured using a Thermal Mechanical Analyzer (TMA) for samples that were uniaxially compressed at 10,000 psi and analyzed over a dynamic temperature range of -20 C to 70 C. Using differential scanning calorimetry, DSC, CP was decomposed at linear heating rates of 1, 3, and 7 C/min and the kinetic triplet calculated using the LLNL code Kinetics05. Values are also reported for spark, friction, and impact sensitivity.

  11. Fundamental study of the mechanism and kinetics of cellulose hydrolysis by acids and enzymes. Progress report, June 1, 1975--December 31, 1975

    Energy Technology Data Exchange (ETDEWEB)

    Tsao, G T

    1976-02-01

    This project deals with acidic and enzymatic hydrolysis of cellulosic materials. Highlights of the first eight months of out project are as follows. (1) Essentially homogeneous C/sub 1/, C/sub x/, and Cellobiase enzyme have been isolated from Cellulase-Onozuka of Trichodeima viride origin. Besides the 3 major components, one protein of a molecular weight of 10,000 was purified, which has strong C/sub x/ activity and also another (M.W. 23,000) with strong C/sub 1/ activity. (2) Kinetics of Cellobiase has been investigated and its kinetics constant accurately determined. Immobilization of this enzyme on porous glass was successful. (3) Absorption of SO/sub 2/ at atmospheric pressure increased digestibility of delignated cellulose but not the natural materials such as corn stalk. A pressurizable absorption unit is being built. (4) Kinetics models for purified C/sub 1/ and C/sub x/ are postulated and equations derived. Experimental tests will be made when sufficient quantities of purified C/sub 1/ and C/sub x/ enzyme are prepared. (5) A lignin digesting, white-rot fungus, Pleurotus ostreatus, has cultivated in our laboratory. It has grown well and heavy. (6) A number of electron micrographs were made with untreated cellulosic materials, which showed that the method of drying the specimens for electromicroscopy is important. Ordinary drying procedures will alter their physical structures. A technique, critical point drying, is being practiced, which will not change the structure. (auth)

  12. INVESTIGATION OF THE INFLUENCE OF PROCESS CONDITIONS AND PROPERTIES OF THE MEDIUM ON THE KINETICS OF THE SWELLING OF GREEN BUCKWHEAT FLAKES

    Directory of Open Access Journals (Sweden)

    L. E. Glagoleva

    2015-01-01

    Full Text Available The chemical composition of green buckwheat flakes, especially swelling of the flakes at different process conditions. The process of swelling depends on the nature of the high molecular compound, temperature, composition and pH of the absorbing liquid and can flow unrestricted and restricted. With a limited degree of swelling of the swelling reaches the limit and is no longer changing. As a result of limited swelling formed jelly. If the limit value of the degree of swelling in contact with a further high-molecular compound and a solvent is reduced, there is an unlimited swelling. In this case, the swelling of the first stage of dissolution. Unlimited swell polymers with weak intermolecular bonds. Character of the process has an impact on quality indicators and semi-finished products. The resulting kinetic curves indicate limited swelling main components of green buckwheat flakes in all test solutions. In the alkaline pH range, partial dissolution occurred certain components, but the general nature of the process is not appreciably affected. The paper identified the maximum degree and the rate constant swelling green buckwheat flakes in solutions with different pH. To quantify the extent and limit of the rate constant swelling high-molecular compound at different process conditions (type of solvent, temperature, pH determine the degree of swelling at specified intervals and construct the kinetic curve swelling. The acidity of the medium affects mainly on swelling polyampholytes, which are the proteins that make up most of the swell components flakes green buckwheat. Depending on the pH of the protein macromolecule adopt different conformations. The minimum degree of swelling of the protein corresponds to its isoelectric point at which stipulates equality of positive and negative charges in the macromolecule and it rolled into a ball or globule, which hinders the penetration of solvent molecules into the matrix of high-molecular compound

  13. Synthesis and Properties of Fe3O4-Activated Carbon Magnetic Nanoparticles for Removal of Aniline from Aqueous Solution: Equilibrium, Kinetic and Thermodynamic Studies

    Directory of Open Access Journals (Sweden)

    Babak Kakavandi

    2013-02-01

    Full Text Available In this study, powder activated carbon (PAC and magnetic nanoparticles of iron (III oxide were used for synthesis of Fe3O4-activated carbon magnetic nanoparticles (AC-Fe3O4 MNPs as an adsorbent for the removal of aniline. The characteristics of adsorbent were evaluated by SEM, TEM, XRD and BET. Also, the impact of different parameters such as pH, contact time, adsorbent dosage, aniline initials concentration and solution temperature were studied. The experimental data investigated by Langmuir and Freundlich adsorption isotherms and two models kinetically of pseudo first-order and pseudo second-order. The results indicated that the adsorption followed Langmuir and pseudo second-order models with correlation r2 > 0.98 and r2 > 0.99, respectively. The equilibrium time was obtained after 5 h. According to Langmuir model, the maximum adsorption capacity was 90.91 mg/g at pH = 6, and 20°C. The thermodynamic parameters indicated that adsorption of aniline on magnetic activated carbon was exothermic and spontaneous. This synthesized AC-Fe3O4 MNPs due to have advantages such as easy and rapid separation from solution could be applied as an adsorbent effective for removal of pollutants such as aniline from water and wastewater

  14. Synthesis and properties of Fe3O4-activated carbon magnetic nanoparticles for removal of aniline from aqueous solution: equilibrium, kinetic and thermodynamic studies.

    Science.gov (United States)

    Kakavandi, Babak; Jonidi, Ahmad; Rezaei, Roshanak; Nasseri, Simin; Ameri, Ahmad; Esrafily, Ali

    2013-01-01

    In this study, powder activated carbon (PAC) and magnetic nanoparticles of iron (III) oxide were used for synthesis of Fe3O4-activated carbon magnetic nanoparticles (AC-Fe3O4 MNPs) as an adsorbent for the removal of aniline. The characteristics of adsorbent were evaluated by SEM, TEM, XRD and BET. Also, the impact of different parameters such as pH, contact time, adsorbent dosage, aniline initials concentration and solution temperature were studied. The experimental data investigated by Langmuir and Freundlich adsorption isotherms and two models kinetically of pseudo first-order and pseudo second-order. The results indicated that the adsorption followed Langmuir and pseudo second-order models with correlation r(2) > 0.98 and r(2) > 0.99, respectively. The equilibrium time was obtained after 5 h. According to Langmuir model, the maximum adsorption capacity was 90.91 mg/g at pH = 6, and 20°C. The thermodynamic parameters indicated that adsorption of aniline on magnetic activated carbon was exothermic and spontaneous. This synthesized AC-Fe3O4 MNPs due to have advantages such as easy and rapid separation from solution could be applied as an adsorbent effective for removal of pollutants such as aniline from water and wastewater.

  15. Parallelization of Kinetic Theory Simulations

    CERN Document Server

    Howell, Jim; Colbry, Dirk; Pickett, Rodney; Staber, Alec; Sagert, Irina; Strother, Terrance

    2013-01-01

    Numerical studies of shock waves in large scale systems via kinetic simulations with millions of particles are too computationally demanding to be processed in serial. In this work we focus on optimizing the parallel performance of a kinetic Monte Carlo code for astrophysical simulations such as core-collapse supernovae. Our goal is to attain a flexible program that scales well with the architecture of modern supercomputers. This approach requires a hybrid model of programming that combines a message passing interface (MPI) with a multithreading model (OpenMP) in C++. We report on our approach to implement the hybrid design into the kinetic code and show first results which demonstrate a significant gain in performance when many processors are applied.

  16. Section i: Thermodynamic Properties of Hydrocarbon Radicals, Peroxy Hydrocarbon and Peroxy Chlorohydrocarbon Molecules and Radicals. Section II. Kinetics and Reaction Mechanisms For: (1) Chloroform Pyrolysis and Oxidation; (2) Benzene and Toluene Oxidation Under Atmospheric Conditions.

    Science.gov (United States)

    Lay, Tsan-Horng

    1995-01-01

    Alkyl radicals are important active intermediates in gas phase photochemistry and combustion reaction systems. With the exception of a limited number of the most elementary radicals, accurate thermodynamic properties of alkyl radicals are either not available or only rough estimations exist. An H atom Bond Increment approach is developed and a data base is derived, for accurately estimating thermodynamic properties (Delta H_{f }^circ298, S ^circ298 and Cp(T)) for generic classes of hydrocarbon radical species. Reactions of alkyl radicals with molecular oxygen are one of the major reaction paths for these radicals in atmospheric photochemistry, oxidation of hydrocarbon liquids and combustion process. Alkyl hydroperoxides are subsequently formed through the alkyl peroxy radicals reactions with varied chemical species present in the reaction system. Thermodynamic properties of the alkyl hydroperoxides and related radicals are therefore frequently required in gas phase modeling and kinetic studies on these systems. The thermodynamic properties of alkyl hydroperoxides, alkyl peroxy radicals and hydroperoxyl-1-ethyl radicals including the species with fluorine and chlorine substituents on the alpha-carbon are evaluated using molecular orbital calculations. Chloroform is used as a model chlorocarbon system with high Cl/H ratio to investigate thermal decomposition processes of chlorocarbons in oxidative and pyrolytic reaction environments. A detailed reaction mechanism is developed to describe the important features of products and reagent loss and is shown to predict the experimental data well. Reaction pathways and rate constants are developed for CCl _3, CCl_2 and rm C_2Cl_3 radical addition to O_2 and combination with O, OH HO_2 and ClO. The reversible addition reaction of OH radical with benzene to form the hydroxyl-2,4-cyclohexadienyl (benzene -OH) adduct and the subsequent reactions of this benzene -OH adduct with O_2 are important initial steps for the

  17. Non-Isothermal Kinetics.

    Science.gov (United States)

    Brown, M. E.; Phillpotts, C. A. R.

    1978-01-01

    Discusses the principle of nonisothermal kinetics and some of the factors involved in such reactions, especially when considering the reliability of the kinetic parameters, compared to those of isothermal conditions. (GA)

  18. Determination of basalt physical and thermal properties at varying temperatures, pressures, and moisture contents. First progress report, fiscal year 1979

    Energy Technology Data Exchange (ETDEWEB)

    Miller, R.J.; Bishop, R.C.

    1979-03-26

    This report is a summary of the rock mechanics testing done at the Earth Mechanics Institute of the Colorado School of Mines for Rockwell Hanford Operations under Subcontract SA-917. Cores were supplied from drill hole DC-6 on the Hanford Site, characterized geologically, and tested for thermal and physical properties for designing long-term underground storage of radioactive waste materials. This report presents the approved test procedures, results, and data analysis for this test series. Results indicated thermophysical properties similar to those of previously tested basalt cores from the Hanford area, but showed no significant trends; thus, generalizations are risky at this time. However, density was found to be a good guide to thermal and physical properties--higher density basalt cores showed significant improvements in physical and thermal properties.

  19. Study of the effects of salicylic acid on soybean mitochondrial lipids and respiratory properties using the alternative oxidase as a stress-reporter protein.

    Science.gov (United States)

    Matos, Ana Rita; Mendes, Ana Teresa; Scotti-Campos, Paula; Arrabaça, João Daniel

    2009-12-01

    Biotic and abiotic stresses can lead to modifications in the lipid composition of cell membranes. Although mitochondria appear to be implicated in stress responses, little is known about the membrane lipid changes that occur in these organelles in plants. Besides cytochrome c oxidase, plant mitochondria have an alternative oxidase (AOX) that accepts electrons directly from ubiquinol, dissipating energy as heat. AOX upregulation occurs under a variety of stresses and its induction by salicylic acid (SA) has been observed in different plant species. AOX was also suggested to be used as a functional marker for cell reprogramming under stress. In the present study, we have used etiolated soybean (Glycine max (L.) Merr. cv Cresir) seedlings to study the effects of SA treatment on the lipid composition and the respiratory properties of hypocotyl mitochondria. AOX expression was studied in detail, as a reporter protein, to evaluate whether modifications in mitochondrial energy metabolism were occurring. In mitochondria extracted from SA-treated seedlings, AOX capacity and protein contents increased. Both AOX1 and AOX2b transcripts accumulated in response to SA, but with different kinetics. A reduction in external NADH oxidation capacity was observed, whereas succinate respiration remained unchanged. The phospholipid composition of mitochondria remained similar in control and SA-treated plants, but a reduction in the relative amount of linolenic acid was observed in phosphatidylcholine, phosphatidylethanolamine and cardiolipin. The possible causes of the fatty acid modifications observed, and the implications for mitochondrial metabolism are discussed.

  20. Methods of nonlinear kinetics

    OpenAIRE

    Gorban, A. N.; Karlin, I.V.

    2003-01-01

    Nonlinear kinetic equations are reviewed for a wide audience of specialists and postgraduate students in physics, mathematical physics, material science, chemical engineering and interdisciplinary research. Contents: The Boltzmann equation, Phenomenology and Quasi-chemical representation of the Boltzmann equation, Kinetic models, Discrete velocity models, Direct simulation, Lattice Gas and Lattice Boltzmann models, Minimal Boltzmann models for flows at low Knudsen number, Other kinetic equati...

  1. Kinetics, Ca2+ dependence, and biophysical properties of integrin-mediated mechanical modulation of transmitter release from frog motor nerve terminals

    Science.gov (United States)

    Chen, B. M.; Grinnell, A. D.

    1997-01-01

    Neurotransmitter release from frog motor nerve terminals is strongly modulated by change in muscle length. Over the physiological range, there is an approximately 10% increase in spontaneous and evoked release per 1% muscle stretch. Because many muscle fibers do not receive suprathreshold synaptic inputs at rest length, this stretch-induced enhancement of release constitutes a strong peripheral amplifier of the spinal stretch reflex. The stretch modulation of release is inhibited by peptides that block integrin binding of natural ligands. The modulation varies linearly with length, with a delay of no more than approximately 1-2 msec and is maintained constant at the new length. Moreover, the stretch modulation persists in a zero Ca2+ Ringer and, hence, is not dependent on Ca2+ influx through stretch activated channels. Eliminating transmembrane Ca2+ gradients and buffering intraterminal Ca2+ to approximately normal resting levels does not eliminate the modulation, suggesting that it is not the result of release of Ca2+ from internal stores. Finally, changes in temperature have no detectable effect on the kinetics of stretch-induced changes in endplate potential (EPP) amplitude or miniature EPP (mEPP) frequency. We conclude, therefore, that stretch does not act via second messenger pathways or a chemical modification of molecules involved in the release pathway. Instead, there is direct mechanical modulation of release. We postulate that tension on integrins in the presynaptic membrane is transduced mechanically into changes in the position or conformation of one or more molecules involved in neurotransmitter release, altering sensitivity to Ca2+ or the equilibrium for a critical reaction leading to vesicle fusion.

  2. Kinetics and mechanism of desulfurization and denitrogenation of coal-derived liquids. Eleventh quarterly report, December 21, 1977-March 20, 1978

    Energy Technology Data Exchange (ETDEWEB)

    Gates, B. C.; Katzer, J. R.; Olson, J. H.; Kwart, H.; Stiles, A. B.

    1978-05-20

    Three high-pressure flow microreactors and two batch autoclave reactors have been used to study the reaction networks and kinetics of (1) catalytic hydrodesulfurization of dibenzothiophene and methyl-substituted dibenzothiophenes, and (2) catalytic hydrodenitrogenation of quinoline, methyl-substituted quinolines, acridine, benzacridines, dibenzacridine, and carbazole. The catalysts were commercial, sulfided CoO-MoO/sub 3//..gamma..-Al/sub 2/O/sub 3/, NiO-MoO/sub 3//..gamma..-Al/sub 2/O/sub 3/, and NiO-WO/sub 3//..gamma..-Al/sub 2/O/sub 3/. The results of the experiments are described. (LTN)

  3. Preventing Corrosion by Controlling Cathodic Reaction Kinetics

    Science.gov (United States)

    2016-03-25

    Preventing corrosion by controlling cathodic reaction kinetics Progress Report for Period: 1 SEP 2015-31 MAR 2016 John Keith Department of...25 March 2016 Preventing corrosion by controlling cathodic reaction kinetics Annual Summary Report: FY16 PI: John Keith, 412-624-7016,jakeith...dominate the metal’s cathodic behavior. Within an alkaline environment, we expect the following reduction reactions to be catalyzed on the oxide

  4. CRADA Final Report for CRADA No. ORNL99-0544, Interfacial Properties of Electron Beam Cured Composites

    Energy Technology Data Exchange (ETDEWEB)

    Janke, C.J.

    2005-10-17

    manage the large project team and properly address the various technical tasks, the CRADA team was organized into integrated project teams (IPT's) with each team focused on specific research areas. Early in the project, the end user partners developed ''exit criteria'', recorded in Appendix B, against which the project's success was to be judged. The project team made several important discoveries. A number of fiber coatings or treatments were developed that improved fiber-matrix adhesion by 40% or more, according to microdebond testing. The effects of dose-time and temperature-time profiles during the cure were investigated, and it was determined that fiber-matrix adhesion is relatively insensitive to the irradiation procedure, but can be elevated appreciably by thermal postcuring. Electron beam curable resin properties were improved substantially, with 80% increase in electron beam 798 resin toughness, and {approx}25% and 50% improvement, respectively, in ultimate tensile strength and ultimate tensile strain vs. earlier generation electron beam curable resins. Additionally, a new resin electron beam 800E was developed with generally good properties, and a very notable 120% improvement in transverse composite tensile strength vs. earlier generation electron beam cured carbon fiber reinforced epoxies. Chemical kinetics studies showed that reaction pathways can be affected by the irradiation parameters, although no consequential effects on material properties have been noted to date. Preliminary thermal kinetics models were developed to predict degree of cure vs. irradiation and thermal parameters. These models are continually being refined and validated. Despite the aforementioned impressive accomplishments, the project team did not fully realize the project objectives. The best methods for improving adhesion were combined with the improved electron beam 3K resin to make prepreg and uni-directional test laminates from which composite

  5. Effect of in situ exopolysaccharide production on physicochemical, rheological, sensory, and microstructural properties of the yogurt drink ayran: an optimization study based on fermentation kinetics.

    Science.gov (United States)

    Yilmaz, M T; Dertli, E; Toker, O S; Tatlisu, N B; Sagdic, O; Arici, M

    2015-03-01

    Exopolysaccharide (EPS)-producing starter cultures are preferred for the manufacture of fermented milk products to improve rheological and technological properties. However, no clear correlation exists between EPS production and the rheological and technological properties of fermented milk products such as the yogurt drink ayran. In this study, 4 different strain conditions (EPS- and EPS+ Streptococcus thermophilus strains) were tested as a function of incubation temperature (32, 37, or 42°C) and time (2, 3, or 4 h) to determine the effect of culture type and in situ EPS production on physicochemical, rheological, sensory, and microstructural properties of ayran. Furthermore, we assessed the effect of fermentation conditions on amounts of EPS production by different EPS-producing strains during ayran production. A multifactorial design of response surface methodology was used to model linear, interaction, and quadratic effects of these variables on steady shear rheological properties of ayran samples and in situ EPS production levels. The physicochemical and microbiological characteristics of ayran samples altered depending on incubation conditions and strain selection. Steady shear tests showed that ayran samples inoculated with EPS+ strains exhibited pseudoplastic flow behavior. Production of ayran with EPS- strain (control sample) resulted in the lowest apparent viscosity values (η50), whereas those produced with the combination of 2 EPS+ strains yielded ayran with notably increased η50 values. We concluded that incubation time was the variable with the greatest effect on η50, consistency coefficient (K), and flow behavior index (n) values. In situ EPS production was also affected by these conditions during ayran fermentation in which strain-specific metabolism conditions were found to be the most important factor for EPS production. In addition, these findings correlated the amount of in situ EPS produced with the rheological properties of ayran. Scanning

  6. Psychometric properties of the Spanish version of the self-report Personality Diagnostic Questionnaire -4+ (PDQ-4+) in psychiatric outpatients.

    Science.gov (United States)

    Calvo, Natalia; Gutiérrez, Fernando; Andión, Oscar; Caseras, Xavier; Torrubia, Rafael; Casas, Miguel

    2012-02-01

    We examined the psychometric properties of the Spanish version of the self-report Personality Diagnostic Questionnaire-4+ (PDQ-4+) in a sample of 437 psychiatric outpatients. Psychometric properties were assessed through internal consistency analysis, exploratory factor analysis (EFA) and concurrent validity. Results indicate that the Spanish version of the PDQ-4+ has moderate internal consistency, which was acceptable for 7 of the 12 self-report scales. The factor structure roughly replicated the DSM-IV clusters. The presence of Personality Disorders was associated with the character dimensions of the Temperament and Character Inventory (TCI).

  7. Kinetic Modeling of Biological Systems

    Energy Technology Data Exchange (ETDEWEB)

    Resat, Haluk; Petzold, Linda; Pettigrew, Michel F.

    2009-04-21

    The dynamics of how its constituent components interact define the spatio-temporal response of a natural system to stimuli. Modeling the kinetics of the processes that represent a biophysical system has long been pursued with the aim of improving our understanding of the studied system. Due to the unique properties of biological systems, in addition to the usual difficulties faced in modeling the dynamics of physical or chemical systems, biological simulations encounter difficulties that result from intrinsic multiscale and stochastic nature of the biological processes. This chapter discusses the implications for simulation of models involving interacting species with very low copy numbers, which often occur in biological systems and give rise to significant relative fluctuations. The conditions necessitating the use of stochastic kinetic simulation methods and the mathematical foundations of the stochastic simulation algorithms are presented. How the well-organized structural hierarchies often seen in biological systems can lead to multiscale problems, and possible ways to address the encountered computational difficulties are discussed. We present the details of the existing kinetic simulation methods, and discuss their strengths and shortcomings. A list of the publicly available kinetic simulation tools and our reflections for future prospects are also provided.

  8. Fundamental study of the mechanism and kinetics of cellulose hydrolysis by acids and enzymes. Final report, June 1, 1978-January 31, 1981

    Energy Technology Data Exchange (ETDEWEB)

    Gong, C.S.; Chang, M.

    1981-02-01

    There are three basic enzymes (e.g., endoglucanase (C/sub x/), exoglucanase (C/sub 1/) and cellobiase) comprising the majority of extracellular cellulase enzymes produced by the cellulolytic mycelial fungi, Trichoderma reesei, and other cellulolytic microorganisms. The enzymes exhibited different mode of actions in respect to the hydrolysis of cellulose and cellulose derived oligosaccharides. In combination, these enzymes complimented each other to hydrolyze cellulose to its basic constituent, glucose. The kinetics of cellobiase were developed on the basis of applying the pseudo-steady state assumption to hydrolyze cellobiose to glucose. The results indicated that cellobiase was subjected to end-product inhibition by glucose. The kinetic modeling of exoglucanase (C/sub 1/) with respect to cellodextrins was studied. Both glucose and cellobiose were found to be inhibitors of this enzyme with cellobiose being a stronger inhibitor than glucose. Similarly, endoglucanase (C/sub x/) is subject to end-product inhibition by glucose. Crystallinity of the cellulose affects the rate of hydrolysis by cellulases. Hence, the changes in crystallinity of cellulose in relation to chemical pretreatment and enzyme hydrolysis was compared. The study of cellulase biosynthesis resulted in the conclusion that exo- and endo-glucanases are co-induced while cellobiase is synthesized independent of the other two enzymes. The multiplicity of cellulase enzymes are the end results of post-translational modification during and/or after the secretion of enzymes into growth environment.

  9. Adsorption properties of kaolinite-based nanocomposites for Fe and Mn pollutants from aqueous solutions and raw ground water: kinetics and equilibrium studies.

    Science.gov (United States)

    Shaban, Mohamed; Hassouna, Mohamed E M; Nasief, Fadya M; AbuKhadra, Mostafa R

    2017-08-17

    Raw kaolinite was used in the synthesis of metakaolinite/carbon nanotubes (K/CNTs) and kaolinite/starch (K/starch) nanocomposites. Raw kaolinite and the synthetic composites were characterized using XRD, SEM, and TEM techniques. The synthetic composites were used as adsorbents for Fe and Mn ions from aqueous solutions and natural underground water. The adsorption by the both composites is highly pH dependent and achieves high efficiency within the neutral pH range. The experimental adsorption data for the uptake of Fe and Mn ions by K/CNTs were found to be well represented by the pseudo-second-order kinetic model rather than the intra-particle diffusion model or Elovich model. For the adsorption using K/starch, the uptake results of Fe ions was well fitted by the second-order model, whereas the uptake of Mn ions fitted well to the Elovich model rather than pseudo-second-order and intra-particle diffusion models The equilibrium studies revealed the excellent fitting of the removal of Fe and Mn ions by K/CNTs and Fe using K/starch with the Langmuir isotherm model rather than with Freundlich and Temkin models. But the adsorption of Mn ions by K/starch is well fitted with Freundlich rather than Temkin and Langmuir isotherm models. The thermodynamic studies reflected the endothermic nature and the exothermic nature for the adsorption by K/CNTs and K/starch nanocomposites, respectively. Natural ground water contaminated by 0.4 mg/L Fe and 0.5 mg/L Mn was treated at the optimum conditions of pH 6 and 120 min contact time. Under these conditions, 92.5 and 72.5% Fe removal efficiencies were achieved using 20 mg of K/CNTs and K/starch nanocomposites, respectively. Also, K/CNTs nanocomposite shows higher efficiency in the removal of Mn ions as compared to K/starch nanocomposite.

  10. Lateral variations of radiobiological properties of therapeutic fields of 1H, 4He, 12C and 16O ions studied with Geant4 and microdosimetric kinetic model

    Science.gov (United States)

    Dewey, Sophie; Burigo, Lucas; Pshenichnov, Igor; Mishustin, Igor; Bleicher, Marcus

    2017-07-01

    As known, in cancer therapy with ion beams the relative biological effectiveness (RBE) of ions changes in the course of their propagation in tissues. Such changes are caused not only by increasing the linear energy transfer (LET) of beam particles with the penetration depth towards the Bragg peak, but also by nuclear reactions induced by beam nuclei leading to the production of various secondary particles. Although the changes of RBE along the beam axis have been studied quite well, much less attention has been paid to the evolution of RBE in the transverse direction, perpendicular to the beam axis. In order to fill this gap, we simulated radiation fields of 1H, 4He, 12C and 16O nuclei of 20 mm in diameter by means of a Geant4-based Monte Carlo model for heavy-ion therapy connected with the modified microdosimetric kinetic model to describe the response of normal ((α/β)_x-rays=3.8 Gy) and early-responding ((α/β)_x-rays=10 Gy) tissues. Depth and radial distributions of saturation-corrected dose-mean lineal energy, RBE and RBE-weighted dose are investigated for passive beam shaping and active beam scanning. The field of 4He has a small lateral spread as compared with 1H field, and it is characterised by a modest lateral variation of RBE suggesting the use of fixed RBE values across the field transverse cross section at each depth. Reduced uncertainties of RBE on the boundary of a 4He treatment field can be advantageous in a specific case of an organ at risk located in lateral proximity to the target volume. It is found that the lateral distributions of RBE calculated for 12C and 16O fields demonstrate fast variations in the radial direction due to changes of dose and composition of secondary fragments in the field penumbra. Nevertheless, the radiation fields of all four projectiles at radii larger than 20 mm can be characterized by a common RBE value defined by tissue radiosensitivity. These findings can help, in particular, in accessing the transverse

  11. The catalytic properties of hybrid Rubisco comprising tobacco small and sunflower large subunits mirror the kinetically equivalent source Rubiscos and can support tobacco growth.

    Science.gov (United States)

    Sharwood, Robert Edward; von Caemmerer, Susanne; Maliga, Pal; Whitney, Spencer Michael

    2008-01-01

    Plastomic replacement of the tobacco (Nicotiana tabacum) Rubisco large subunit gene (rbcL) with that from sunflower (Helianthus annuus; rbcL(S)) produced tobacco(Rst) transformants that produced a hybrid Rubisco consisting of sunflower large and tobacco small subunits (L(s)S(t)). The tobacco(Rst) plants required CO(2) (0.5% v/v) supplementation to grow autotrophically from seed despite the substrate saturated carboxylation rate, K(m), for CO(2) and CO(2)/O(2) selectivity of the L(s)S(t) enzyme mirroring the kinetically equivalent tobacco and sunflower Rubiscos. Consequently, at the onset of exponential growth when the source strength and leaf L(s)S(t) content were sufficient, tobacco(Rst) plants grew to maturity without CO(2) supplementation. When grown under a high pCO(2), the tobacco(Rst) seedlings grew slower than tobacco and exhibited unique growth phenotypes: Juvenile plants formed clusters of 10 to 20 structurally simple oblanceolate leaves, developed multiple apical meristems, and the mature leaves displayed marginal curling and dimpling. Depending on developmental stage, the L(s)S(t) content in tobacco(Rst) leaves was 4- to 7-fold less than tobacco, and gas exchange coupled with chlorophyll fluorescence showed that at 2 mbar pCO(2) and growth illumination CO(2) assimilation in mature tobacco(Rst) leaves remained limited by Rubisco activity and its rate (approximately 11 micromol m(-2) s(-1)) was half that of tobacco controls. (35)S-methionine labeling showed the stability of assembled L(s)S(t) was similar to tobacco Rubisco and measurements of light transient CO(2) assimilation rates showed L(s)S(t) was adequately regulated by tobacco Rubisco activase. We conclude limitations to tobacco(Rst) growth primarily stem from reduced rbcL(S) mRNA levels and the translation and/or assembly of sunflower large with the tobacco small subunits that restricted L(s)S(t) synthesis.

  12. Electron transfer properties of alkoxyl radicals. A time-resolved kinetic study of the reactions of the tert-butoxyl, cumyloxyl, and benzyloxyl radicals with alkyl ferrocenes.

    Science.gov (United States)

    Bietti, Massimo; DiLabio, Gino A; Lanzalunga, Osvaldo; Salamone, Michela

    2010-09-03

    A time-resolved kinetic study on the reactions of the tert-butoxyl (t-BuO*), cumyloxyl (CumO*), and benzyloxyl (BnO*) radicals with alkylferrocenes has been carried out in MeCN solution. With all radicals, clear evidence for an electron transfer (ET) process has been obtained, and with the same ferrocene donor, the reactivity has been observed to increase in the order t-BuO* < CumO* < BnO*, with the difference in reactivity approaching 3 orders of magnitude on going from t-BuO* to BnO*. With BnO*, an excellent fit to the Marcus equation has been obtained, from which a value of the reduction potential of BnO* (E degrees(BnO*/BnO(-)) = 0.54 V/SCE) has been derived. The latter value appears, however, to be significantly higher than the previously determined reduction potential values for alkoxyl radicals and in contrast with the differences in the computed solution-phase electron affinities determined for t-BuO*, CumO*, and BnO*, indicating that the reaction of BnO* with ferrocene donors may not be described in terms of a straightforward outer sphere ET mechanism. From these data, and taking into account the available value of the reduction potential for CumO*, a value of E degrees (BnO*/BnO(-)) = -0.10 V/SCE has been estimated. On the basis of computational evidence for the formation of a pi-stacked prereaction complex in the reaction between BnO* and DcMFc, an alternative ET mechanism is proposed for the reactions of both CumO* and BnO*. In these cases, the delocalized nature of the unpaired electron allows for the aromatic ring to act as an electron relay by mediating the ET from the ferrocene donor to the formal oxygen radical center. This hypothesis is also in line with the observation that both BnO* and CumO* react with the ferrocene donors with rate constants that are in all cases at least 2 orders of magnitude higher than those measured for t-BuO*, wherein the radical is well-localized.

  13. Thiol-Ene Photo-Click Collagen-PEG Hydrogels: Impact of Water-Soluble Photoinitiators on Cell Viability, Gelation Kinetics and Rheological Properties

    Directory of Open Access Journals (Sweden)

    Róisín Holmes

    2017-06-01

    Full Text Available Thiol-ene photo-click hydrogels were prepared via step-growth polymerisation using thiol-functionalised type-I collagen and 8-arm poly(ethylene glycol norbornene-terminated (PEG-NB, as a potential injectable regenerative device. Type-I collagen was thiol-functionalised by a ring opening reaction with 2-iminothiolane (2IT, whereby up to 80 Abs.% functionalisation and 90 RPN% triple helical preservation were recorded via 2,4,6-Trinitrobenzenesulfonic acid (TNBS colorimetric assay and circular dichroism (CD. Type, i.e., either 2-Hydroxy-1-[4-(2-hydroxyethoxy phenyl]-2-methyl-1-propanone (I2959 or lithium phenyl-2,4,6-trimethylbenzoylphosphinate (LAP, and concentration of photoinitiator were varied to ensure minimal photoinitiator-induced cytotoxicity and to enable thiol-ene network formation of collagen-PEG mixtures. The viability of G292 cells following 24 h culture in photoinitiator-supplemented media was largely affected by the photoinitiator concentration, with I2959-supplemented media observed to induce higher toxic response (0.1 → 0.5% (w/v I2959, cell survival: 62 → 2 Abs.% compared to LAP-supplemented media (cell survival: 86 → 8 Abs.%. In line with the in vitro study, selected photoinitiator concentrations were used to prepare thiol-ene photo-click hydrogels. Gelation kinetics proved to be largely affected by the specific photoinitiator, with LAP-containing thiol-ene mixtures leading to significantly reduced complete gelation time (τ: 187 s with respect to I2959-containing mixtures (τ: 1683 s. Other than the specific photoinitiator, the photoinitiator concentration was key to adjusting the hydrogel storage modulus (G’, whereby 15-fold G’ increase (232 → 3360 Pa was observed in samples prepared with 0.5% (w/v compared to 0.1% (w/v LAP. Further thiol-ene formulations with 0.5% (w/v LAP and varied content of PEG-NB were tested to prepare photo-click hydrogels with porous architecture, as well as tunable storage modulus (G

  14. Secondary materials: Engineering properties, environmental consequences, and social and economic impacts. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Breslin, V.; Reaven, S.; Schwartz, M.; Swanson, L.; Zweig, M.; Bortman, M.; Schubel, J.

    1993-08-01

    This report investigates two secondary materials, plastic lumber made from mixed plastic waste, and cement blocks and structures made with incinerator ash. Engineering properties, environmental impacts, and energy costs and savings of these secondary materials are compared to standard lumber products and cement blocks. Market capacity and social acceptance of plastic lumber and stabilized ash products are analyzed. These secondary materials apparently have potential markets; however, their economic value is primarily that they will not take up landfill space. For plastic lumber and stabilized incinerator ash products, marine and highway construction seem ideal public works applications. Incinerator ash may be suitable to use in seawalls, jetties, fishing reefs, highway barriers, and roadbed applications. Docks, piers, highway sound barriers, parking stops, and park furniture may all be made from plastic lumber. To encourage public acceptance and improve the market potential of secondary materials, these activities could be beneficial: industry should emphasize developing useful, long-lived products; industry and governments should create product performance criteria; government should provide rigorous testing and demonstration programs; and government and industry should cooperate to improve public outreach and educational programs.

  15. Area 5 Site Characterization Project: Report of hydraulic property analysis through August 1993

    Energy Technology Data Exchange (ETDEWEB)

    Estrella, R.; Tyler, S.; Chapman, J.; Miller, M.

    1993-12-01

    The Area 5 Site Characterization Project is designed to determine the suitability of the Radioactive Waste Management Site (RWMS) for disposal of low-level waste (LLW), mixed waste (MW) and transuranic waste (TRU). The Desert Research Institute (DRI) has supported the Area 5 Site Characterization Project for the US Department of Energy, Nevada Operations Office (DOE/NV), Environmental Restoration and Waste Management Division (ERWM), Waste Operations Branch (WOB). The purpose of DRI`s Area 5 Site Characterization project is to characterize important properties of the upper vadose zone which influence infiltration and redistribution of water and transport of solutes as well as to characterize the water quality and hydrologic conditions of the uppermost aquifer. This report describes methods and presents a summary of all data and results from laboratory physical and chemical testing from Pilot Wells and Science Trench borehole samples through August 1993. DRI laboratories performed soil water content, soil water potential, soil bulk density, soil water extract isotope analyses and soil water chemistry analyses.

  16. Property description and fact-finding report for NOSR 1&3, Garfield County, Colorado

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-06-30

    The US Department of Energy has asked Gustavson Associates, Inc. to serve as an Independent Petroleum Consultant under contract DE-AC01-96FE64202. This authorizes a study and recommendations regarding future development of Naval Oil Shale No. 1 and No. 3 (NOSR 1 and 3) in Garfield County, Colorado. The report that follows is the Phase I fact-finding and property description for that study. The United States of America claims ownership of 100 percent of the minerals and 100 percent of the surface rights in 36,406-acre NOSR-1 and 20,171-acre at NOSR-3. Production has been established on NOSR-3 and currently the DOE owns interests in 53 gas wells that produce on or immediately adjacent to the acreage. NOSR-3 also contains undrilled locations that are classified as proved undeveloped or probable reserves. Recently, the Colorado Oil and Gas Commission (COGCC) approved an increased 40 acre drilling density for the Mesaverde formation that includes portions of NOSR-3.

  17. CRADA Final Report for CRADA No. ORNL99-0544, Interfacial Properties of Electron Beam Cured Composites

    Energy Technology Data Exchange (ETDEWEB)

    Janke, C.J.

    2005-10-17

    manage the large project team and properly address the various technical tasks, the CRADA team was organized into integrated project teams (IPT's) with each team focused on specific research areas. Early in the project, the end user partners developed ''exit criteria'', recorded in Appendix B, against which the project's success was to be judged. The project team made several important discoveries. A number of fiber coatings or treatments were developed that improved fiber-matrix adhesion by 40% or more, according to microdebond testing. The effects of dose-time and temperature-time profiles during the cure were investigated, and it was determined that fiber-matrix adhesion is relatively insensitive to the irradiation procedure, but can be elevated appreciably by thermal postcuring. Electron beam curable resin properties were improved substantially, with 80% increase in electron beam 798 resin toughness, and {approx}25% and 50% improvement, respectively, in ultimate tensile strength and ultimate tensile strain vs. earlier generation electron beam curable resins. Additionally, a new resin electron beam 800E was developed with generally good properties, and a very notable 120% improvement in transverse composite tensile strength vs. earlier generation electron beam cured carbon fiber reinforced epoxies. Chemical kinetics studies showed that reaction pathways can be affected by the irradiation parameters, although no consequential effects on material properties have been noted to date. Preliminary thermal kinetics models were developed to predict degree of cure vs. irradiation and thermal parameters. These models are continually being refined and validated. Despite the aforementioned impressive accomplishments, the project team did not fully realize the project objectives. The best methods for improving adhesion were combined with the improved electron beam 3K resin to make prepreg and uni-directional test laminates from which composite

  18. Thermodynamic properties and solidification kinetics of intermetallic Ni{sub 7}Zr{sub 2} alloy investigated by electrostatic levitation technique and theoretical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Li, L. H.; Hu, L.; Yang, S. J.; Wang, W. L.; Wei, B., E-mail: bbwei@nwpu.edu.cn [Department of Applied Physics, Northwestern Polytechnical University, Xi' an 710072 (China)

    2016-01-21

    The thermodynamic properties, including the density, volume expansion coefficient, ratio of specific heat to emissivity of intermetallic Ni{sub 7}Zr{sub 2} alloy, have been measured using the non-contact electrostatic levitation technique. These properties vary linearly with temperature at solid and liquid states, even down to the obtained maximum undercooling of 317 K. The enthalpy, glass transition, diffusion coefficient, shear viscosity, and surface tension were obtained by using molecular dynamics simulations. Ni{sub 7}Zr{sub 2} has a relatively poor glass forming ability, and the glass transition temperature is determined as 1026 K. The inter-diffusivity of Ni{sub 7}Zr{sub 2} alloy fitted by Vogel–Fulcher–Tammann law yields a fragility parameter of 8.49, which indicates the fragile nature of this alloy. Due to the competition of increased thermodynamic driving force and decreased atomic diffusion, the dendrite growth velocity of Ni{sub 7}Zr{sub 2} compound exhibits double-exponential relationship to the undercooling. The maximum growth velocity is predicted to be 0.45 m s{sup −1} at the undercooling of 335 K. Theoretical analysis reveals that the dendrite growth is a diffusion-controlled process and the atomic diffusion speed is only 2.0 m s{sup −1}.

  19. Annual Report of Combustion Chemical Kinetics Research 2013%燃烧化学动力学研究2013年度报告

    Institute of Scientific and Technical Information of China (English)

    齐飞; 刘世林; 陈旸; 胡水明; 苏红梅

    2016-01-01

    燃烧为现代社会提供了约80%的能源,在工业、运输、国防等领域均具有不可替代的作用。当前,燃烧学逐步从宏观现象学转向注重亚微尺度的湍流模拟和原分子层次的燃烧化学动力学研究,深入了解燃料组分、分子结构和燃烧条件与燃烧效率及污染物排放等的关系。开展对于航空燃料和新兴生物质燃料的燃烧本质和机理研究,在国家安全和能源战略等方面都具有重要意义。该年度主要针对真空紫外光电离技术在燃烧研究中的应用、航空燃料重要组分和生物质燃料燃烧化学动力学等方面开展了研究工作。在真空紫外光电离技术在燃烧研究中的应用方面,课题组将同步辐射真空紫外光电离质谱技术应用于常压层流预混火焰、煤热解和生物质热解等方面的研究,并在国际权威燃烧学期刊刊登文章,介绍对基于同步辐射的燃烧诊断方法的突破性发展以及在燃烧研究中的开拓性应用。在航空燃料重要组分和生物质燃料燃烧化学动力学研究方面,针对航空燃料重要组分甲基环己烷的热解及燃烧开展了实验和动力学模型研究,针对仲丁醇的热解和燃烧、正丁醇掺混的甲烷同轴扩散火焰和丙酸甲酯的低压热解开展了实验和动力学模型研究,对这些热点生物质燃料的燃烧化学动力学问题开展了深入的探索。%Combustion provides over 80% energy supply for modern society, and plays irreplaceable roles in core fields such as industry, transportation and national defense. At present, combustion studies are moving from macroscale phenomenology to microscale turbulent simulation and combustion chemical kinetics, focusing on understanding the relationships of fuel compositions, molecule structures and combustion conditions with combustion efficiencies and pollutant emissions. In particular, the studies of combustion chemical kinetics of jet

  20. P2-type Na2/3Mn1-xAlxO2 cathode material for sodium-ion batteries: Al-doped enhanced electrochemical properties and studies on the electrode kinetics

    Science.gov (United States)

    Pang, Wei-Lin; Zhang, Xiao-Hua; Guo, Jin-Zhi; Li, Jin-Yue; Yan, Xin; Hou, Bao-Hua; Guan, Hong-Yu; Wu, Xing-Long

    2017-07-01

    Recently, sodium-ion batteries (SIBs) have been considered as the promising alternative for lithium-ion batteries. Although layered P2-type transition metal oxides are an important class of cathode materials for SIBs, there are still some hurdles for the practical applications, including low specific capacity as well as poor cycling and rate properties. In this study, the electrochemical properties of layered Mn-based oxides have been effectively improved via Al doping, which cannot only promote the formation of layered P2-type structure in the preparation processes but also stabilize the lattice during the successive Na-intercalation/deintercalation due to suppression of the Jahn-Teller distortion of Mn3+. Among the as-prepared series of Na2/3Mn1-xAlxO2 (x = 0, 1/18, 1/9, and 2/9), Na2/3Mn8/9Al1/9O2 with x = 1/9 exhibits the optimal doping effect with the best electrochemical properties, in terms of the highest specific capacity of 162.3 mA h g-1 at 0.1 C, the highest rate capability, and the best cycling stability in comparison to the undoped Na2/3MnO2 and the other two materials with different Al-doped contents. Both cyclic voltammetry at varied scan rates and galvanostatic intermittent titration technique disclose the optimal electrode kinetics (the highest Na-diffusion coefficient) of the best Na2/3Mn8/9Al1/9O2.

  1. Effect of valine 106 on structure-function relation of cytosolic human thymidine kinase - Kinetic properties and oligomerization pattern of nine substitution mutants of V106

    DEFF Research Database (Denmark)

    Frederiksen, Hanne; Berenstein, Dvora; Munch-Petersen, Birgitte

    2004-01-01

    Information on the regulation and structure-function relation of enzymes involved in DNA precursor synthesis is pivotal, as defects in several of these enzymes have been found to cause depletion or deletion of mitochondrial DNA resulting in severe diseases. Here, the effect of amino acid 106...... on the enzymatic properties of the cell-cycle-regulated human cytosolic thymidine kinase 1 (TK1) is investigated. On the basis of the previously observed profound differences between recombinant TK1 with Val106 (V106WT) and Met106 (V106M) in catalytic activity and oligomerization pattern, we designed...... transition from a dimer with low catalytic activity to a tetramer with high catalytic activity. Group II (V106G, V106H, V106K, V106L and V106Q) behaves like V106M in that they are permanently high activity tetramers, irrespective of ATP exposure. We conclude that size and conformation of amino acid 106...

  2. Assessment of the Morphological, Biochemical, and Kinetic Properties for Candida rugosa Lipase Immobilized on Hydrous Niobium Oxide to Be Used in the Biodiesel Synthesis

    Directory of Open Access Journals (Sweden)

    Michele Miranda

    2011-01-01

    Full Text Available Lipase from Candida rugosa (CRL was immobilized by covalent attachment on hydrous niobium oxide. The matrix could effectively be attached to the enzyme with high retention of activity and prevent its leakage. Following immobilization, CRL exhibited improved storage stability and performed better at higher incubation temperatures. In addition, the enzyme retained most of its catalytic efficiency after successive operational cycles. The immobilized derivative was also fully characterized with respect to its morphological properties: particle size, surface specific area, and pore size distribution. Structural integrity and conformational changes, such as surface cavities in the support, set by the lipase procedure, were observed by Scanning Electron Microscopy. Additionally, a comparative study between free and immobilized lipases was provided in terms of pH, temperature, and thermal stability. CRL derivative was evaluated for the synthesis of biodiesel employing babassu oil and short chain alcohols. The process was feasible only for oil and butanol reaction system.

  3. INTERNATIONAL PROGRAM: SUMMARY REPORT ON THE PROPERTIES OF CEMENTITIOUS WASTE FORMS

    Energy Technology Data Exchange (ETDEWEB)

    Harbour, J

    2007-03-02

    This report provides a summary of the results on the properties of cementitious waste forms obtained as part of the International Program. In particular, this report focuses on the results of Task 4 of the Program that was initially entitled ''Improved Retention of Key Contaminants of Concern in Low Temperature Immobilized Waste Forms''. Task 4 was a joint program between Khlopin Radium Institute and the Savannah River National Laboratory. The task evolved during this period into a study of cementitious waste forms with an expanded scope that included heat of hydration and fate and transport modeling. This report provides the results for Task 4 of the International Program as of the end of FY06 at which time funding for Task 4 was discontinued due to the needs of higher priority tasks within the International Program. Consequently, some of the subtasks were only partially completed, but it was considered important to capture the results up to this point in time. Therefore, this report serves as the closeout report for Task 4. The degree of immobilization of Tc-99 within the Saltstone waste form was measured through monolithic and crushed grout leaching tests. An effective diffusion coefficient of 4.8 x 10{sup -12} (Leach Index of 11.4) was measured using the ANSI/ANS-16.1 protocol which is comparable with values obtained for tank closure grouts using a dilute salt solution. The leaching results show that, in the presence of concentrated salt solutions such as those that will be processed at the Saltstone Production Facility, blast furnace slag can effectively reduce pertechnetate to the immobile +4 oxidation state. Leaching tests were also initiated to determine the degree of immobilization of selenium in the Saltstone waste form. Results were obtained for the upper bound of projected selenium concentration ({approx}5 x 10{sup -3} M) in the salt solution that will be treated at Saltstone. The ANSI/ANS 16.1 leaching tests provided a value for the

  4. Mechanism of protein kinetic stabilization by engineered disulfide crosslinks.

    Directory of Open Access Journals (Sweden)

    Inmaculada Sanchez-Romero

    Full Text Available The impact of disulfide bonds on protein stability goes beyond simple equilibrium thermodynamics effects associated with the conformational entropy of the unfolded state. Indeed, disulfide crosslinks may play a role in the prevention of dysfunctional association and strongly affect the rates of irreversible enzyme inactivation, highly relevant in biotechnological applications. While these kinetic-stability effects remain poorly understood, by analogy with proposed mechanisms for processes of protein aggregation and fibrillogenesis, we propose that they may be determined by the properties of sparsely-populated, partially-unfolded intermediates. Here we report the successful design, on the basis of high temperature molecular-dynamics simulations, of six thermodynamically and kinetically stabilized variants of phytase from Citrobacter braakii (a biotechnologically important enzyme with one, two or three engineered disulfides. Activity measurements and 3D crystal structure determination demonstrate that the engineered crosslinks do not cause dramatic alterations in the native structure. The inactivation kinetics for all the variants displays a strongly non-Arrhenius temperature dependence, with the time-scale for the irreversible denaturation process reaching a minimum at a given temperature within the range of the denaturation transition. We show this striking feature to be a signature of a key role played by a partially unfolded, intermediate state/ensemble. Energetic and mutational analyses confirm that the intermediate is highly unfolded (akin to a proposed critical intermediate in the misfolding of the prion protein, a result that explains the observed kinetic stabilization. Our results provide a rationale for the kinetic-stability consequences of disulfide-crosslink engineering and an experimental methodology to arrive at energetic/structural descriptions of the sparsely populated and elusive intermediates that play key roles in irreversible

  5. Self-reported health-related quality of life in kindergarten children : psychometric properties of the Kiddy-KINDL

    NARCIS (Netherlands)

    Villalonga-Olives, E.; Kiese-Himmel, C.; Witte, C.; Almansa, J.; Dusilova, I.; Hacker, K.; von Steinbuechel, N.

    2015-01-01

    Objectives: To assess the psychometric properties of the German self-reported version of the Kiddy-KINDL that measures Health Related Quality of Life (HRQoL) in 3 to 5 year old kindergarten children. Study design: The population of the study comprised baseline data of a longitudinal study whose main

  6. Final report on characterization of physical and mechanical properties of copper and copper alloys before and after irradiation

    DEFF Research Database (Denmark)

    Singh, B.N.; Tähtinen, S.

    2002-01-01

    The present report summarizes and highlights the main results of the work carried out during the last 5-6 years on effects of neutron irradiation on physical and mechanical properties of copper and copper alloys. The work was an European contribution toITER Research and Development programme...... amount of further effort is needed to find a realistic and optimum solution....

  7. Synthesis, Photochromic Kinetics, Fluorescence and Structure of a New 1,2-Diarylcyclopentene

    Institute of Scientific and Technical Information of China (English)

    PU ,Shou-Zhi; XIAO, Qiang; XU, Jing-Kun; SHEN, Liang; LI, Gui-Zhen; CHEN, Bing

    2006-01-01

    The photochromic diarylethene, 1,2-bis[2-methyl-5-(3-trifluoromethylphenyl)-3-thienyl]perfluorocyclopentene(BMTTP), was synthesized and its photochromic kinetics, fluorescence and X-ray structure were investigated. This compound underwent a photochromic reaction both in solution and the single crystalline phase. Its cyclization/cycloreversion process was determined to be zeroth/first order reaction, respectively, and this is the first report on the cyclization/cycloreversion reaction order. In addition, its fluorescence property was also discussed.

  8. Molecular dynamical studies of the dissociation of a diatomic molecular crystal. II. Equilibrium kinetics

    Science.gov (United States)

    Trevino, S. F.; Tsai, D. H.

    1984-07-01

    The properties of a molecular dynamical model undergoing equilibrium chemical reactions are reported. It is shown that the kinetics of the modeled reaction is consistent with established thermodynamic considerations. Further, at constant pressure, the relation between the Arrhenius energy of reaction ΔE, the potential energy change upon dissociation Δɛ, and the work done due to the volume change PΔV, viz, -ΔE=-(Δɛ+PΔV), is satisfied.

  9. Kinetic-scale magnetic turbulence and finite Larmor radius effects at Mercury

    CERN Document Server

    Uritsky, V M; Khazanov, G V; Donovan, E F; Boardsen, S A; Anderson, B J; Korth, H

    2011-01-01

    We use a nonstationary generalization of the higher-order structure function technique to investigate statistical properties of the magnetic field fluctuations recorded by MESSENGER spacecraft during its first flyby (01/14/2008) through the near Mercury's space environment, with the emphasis on key boundary regions participating in the solar wind -- magnetosphere interaction. Our analysis shows, for the first time, that kinetic-scale fluctuations play a significant role in the Mercury's magnetosphere up to the largest resolvable time scale ~20 s imposed by the signal nonstationarity, suggesting that turbulence at this planet is largely controlled by finite Larmor radius effects. In particular, we report the presence of a highly turbulent and extended foreshock system filled with packets of ULF oscillations, broad-band intermittent fluctuations in the magnetosheath, ion-kinetic turbulence in the central plasma sheet of Mercury's magnetotail, and kinetic-scale fluctuations in the inner current sheet encountered...

  10. In vivo amyloid aggregation kinetics tracked by time-lapse confocal microscopy in real-time.

    Science.gov (United States)

    Villar-Piqué, Anna; Espargaró, Alba; Ventura, Salvador; Sabate, Raimon

    2016-01-01

    Amyloid polymerization underlies an increasing number of human diseases. Despite this process having been studied extensively in vitro, aggregation is a difficult process to track in vivo due to methodological limitations and the slow kinetics of aggregation reactions in cells and tissues. Herein we exploit the amyloid properties of the inclusions bodies (IBs) formed by amyloidogenic proteins in bacteria to address the kinetics of in vivo amyloid aggregation. To this aim we used time-lapse confocal microscopy and a fusion of the amyloid-beta peptide (A β42) with a fluorescent reporter. This strategy allowed us to follow the intracellular kinetics of amyloid-like aggregation in real-time and to discriminate between variants exhibiting different in vivo aggregation propensity. Overall, the approach opens the possibility to assess the impact of point mutations as well as potential anti-aggregation drugs in the process of amyloid formation in living cells.

  11. INTERNATIONAL PROGRAM: SUMMARY REPORT ON THE PROPERTIES OF CEMENTITIOUS WASTE FORMS

    Energy Technology Data Exchange (ETDEWEB)

    Harbour, J

    2007-03-02

    This report provides a summary of the results on the properties of cementitious waste forms obtained as part of the International Program. In particular, this report focuses on the results of Task 4 of the Program that was initially entitled ''Improved Retention of Key Contaminants of Concern in Low Temperature Immobilized Waste Forms''. Task 4 was a joint program between Khlopin Radium Institute and the Savannah River National Laboratory. The task evolved during this period into a study of cementitious waste forms with an expanded scope that included heat of hydration and fate and transport modeling. This report provides the results for Task 4 of the International Program as of the end of FY06 at which time funding for Task 4 was discontinued due to the needs of higher priority tasks within the International Program. Consequently, some of the subtasks were only partially completed, but it was considered important to capture the results up to this point in time. Therefore, this report serves as the closeout report for Task 4. The degree of immobilization of Tc-99 within the Saltstone waste form was measured through monolithic and crushed grout leaching tests. An effective diffusion coefficient of 4.8 x 10{sup -12} (Leach Index of 11.4) was measured using the ANSI/ANS-16.1 protocol which is comparable with values obtained for tank closure grouts using a dilute salt solution. The leaching results show that, in the presence of concentrated salt solutions such as those that will be processed at the Saltstone Production Facility, blast furnace slag can effectively reduce pertechnetate to the immobile +4 oxidation state. Leaching tests were also initiated to determine the degree of immobilization of selenium in the Saltstone waste form. Results were obtained for the upper bound of projected selenium concentration ({approx}5 x 10{sup -3} M) in the salt solution that will be treated at Saltstone. The ANSI/ANS 16.1 leaching tests provided a value for the

  12. Kinetic studies of elementary chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Durant, J.L. Jr. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    This program concerning kinetic studies of elementary chemical reactions is presently focussed on understanding reactions of NH{sub x} species. To reach this goal, the author is pursuing experimental studies of reaction rate coefficients and product branching fractions as well as using electronic structure calculations to calculate transition state properties and reaction rate calculations to relate these properties to predicted kinetic behavior. The synergy existing between the experimental and theoretical studies allow one to gain a deeper insight into more complex elementary reactions.

  13. Kinetics of methane fermentation

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Y. R.; Hashimoto, A. G.

    1978-01-01

    The kinetics on methane fermentation are described using published data for livestock residue, sewage sludge, and municipal refuse. Methods are presented to determine the kinetic constants and the finally attainable methane production using steady-state methane production data. The effects of temperature, loading rate, and influent substrate concentration on methane fermentation kinetics are discussed. These relationships were used to predict the rate of methane production of a pilot-scale fermentor with excellent results.

  14. 75 FR 80426 - Defense Federal Acquisition Regulation Supplement; Reporting of Government-Furnished Property

    Science.gov (United States)

    2010-12-22

    ... serially managed, mission essential, sensitive, or controlled inventory. While the proposed rule adds... payments; (4) Intellectual property or software; and (5) Real property. 4. Revise section 211.274-6 to read..., as prescribed in 246.371. (L) Use the provision at 252.247-7026, Evaluation Preference for Use...

  15. Kinetic mean field theories: Results of energy constraint in maximizing entropy

    NARCIS (Netherlands)

    Stell, G.; Karkheck, J.; Beijeren, H. van

    1983-01-01

    Structure of liquids and solids; crystallography Classical, semiclassical, and quantum theories of liquid structure Statistical theories of liquid structure - Kinetic and transport theory of fluids; physical properties of gases Kinetic and transport theory

  16. Compaction properties, drug release kinetics and fronts movement studies of matrices combining mixtures of swellable and inert polymers. III: effect of polymer substitution type.

    Science.gov (United States)

    Escudero, J J; Ferrero, C; Casas, M; Jiménez-Castellanos, M R

    2012-09-15

    Theophylline radial release from cellulose derivatives with different substitution type (HPMC K4M, HPC H, MC A4M) matrix tablets has been modulated by the introduction of a new inert polymeric excipient, at different proportions (75, 50, 25%). The new polymer was hydroxypropylcellulose-methyl methacrylate (HCMMA), which was dried either in a vacuum oven (OD-HCMMA) or freeze-dried (FD-HCMMA). MC A4M and its mixtures presented the best compaction properties results, especially mixed with FD-HCMMA, according to 100% mixtures. Only high levels of HCMMA (75%) in the matrices showed interesting differences to drug release modulation. Also, at this proportion (75:25), the HPC H mixtures presented the highest differences in relation with OD or FD HCMMA respect to the other cellulose polymers. HPMC K4M and HPC H mixtures showed a combination of diffusion and erosion release mechanisms. The last one was nearly negligible in MC A4M mixtures, according with its highest diffusion rate constant values, and the absence of hydroxypropyl substituents. Only HPMC K4M mixtures presented a diffusion front that moves outwards, while HPC H and MC A4M moves inwards. The modulation of theophylline radial release was obtained using a high percentage of HCMMA, and the use of two cellulosic ethers, one of them with just one type of substituent (MC A4M or HPC H) and the other with two types of substituent (HPMC K4M). Another possibility is changing the HCMMA copolymer (OD or FD) in the 75/25 mixture with HPC. Copyright © 2012 Elsevier B.V. All rights reserved.

  17. Principles of chemical kinetics

    CERN Document Server

    House, James E

    2007-01-01

    James House's revised Principles of Chemical Kinetics provides a clear and logical description of chemical kinetics in a manner unlike any other book of its kind. Clearly written with detailed derivations, the text allows students to move rapidly from theoretical concepts of rates of reaction to concrete applications. Unlike other texts, House presents a balanced treatment of kinetic reactions in gas, solution, and solid states. The entire text has been revised and includes many new sections and an additional chapter on applications of kinetics. The topics covered include quantitative rela

  18. Liquefaction chemistry and kinetics: Hydrogen utilization studies

    Energy Technology Data Exchange (ETDEWEB)

    Rothenberger, K.S.; Warzinski, R.P.; Cugini, A.V. [Pittsburgh Energy Technology Center, PA (United States)] [and others

    1995-12-31

    The objectives of this project are to investigate the chemistry and kinetics that occur in the initial stages of coal liquefaction and to determine the effects of hydrogen pressure, catalyst activity, and solvent type on the quantity and quality of the products produced. The project comprises three tasks: (1) preconversion chemistry and kinetics, (2) hydrogen utilization studies, and (3) assessment of kinetic models for liquefaction. The hydrogen utilization studies work will be the main topic of this report. However, the other tasks are briefly described.

  19. Systematic content evaluation and review of measurement properties of questionnaires for measuring self-reported fatigue among older people.

    Science.gov (United States)

    Egerton, Thorlene; Riphagen, Ingrid I; Nygård, Arnhild J; Thingstad, Pernille; Helbostad, Jorunn L

    2015-09-01

    The assessment of fatigue in older people requires simple and user-friendly questionnaires that capture the phenomenon, yet are free from items indistinguishable from other disorders and experiences. This study aimed to evaluate the content, and systematically review and rate the measurement properties of self-report questionnaires for measuring fatigue, in order to identify the most suitable questionnaires for older people. This study firstly involved identification of questionnaires that purport to measure self-reported fatigue, and evaluation of the content using a rating scale developed for the purpose from contemporary understanding of the construct. Secondly, for the questionnaires that had acceptable content, we identified studies reporting measurement properties and rated the methodological quality of those studies according to the COSMIN system. Finally, we extracted and synthesised the results of the studies to give an overall rating for each questionnaire for each measurement property. The protocol was registered with PROSPERO (CRD42013005589). Of the 77 identified questionnaires, twelve were selected for review after content evaluation. Methodological quality varied, and there was a lack of information on measurement error and responsiveness. The PROMIS-Fatigue item bank and short forms perform the best. The FACIT-Fatigue scale, Parkinsons Fatigue Scale, Perform Questionnaire, and Uni-dimensional Fatigue Impact Scale also perform well and can be recommended. Minor modifications to improve performance are suggested. Further evaluation of unresolved measurement properties, particularly with samples including older people, is needed for all the recommended questionnaires.

  20. How ambiguous is the local kinetic energy?

    Science.gov (United States)

    Anderson, James S M; Ayers, Paul W; Hernandez, Juan I Rodriguez

    2010-08-26

    The local kinetic energy and the closely related local electronic stress tensor are commonly used to elucidate chemical bonding patterns, especially for covalent bonds. We use three different approaches-transformation properties of the stress tensor, quasiprobability distributions, and the virial theorem from density-functional theory-to clarify the inherent ambiguity in these quantities, discussing the implications for analyses based on the local kinetic energy and stress tensor. An expansive-but not universal-family of local kinetic energy forms that includes the most common choices and is suitable for both chemical-bonding and atoms-in-molecule analysis is derived. A family of local electronic stress tensors is also derived. Several local kinetic energy functions that are mathematically justified, but unlikely to be conceptually useful, are derived. The implications of these forms for atoms-in-molecule analysis are discussed.

  1. Study on Curing Kinetics and Thermal Properties of Polycarbonate Modified Epoxy Resin%聚碳酸酯改性环氧树脂的固化动力学与热性能研究

    Institute of Scientific and Technical Information of China (English)

    周红军; 尹国强; 黄东莹; 李翠金; 郭清兵

    2012-01-01

    用动态DSC法研究了聚碳酸脂(PC)改性环氧树脂(EP)体系的固化行为,采用Flynn-Wall-Ozawa法分析了EP/PC体系固化活化能与转化率的关系,利用Kissinger和Crane方程研究了EP/PC体系固化动力学参数,并用TG和DSC研究了复合体系的热性能.结果表明:PC的加入没有改变EP的固化机理,反应级数基本不变,但是降低了EP固化物的热分解温度和玻璃化转变温度.%The curing behavior of epoxy resin (EP) modified by polycarbonate (PC) was studied by means of DSC. The relationship between curing activation energy and conversion rate of the curing reaction of EP/PC system was determined by Flynn-Wall-Ozawa method. The kinetics parameters of EP/PC system was obtained by Kissinger and Crane equations. And the thermal properties of the compounding system were studied by TG and DSC. The results show that the existence of PC does not change the overall curing reaction mechanism of EP, and has no obvious effect on the order of reaction, but decreases the decomposition temperature and glass transition temperature.

  2. Estimation of key physical properties for LaCl{sub 3} in molten eutectic LiCl–KCl by fitting cyclic voltammetry data to a BET-based electrode reaction kinetics model

    Energy Technology Data Exchange (ETDEWEB)

    Samin, Adib [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W 19th Avenue, Columbus, OH 43210 (United States); Wang, Zhonghang [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, Metallurgical Engineering Department, University of Utah, Salt Lake City, UT 84112 (United States); Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, National Engineering Laboratory for Hydrometallurgical Cleaner Production Technology, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190 (China); Lahti, Erik [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W 19th Avenue, Columbus, OH 43210 (United States); Simpson, Michael [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, Metallurgical Engineering Department, University of Utah, Salt Lake City, UT 84112 (United States); Zhang, Jinsuo, E-mail: zhang.3558@osu.edu [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W 19th Avenue, Columbus, OH 43210 (United States)

    2016-07-15

    Understanding the electrochemical properties of rare earth elements is important for developing efficient techniques for separating rare earth elements from actinides recovered during the electrodeposition process. In this study the cyclic voltammetry for lanthanum in molten LiClKCl eutectic was recorded at 773 K for different scan rates and different bulk concentrations. A model accounting for mass transport, kinetics and adsorption was applied to analyze the experimental data via performing a nonlinear least squares fit. The results of the simulation are compared against the results of a conventional analysis of the cyclic voltammograms and against the existing literature. At the scan rates used, the reduction/oxidation process is quasi-reversible. The values of diffusivities derived from simulation were larger than the ones derived commonly using equations for diffusion-limited processes. However, those equations were derived based on an assumption of reversibility. This simulation-based approach may provide a more accurate option for analyzing systems that do not exhibit reversibility.

  3. Quasi-homogenous approximation for description of the properties of dispersed systems. The basic approaches to model hardening processes in nanodispersed silica systems. Part 4. The Main Approaches to Modeling the Kinetics of the Sol-Gel Transition

    Directory of Open Access Journals (Sweden)

    KUDRYAVTSEV Pavel Gennadievich

    2015-08-01

    Full Text Available The paper deals with possibilities to use quasi-homogenous approximation for description of properties of dispersed systems. The authors applied statistical polymer method based on consideration of average structures of all possible macromolecules of the same weight. The equations which allow evaluating many additive parameters of macromolecules and the systems with them were deduced. Statistical polymer method makes it possible to model branched, cross-linked macromolecules and the systems with them which are in equilibrium or non-equilibrium state. Fractal analysis of statistical polymer allows modeling different types of random fractal and other objects examined with the methods of fractal theory. The method of fractal polymer can be applied not only to polymers but also to composites, gels, associates in polar liquids and other packaged systems. There is also a description of the states of colloid solutions of silica oxide from the point of view of statistical physics. This approach is based on the idea that colloid solution of silica dioxide – sol of silica dioxide – consists of enormous number of interacting particles which are always in move. The paper is devoted to the research of ideal system of colliding but not interacting particles of sol. The analysis of behavior of silica sol was performed according to distribution Maxwell-Boltzmann and free path length was calculated. Using this data the number of the particles which can overcome the potential barrier in collision was calculated. To model kinetics of sol-gel transition different approaches were studied.

  4. Spectral-kinetic properties of heterostructures with GaAsSb/InGaAs/GaAs-based quantum wells emitting in the range of 1.0-1.2 {mu}m

    Energy Technology Data Exchange (ETDEWEB)

    Morozov, S. V., E-mail: more@ipm.sci.-nnov.ru; Kryzhkov, D. I.; Aleshkin, V. Ya. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation); Zvonkov, B. N.; Vikhrova, O. I. [Nizhni Novgorod State University, Physical-Technical Research Institute (Russian Federation)

    2013-11-15

    The spectral-kinetic properties of heterostructures with GaAs/GaAsSb-based and GaAsSb/InGaAs/GaAs-based quantum wells, emitting in the range of 1.0-1.2 {mu}m are studied with picosecond and nanosecond temporal resolution. Intense photoluminescence in the GaAsSb/InGaAs/GaAs structure, as well as an increase in the photoluminescence wavelength by a factor of 2.5 and a shift of the location of the maximum of the peak ({approx}100 meV) to the longer-wavelength region were observed up to room temperature. It is established that as the molar fraction of Sb and the thickness of the InGaAs layer increase, the energy of the fundamental transition decreases by a factor of 140 meV compared with the GaAsSb/InGaAs/GaAs structure with a lower Sb content and a smaller thickness of the InGaAs layer. At 300 K, the emission wavelength of such a structure was 1.18 {mu}m. In addition, an increase in the thickness of the InGaAs layer led to an increase in the room-temperature photoluminescence intensity by a factor of 60, which is associated with a decrease in the energy of the fundamental state for electrons in the InGaAs layer and, consequently, to larger electron localization and smaller temperature quenching of photoluminescence.

  5. Characterization of two phosphate transporters from barley; evidence for diverse function and kinetic properties among members of the Pht1 family.

    Science.gov (United States)

    Rae, Anne L; Cybinski, Daisy H; Jarmey, Janine M; Smith, Frank W

    2003-09-01

    Putative phosphate transporters have been identified in a barley (Hordeum vulgare L.) genomic library by their homology to known phosphate transporters from dicot species. The genes designated HORvu;Pht1;1 and HORvu;Pht1;6 encode proteins of 521 and 535 amino acids respectively with 12 predicted membrane-spanning domains and other motifs common to the Phtl family of phosphate transporters. HORvu;Pht1;1 is expressed exclusively in roots and is strongly induced by phosphate deprivation. HORvu;Pht1;6 is expressed in the aerial parts of the plant with strongest expression in old leaves and flag leaves. In situ hybridization showed that HORvu;Pht1;6 is expressed in the phloem of vascular bundles in leaves and ears. In order to study the biochemical properties of HORvu;Pht1;1 and HORvu;Pht1;6, the genes were expressed in transgenic rice (Oryza sativa L.) plants under the control of the rice actin promoter and suspension cell cultures were generated. Cells derived from transgenic plants were able to take up phosphate at a much higher rate than control cells, demonstrating that both genes encode functional phosphate transporters. The estimated Km for phosphate for cells expressing HORvu;Pht1;1 was 9.06 +/- 0.82 microM, which is characteristic of a high-affinity transporter. The rate of phosphate uptake decreased with increasing pH, suggesting that HORvu;Pht1;1 operates as a H+/H2PO4(-) symporter. In contrast, the estimated Km for phosphate for cells expressing HORvu;Pht1;6 was 385 +/- 61 microM, which is characteristic of a low-affinity transporter. Taken together, the results suggest that HORvu;Pht1;1 functions in uptake of phosphate at the root surface, while HORvu;Pht1;6 probably functions in remobilization of stored phosphate from leaves.

  6. Kinetics and mechanism of desulfurization and denitrogenation of coal-derived liquids. Sixth quarterly report, September 21, 1976--December 20, 1976

    Energy Technology Data Exchange (ETDEWEB)

    Gates, B. C.; Katzer, J. R.; Olson, J. H.; Kwart, H.; Stiles, A. B.

    1976-12-22

    Two high-pressure flow microreactors continue to function effectively for studies of the hydrodesulfurization of dibenzothiophene, methyl-substituted dibenzothiophene and also for studies of the hydrodenitrogenation of quinoline. The hydrodesulfurization of dibenzothiophene has been examined in a flow system in a totally reproducible fashion free from catalyst deactivation for extended periods. The reaction is first-order in dibenzothiophene, and all of the reaction products except H/sub 2/S are sulfur free. A program for determining the kinetics and reaction network of methyl-substituted dibenzothiophenes was started. For example, the rate for hydrodesulfurization of 4,6-dimethyldibenzothiophene is about one-fifth the rate for dibenzothiophene. The hydrocarbon reaction products except H/sub 2/S are sulfur free; therefore, the initial point of attack is concluded to be the C-S bond. The hydrodenitrogenation of quinoline was examined further by replacing white oil with hexadecane; this substitution permits the determination of the nitrogen-free reaction products by gas chromatography. These studies show that the C-N bond is broken after at least the heterocyclic ring and preferably both rings are hydrogenated. The hydrogenolysis reactions are rate limiting for the overall process of nitrogen removal. The hydrodenitrogenation of acridine is slower than that of quinoline. The reaction network shows that the molecule must be hydrogenated before nitrogen removal occurs at a significant rate.

  7. Kinetics and mechanism of catalytic hydroprocessing of components of coal-derived liquids. Twentieth quarterly report, February 16, 1984-May 15, 1984

    Energy Technology Data Exchange (ETDEWEB)

    Gates, B.C.; Olson, J.H.; Schuit, G.C.A.; Stiles, A.B.; Petrakis, L.

    1984-06-26

    Kinetics data have been determined for the catalytic hydroprocessing of the acidic fractions of a heavy distillate of a liquid derived from Powhatan No. 5 coal. A commercial, sulfided Ni-Mo/..gamma..-Al/sub 2/O/sub 3/ catalyst was used in the experiments, carried out at 350/sup 0/C and 120 atm with the coal liquid fractions dissolved in cyclohexane. The feed and hydrotreated products were analyzed by gas chromatography/mass spectrometry. The data were analyzed with group-type methods for compound classes, and results were also obtained for some individual organooxygen compounds. Catalytic hydroprocessing leads to a large increase in the number of compounds and a shift to lower boiling ranges. The data are broadly consistent with reaction networks determined with pure compounds; the most important reactions include aromatic ring hydrogenation, hydrodeoxygenation, and hydrodemethylation. Pseudo first-order rate constants for conversion of the predominant organooxygen compounds are on the order of 10/sup -4/ L/(g of catalyst.s); the reactivity decreases in the order cyclohexylphenol > dimethylhydroxyindane > tetrahydronaphthol > phenylphenol > 1-naphthol. 12 references, 15 figures, 5 tables.

  8. A comprehensive program to develop correlations for physical properties of kraft black liquor. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Fricke, A.L.; Zaman, A.A.

    1998-05-01

    The overall objective of the program was to develop correlations to predict physical properties within requirements of engineering precision from a knowledge of pulping conditions and of kraft black liquor composition, if possible. These correlations were to include those relating thermodynamic properties to pulping conditions and liquor composition. The basic premise upon which the research was based is the premise that black liquor behaves as a polymer solution. This premise has proven to be true, and has been used successfully in developing data reduction methods and in interpreting results. A three phase effort involving pulping, analysis of liquor composition, and measurement of liquor properties was conducted.

  9. Kinetics and Product Channels in Combustion Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Hershberger, John F. [North Dakota State Univ., Fargo, ND (United States)

    2017-02-28

    We report study of the chemical kinetics and/or photochemistry of several chemical reactions of potential interest in understanding the gas phase combustion chemistry of nitrogen-containing molecules. Studies completed during the final grant period include determination of quantum yields of the photolysis of HCNO, fulminic acid, a kinetics and product channel study of the reaction of CN radicals with methyl bromide, and study of the products of the reaction of hydroxymethyl radical with nitric oxide.

  10. Oxygen equilibria and ligand binding kinetics of erythrocruorins from two burrowing polychaetes of different modes of life, Marphysa sanguinea and Diopatra cuprea

    DEFF Research Database (Denmark)

    Weber, Roy E.; Bonaventura, J.; Sullivan, B.;

    1978-01-01

    Oxygen equilibria, ligand-binding kinetics and some other physicochemical properties are reported for erythrocruorins of two intertidal polychaetes:Marphysa sanguinea, which inhabits simple, relatively stagnant burrows, andDiopatra cuprea, which inhabits impermeable, parchment-like tubes that are...

  11. Report: Audit of Extramural and Property Management at the Atlantic Ecology Division

    Science.gov (United States)

    Report #2000-P-00015, March 29, 2000. Since our 1993 audit, AED made limited progress in implementing the recommendations in our prior report to improve the management of contracts, cooperative agreements and interagency agreements.

  12. 48 CFR 1852.245-73 - Financial reporting of NASA property in the custody of contractors.

    Science.gov (United States)

    2010-10-01

    ... identification and timely reporting of errors. The objective of this validation is to ensure that information... thereof shall not be construed as a waiver of any Government right. (d) A final report shall be submitted...

  13. Technical Progress Report for "Optical and Electrical Properties of III-Nitrides and Related Materials"

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Hongxing

    2008-10-31

    Investigations have been conducted focused on the fundamental material properties of AIN and high AI-content AIGaN alloys and further developed MOCVD growth technologies for obtaining these materials with improved crystalline quality and conductivities.

  14. Watching nanoparticle kinetics in liquid

    Directory of Open Access Journals (Sweden)

    Yugang Sun

    2012-04-01

    Full Text Available Real-time monitoring of reaction kinetics involved in nanoparticle growth and transformation in liquid environments is crucial for understanding the complex chemical and physical events associated with nanophase evolution. Accordingly, in situ techniques that can “see through” liquids to probe nanomaterial variation are in high demand, as they will help us understand reaction mechanisms and design better synthetic strategies for building nanoparticles with precisely tailored properties. In this review, in situ transmission x-ray microscopy and time-resolved high-energy x-ray scattering techniques are discussed, highlight their capabilities in studying the dynamic processes of nanoparticles.

  15. Preparation for kinetic measurements on the silicates of the Yucca Mountain potential repository. [Final report], June 15, 1993--September 30, 1993

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1993-12-31

    Part 1, ``The Preparation of Clinoptilolite, Mordenite and Analcime,`` summarized progress made during the contract period on preparing Na-end member clinoptilolite, mordenite, and analcime. The objective is to use the prepared zeolites to determine rates of dissolution and precipitation in laboratory flow-through systems in both this lab to 350 C and by the geochemists at Yale University to about 80 C. Because clinoptilolite represents the most complicated phase of these three zeolites and it is most abundant at Yucca Mountain, the authors have concentrated most of their efforts on its preparation. They have collected, high-concentration natural clinoptilolite samples. A hindered settling technique that takes advantage of the relatively low specific gravity of clinoptilolite coupled with ultrasonic cleaning in deionized water has been employed. This material is now a mixed Na-K zeolite which must then be converted to the pure Na-end member composition. In Part 2, ``Draft Manuscript on the Heterogeneous Kinetics of Cristobalite,`` experiments on the rates of reactions of dissolution and precipitation of cristobalite were carried at 150--300 C. Results show that cristobalite may precipitate from hydrothermal solution if the concentration of Si(OH){sub 4} exceeds that at quartz saturation and is less than that of amorphous silica saturation and if there are cristobalite nuclei present. Such nuclei may occur where there has been devitrification of volcanic glasses, for example. Cristobalite has refused to crystallize in the absence of such nuclei. Steady state concentrations were reached experimentally after starting at 150 {degree} with initially supersaturated solutions and at 200 C starting with either supersaturated or undersaturated solutions. From the steady state conditions, equilibrium constants can be derived.

  16. First-principles studies of phase stability and the structural and dynamical properties of metal hydrides. Progress report, September 15, 1991--September 14, 1992

    Energy Technology Data Exchange (ETDEWEB)

    Chou, M.Y.

    1992-04-01

    This report discusses the following topics: calculation of the Structural Properties of Yttrium; dynamical and pairing properties of {alpha}-YH{chi}; electronic and structural properties of YH{sub 2} and YH{sub 3}; phase diagram of hydrogen on Ru(000); peierls distortion in hexagonal YH{sub 3}; and study of hydrogen in niobium and palladium.

  17. Cloud Scavenging Effects on Aerosol Radiative and Cloud-nucleating Properties - Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Ogren, John A.; Sheridan, Patrick S.; Andrews, Elisabeth

    2009-03-05

    The optical properties of aerosol particles are the controlling factors in determining direct aerosol radiative forcing. These optical properties depend on the chemical composition and size distribution of the aerosol particles, which can change due to various processes during the particles’ lifetime in the atmosphere. Over the course of this project we have studied how cloud processing of atmospheric aerosol changes the aerosol optical properties. A counterflow virtual impactor was used to separate cloud drops from interstitial aerosol and parallel aerosol systems were used to measure the optical properties of the interstitial and cloud-scavenged aerosol. Specifically, aerosol light scattering, back-scattering and absorption were measured and used to derive radiatively significant parameters such as aerosol single scattering albedo and backscatter fraction for cloud-scavenged and interstitial aerosol. This data allows us to demonstrate that the radiative properties of cloud-processed aerosol can be quite different than pre-cloud aerosol. These differences can be used to improve the parameterization of aerosol forcing in climate models.

  18. Cloud-Driven Changes in Aerosol Optical Properties - Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Ogren, John A.; Sheridan, Patrick S.; Andrews, Elisabeth

    2007-09-30

    The optical properties of aerosol particles are the controlling factors in determining direct aerosol radiative forcing. These optical properties depend on the chemical composition and size distribution of the aerosol particles, which can change due to various processes during the particles’ lifetime in the atmosphere. Over the course of this project we have studied how cloud processing of atmospheric aerosol changes the aerosol optical properties. A counterflow virtual impactor was used to separate cloud drops from interstitial aerosol and parallel aerosol systems were used to measure the optical properties of the interstitial and cloud-scavenged aerosol. Specifically, aerosol light scattering, back-scattering and absorption were measured and used to derive radiatively significant parameters such as aerosol single scattering albedo and backscatter fraction for cloud-scavenged and interstitial aerosol. This data allows us to demonstrate that the radiative properties of cloud-processed aerosol can be quite different than pre-cloud aerosol. These differences can be used to improve the parameterization of aerosol forcing in climate models.

  19. Measurement properties of self-report physical activity assessment tools in stroke: a protocol for a systematic review.

    Science.gov (United States)

    Martins, Júlia Caetano; Aguiar, Larissa Tavares; Nadeau, Sylvie; Scianni, Aline Alvim; Teixeira-Salmela, Luci Fuscaldi; Faria, Christina Danielli Coelho de Morais

    2017-02-13

    Self-report physical activity assessment tools are commonly used for the evaluation of physical activity levels in individuals with stroke. A great variety of these tools have been developed and widely used in recent years, which justify the need to examine their measurement properties and clinical utility. Therefore, the main objectives of this systematic review are to examine the measurement properties and clinical utility of self-report measures of physical activity and discuss the strengths and limitations of the identified tools. A systematic review of studies that investigated the measurement properties and/or clinical utility of self-report physical activity assessment tools in stroke will be conducted. Electronic searches will be performed in five databases: Medical Literature Analysis and Retrieval System Online (MEDLINE) (PubMed), Excerpta Medica Database (EMBASE), Physiotherapy Evidence Database (PEDro), Literatura Latino-Americana e do Caribe em Ciências da Saúde (LILACS) and Scientific Electronic Library Online (SciELO), followed by hand searches of the reference lists of the included studies. Two independent reviewers will screen all retrieve titles, abstracts, and full texts, according to the inclusion criteria and will also extract the data. A third reviewer will be referred to solve any disagreement. A descriptive summary of the included studies will contain the design, participants, as well as the characteristics, measurement properties, and clinical utility of the self-report tools. The methodological quality of the studies will be evaluated using the COnsensus-based Standards for the selection of health Measurement INstruments (COSMIN) checklist and the clinical utility of the identified tools will be assessed considering predefined criteria. This systematic review will follow the Preferred Reporting Items for Systematic Review and Meta-Analyses (PRISMA) statement. This systematic review will provide an extensive review of the measurement

  20. Measurement properties of self-report physical activity assessment tools in stroke: a protocol for a systematic review

    Science.gov (United States)

    Martins, Júlia Caetano; Aguiar, Larissa Tavares; Nadeau, Sylvie; Scianni, Aline Alvim; Teixeira-Salmela, Luci Fuscaldi; Faria, Christina Danielli Coelho de Morais

    2017-01-01

    Introduction Self-report physical activity assessment tools are commonly used for the evaluation of physical activity levels in individuals with stroke. A great variety of these tools have been developed and widely used in recent years, which justify the need to examine their measurement properties and clinical utility. Therefore, the main objectives of this systematic review are to examine the measurement properties and clinical utility of self-report measures of physical activity and discuss the strengths and limitations of the identified tools. Methods and analysis A systematic review of studies that investigated the measurement properties and/or clinical utility of self-report physical activity assessment tools in stroke will be conducted. Electronic searches will be performed in five databases: Medical Literature Analysis and Retrieval System Online (MEDLINE) (PubMed), Excerpta Medica Database (EMBASE), Physiotherapy Evidence Database (PEDro), Literatura Latino-Americana e do Caribe em Ciências da Saúde (LILACS) and Scientific Electronic Library Online (SciELO), followed by hand searches of the reference lists of the included studies. Two independent reviewers will screen all retrieve titles, abstracts, and full texts, according to the inclusion criteria and will also extract the data. A third reviewer will be referred to solve any disagreement. A descriptive summary of the included studies will contain the design, participants, as well as the characteristics, measurement properties, and clinical utility of the self-report tools. The methodological quality of the studies will be evaluated using the COnsensus-based Standards for the selection of health Measurement INstruments (COSMIN) checklist and the clinical utility of the identified tools will be assessed considering predefined criteria. This systematic review will follow the Preferred Reporting Items for Systematic Review and Meta-Analyses (PRISMA) statement. Discussion This systematic review will

  1. Core Physics and Kinetics Calculations for the Fissioning Plasma Core Reactor

    Science.gov (United States)

    Butler, C.; Albright, D.

    2007-01-01

    Highly efficient, compact nuclear reactors would provide high specific impulse spacecraft propulsion. This analysis and numerical simulation effort has focused on the technical feasibility issues related to the nuclear design characteristics of a novel reactor design. The Fissioning Plasma Core Reactor (FPCR) is a shockwave-driven gaseous-core nuclear reactor, which uses Magneto Hydrodynamic effects to generate electric power to be used for propulsion. The nuclear design of the system depends on two major calculations: core physics calculations and kinetics calculations. Presently, core physics calculations have concentrated on the use of the MCNP4C code. However, initial results from other codes such as COMBINE/VENTURE and SCALE4a. are also shown. Several significant modifications were made to the ISR-developed QCALC1 kinetics analysis code. These modifications include testing the state of the core materials, an improvement to the calculation of the material properties of the core, the addition of an adiabatic core temperature model and improvement of the first order reactivity correction model. The accuracy of these modifications has been verified, and the accuracy of the point-core kinetics model used by the QCALC1 code has also been validated. Previously calculated kinetics results for the FPCR were described in the ISR report, "QCALC1: A code for FPCR Kinetics Model Feasibility Analysis" dated June 1, 2002.

  2. Thermophysical properties. Progress report, 1 January 1992--31 March 1993

    Energy Technology Data Exchange (ETDEWEB)

    Kayser, R.F.

    1993-04-01

    Numerous fluids have been identified as promising alternative refrigerants, but much of the information needed to predict their behavior as pure fluids and as components in mixtures does not exist. In particular, reliable thermophysical properties data and models are needed to predict the performance of the new refrigerants in heating and cooling equipment and to design and optimize equipment to be reliable and energy efficient. The objective of this fifteen-month project has been to provide highly accurate, selected thermophysical properties data for Refrigerants 32, 123, 124, and 125, and to use these data to fit equations of state and transport property models. The new data have filled gaps in the existing data sets and resolved problems and uncertainties that existed in and between the data sets.

  3. An experimental and theoretical study to relate uncommon rock/fluid properties to oil recovery. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Watson, R.

    1995-07-01

    Waterflooding is the most commonly used secondary oil recovery technique. One of the requirements for understanding waterflood performance is a good knowledge of the basic properties of the reservoir rocks. This study is aimed at correlating rock-pore characteristics to oil recovery from various reservoir rock types and incorporating these properties into empirical models for Predicting oil recovery. For that reason, this report deals with the analyses and interpretation of experimental data collected from core floods and correlated against measurements of absolute permeability, porosity. wettability index, mercury porosimetry properties and irreducible water saturation. The results of the radial-core the radial-core and linear-core flow investigations and the other associated experimental analyses are presented and incorporated into empirical models to improve the predictions of oil recovery resulting from waterflooding, for sandstone and limestone reservoirs. For the radial-core case, the standardized regression model selected, based on a subset of the variables, predicted oil recovery by waterflooding with a standard deviation of 7%. For the linear-core case, separate models are developed using common, uncommon and combination of both types of rock properties. It was observed that residual oil saturation and oil recovery are better predicted with the inclusion of both common and uncommon rock/fluid properties into the predictive models.

  4. An experimental and theoretical study to relate uncommon rock/fluid properties to oil recovery. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Watson, R.

    1995-07-01

    Waterflooding is the most commonly used secondary oil recovery technique. One of the requirements for understanding waterflood performance is a good knowledge of the basic properties of the reservoir rocks. This study is aimed at correlating rock-pore characteristics to oil recovery from various reservoir rock types and incorporating these properties into empirical models for Predicting oil recovery. For that reason, this report deals with the analyses and interpretation of experimental data collected from core floods and correlated against measurements of absolute permeability, porosity. wettability index, mercury porosimetry properties and irreducible water saturation. The results of the radial-core the radial-core and linear-core flow investigations and the other associated experimental analyses are presented and incorporated into empirical models to improve the predictions of oil recovery resulting from waterflooding, for sandstone and limestone reservoirs. For the radial-core case, the standardized regression model selected, based on a subset of the variables, predicted oil recovery by waterflooding with a standard deviation of 7%. For the linear-core case, separate models are developed using common, uncommon and combination of both types of rock properties. It was observed that residual oil saturation and oil recovery are better predicted with the inclusion of both common and uncommon rock/fluid properties into the predictive models.

  5. Effects of fractal surface on rheological behavior and combustion kinetics of modified brown coal water slurries

    Institute of Scientific and Technical Information of China (English)

    Zhifang Gao; Shuquan Zhu; Mingdong Zheng; Zhaojin Wu; Huihong Lu; Weiming Liu

    2015-01-01

    The paper reports the effects of surface fractal structures on the rheological behavior and combustion kinetics of raw brown coal and three modified coal water slurries (CWSs). The results show that the fractal structures and physicochemical properties of samples are dependent on various modification processes. The apparent viscosities of the coal water slurries increase with increasing surface fractal dimensions (D), especially with decreasing shear rates. Fur-thermore, it has been proved that the ignition temperatures and apparent activation energies of modified CWSs are lower than that of raw coal water slurry. Compared with the traditional qualitative analysis of the effect of pore structures on CWSs properties, D can more efficiently indicate the quantificational effect of pore structures on the rheological behavior and combustion kinetics of CWSs.

  6. Clearing up the kinetics in high temperature fuel cells SOFC. Final report; Aufklaerung der Kinetik in Hochtemperatur-Brennstoffzellen SOFC. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Stimming, U.

    1997-05-12

    In this work, the kinetics of the oxygen reduction of the SOFC cathode are to be detailed, i.e., depending on the parameters of electrode potential, temperature and oxygen partial pressure, they are to be examined with impedance spectroscopy and quasi-stationary current/voltage measurements. From the dependence of the impedances and the current density on the temperature and the oxygen partial pressure, apparent activation energies and pre-exponential factors as well as apparent reaction orders are to be determined, in order to obtain information on possible reaction mechanisms. These investigations should be carried out not only on standard cathode material (La{sub 1-x}Sr{sub x}MnO{sub 3}, LSM) but also on modified LSM cathodes. This modification should consist either of the addition of noble metal catalysts or in a change of the composition of the cathode material, and should lead to increased catalytic activity of the cathode. In addition, using the example of the standard cathode, different possible reaction mechanisms should be compared by a computer simulation of the current/voltage measurements and impedance spectra. (orig.) [Deutsch] In dieser Arbeit soll die Kinetik der Sauerstoffreduktion an der SOFC Kathode detailliert, d.h. in Abhaengigkeit der Parameter Elektrodenpotential, Temperatur und Sauerstoffpartialdruck mit Impedanzspektroskopie und quasi-stationaeren Strom/Spannungsmessungen untersucht werden. Aus den Abhaengigkeiten der Impedanzen und der Stromdichte von der Temperatur und vom Sauerstoffpartialdruck sollen scheinbare Aktivierungsenergien und prae-exponentielle Faktoren sowie scheinbare Reaktionsordnungen bestimmt werden, um Hinweise auf moegliche Reaktionsmechanismen zu erhalten. Diese Untersuchungen sollen nicht nur am Standardkathodenmaterial (La{sub 1-x}Sr{sub x}MnO{sub 3}, LSM), sondern auch an modifizierten LSM-Kathoden durchgefuehrt werden. Diese Modifizierung soll entweder im Zusatz von Edelmetallkatalysatoren oder in einer Aenderung

  7. Mechanisms and kinetics of coal hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Baldwin, R M; Furlong, M W

    1981-05-01

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

  8. Contamination limits for real and personal property. Progress report, January--June 1976. [Plutonium in soils

    Energy Technology Data Exchange (ETDEWEB)

    Healy, J.W.; Wenzel, W.J.

    1976-09-01

    Progress is reported on the plutonium in soils limit and on the surface contamination study. The report on the soils limit is being typed in draft form for review at other ERDA facilities. A model for surface contamination was derived and programmed but parametric studies have not yet been done.

  9. Do Property-Tax Caps Work? Lessons for New Jersey from Massachusetts. Civic Report No. 62

    Science.gov (United States)

    Barro, Josh

    2010-01-01

    New Jersey is considering a tax reform called "Cap 2.5," under which a municipality's tax levy on existing property could not grow more than 2.5 percent in any year, unless its voters pass a referendum allowing a greater increase. This reform is similar to Massachusetts's Proposition 2.5, which that state adopted in 1980. New Jersey lawmakers may…

  10. Psychometric Properties of the "Reminiscence Functions Scale" for the Portuguese Population: A Preliminary Report

    Science.gov (United States)

    Goncalves, Daniela C.; Guedes, Joana Martins; Fonseca, Antonio M.; Martin, Inacio

    2010-01-01

    The aim of the present study was to assess the psychometric properties of a version in Portuguese of the "Reminiscence Functions Scale." Total sample was composed of 628 participants aged between 18 and 92 years, divided into three groups according to their age (18-24 years, "n" = 249; 26-54 years, "n" = 174; 55 and…

  11. Uptake kinetics and biodistribution of C-14-D-luciferin-a radiolabeled substrate for the firefly luciferase catalyzed bioluminescence reaction : impact on bioluminescence based reporter gene imaging

    NARCIS (Netherlands)

    Berger, Frank; Paulmurugan, Ramasamy; Bhaumik, Srabani; Gambhir, Sanjiv Sam

    2008-01-01

    Purpose Firefly luciferase catalyzes the oxidative decarboxylation of D-luciferin to oxyluciferin in the presence of cofactors, producing bioluminescence. This reaction is used in optical bioluminescence-based molecular imaging approaches to detect the expression of the firefly luciferase reporter g

  12. Quantifying hydrate formation and kinetic inhibition

    Energy Technology Data Exchange (ETDEWEB)

    Sloan, E.D.; Subramanian, S.; Matthews, P.N.; Lederhos, J.P.; Khokhar, A.A. [Colorado School of Mines, Golden, CO (United States). Center for Hydrate Research

    1998-08-01

    In the Prausnitz tradition, molecular and macroscopic evidence of hydrate formation and kinetic inhibition is presented. On the microscopic level, the first Raman spectra are presented for the formation of both uninhibited and inhibited methane hydrates with time. This method has the potential to provide a microscopic-based kinetics model. Three macroscopic aspects of natural gas hydrate kinetic inhibition are also reported: (1) The effect of hydrate dissociation residual structures was measured, which has application in decreasing the time required for subsequent formation. (2) The performance of a kinetic inhibitor (poly(N-vinylcaprolactam) or PVCap) was measured and correlated as a function of PVCap molecular weight and concentrations of PVCap, methanol, and salt in the aqueous phase. (3) Long-duration test results indicated that the use of PVCap can prevent pipeline blockage for a time exceeding the aqueous phase residence time in some gas pipelines.

  13. Irreversible processes kinetic theory

    CERN Document Server

    Brush, Stephen G

    2013-01-01

    Kinetic Theory, Volume 2: Irreversible Processes deals with the kinetic theory of gases and the irreversible processes they undergo. It includes the two papers by James Clerk Maxwell and Ludwig Boltzmann in which the basic equations for transport processes in gases are formulated, together with the first derivation of Boltzmann's ""H-theorem"" and a discussion of this theorem, along with the problem of irreversibility.Comprised of 10 chapters, this volume begins with an introduction to the fundamental nature of heat and of gases, along with Boltzmann's work on the kinetic theory of gases and s

  14. 二烯丙基双酚A改性氰酸酯树脂的固化动力学及力学性能%Curing Kinetics and Mechanical Properties of Cyanate Ester Resin Modified by Diallyl Bisphenol A

    Institute of Scientific and Technical Information of China (English)

    赵春宝; 汪信; 杨绪杰; 张楠楠

    2012-01-01

    Cyanate ester(CE) resin was modified by diallyl bisphenol A(DBA). The curing kinetic parameters of the modified CE resin were calculated by Flynn-Wall-Ozawa iso-conversional method and Kissinger equation respectively. The mechanical and dynamic mechanical properties of the cured resin were studied. The results show that DBA can catalyze the curing reaction and toughen the cured resin effectively. The activation energy of the CE resin modified by 5% DBA is the minimum (62.16 kJ/mol). The impact strength of the cured CE resin modified by 10% DBA is 2.07 times of that of pure CE resin. The storage modulus and glass transition temperature of the cured CE resin containing DBA both decrease.%采用二烯丙基双酚A(DBA)对氰酸酯树脂(CE)进行改性,分别运用Flynn-Wall-Ozawa等转化率法和Kissinger极值法计算了改性树脂体系的固化动力学参数,并对固化树脂的力学性能和动态力学性能进行了研究.结果表明:DBA对氰酸酯树脂具有明显的催化作用和增韧效果,含5%DBA的改性树脂固化反应活化能最小(62.16kJ/mol),当DBA的加入量为10%时,树脂固化物的冲击强度达到纯氰酸酯树脂的2.07倍,含有DBA的CE树脂固化物的储能模量和玻璃化转变温度均有所降低.

  15. 聚醚胺/环氧树脂固化体系的动力学研究及性能%Study of Curing Reaction Kinetic and Properties of the Polyether Amines with Epoxy Resin

    Institute of Scientific and Technical Information of China (English)

    王海艳; 陈群; 孙富安; 何明阳

    2011-01-01

    以聚醚胺类化合物作为环氧树脂的固化剂,得到的固化体系相对脂肪胺及简单二胺为固化剂的固化体系具有良好的弯曲强度和抗冲击性能.并采用DSC测试方法研究了环氧树脂与聚醚胺的固化进程动力学参数,由Kissinger方程得出固化反应的活化能E为51.91kJ/mol,频率因子A为3.214×106s-1,由Crane方程得出固化反应级数n=0.887 9,并得到固化反应的动力学方程,-dα/dt=k(1-α)0.887 9,其中k=3.214×106exp(-6 243.7/T).%Epoxy resin were cured with polyether amines and simple diamines and aliphatic amines. The results indicated that the bending modulus and the impact toughness of the former were higher. The curing process kinetics and material properties of epoxy resin and polyether amines were studied by DSC. The energy of activation (E) was 51. 91kJ/mol and frequency factor (A) was 3. 214×108s-1 via the Kissinger method. According to Crane theory the reaction order (n = 0. 887 9) was calculated. Dynamic e-quation of curing reaction was found to be - da/dt = k (1 - a) 0.887 9, which k = 3. 214 × 108exp ( - 6 243. 7/T).

  16. Thermophysical properties of coal liquids. Final report. [300 to 600 K

    Energy Technology Data Exchange (ETDEWEB)

    Droege, J. W.; Stickford, G. H.; Longanbach, J. R.; Venkateswar, R.; Chauhan, S. P.

    1982-04-23

    Thermophysical properties for coal-solvent slurries were determined in the range 300 to 600 K, in some cases extending to 700 K. Density, viscosity, thermal conductivity, and enthalpy were determined. A recycle solvent from the Wilsonville SRC-I plant and a KY-9 coal were used. Rheology was studied with a reciprocating cylinder viscometer designed to operate at elevated pressure and temperature. Viscous properties were found to follow the Bingham plastic model. A high-viscosity peak in the range 500 to 600 K was characterized by very high values of yield stress. At other temperatures the slurries were nearly Newtonian. Time and temperature dependence of viscous behavior were studied. Densities were determined by high temperature pyknometer, thermal conductivities by the transient line-source technique, and enthalpies by drop calorimeter and by pressure DSC.

  17. Understanding the Effect of Aerosol Properties on Cloud Droplet Formation during TCAP Field Campaign Report

    Energy Technology Data Exchange (ETDEWEB)

    Cziczo, Daniel [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2016-05-01

    The formation of clouds is an essential element in understanding the Earth’s radiative budget. Liquid water clouds form when the relative humidity exceeds saturation and condensedphase water nucleates on atmospheric particulate matter. The effect of aerosol properties such as size, morphology, and composition on cloud droplet formation has been studied theoretically as well as in the laboratory and field. Almost without exception these studies have been limited to parallel measurements of aerosol properties and cloud formation or collection of material after the cloud has formed, at which point nucleation information has been lost. Studies of this sort are adequate when a large fraction of the aerosol activates, but correlations and resulting model parameterizations are much more uncertain at lower supersaturations and activated fractions.

  18. Kinetic equations: computation

    CERN Document Server

    Pareschi, Lorenzo

    2013-01-01

    Kinetic equations bridge the gap between a microscopic description and a macroscopic description of the physical reality. Due to the high dimensionality the construction of numerical methods represents a challenge and requires a careful balance between accuracy and computational complexity.

  19. Thermal kinetic inductance detector

    Energy Technology Data Exchange (ETDEWEB)

    Cecil, Thomas; Gades, Lisa; Miceli, Antonio; Quaranta, Orlando

    2016-12-20

    A microcalorimeter for radiation detection that uses superconducting kinetic inductance resonators as the thermometers. The detector is frequency-multiplexed which enables detector systems with a large number of pixels.

  20. Sizing up: property rights and fisheries management. A collection of articles from SAMUDRA Report

    OpenAIRE

    2007-01-01

    As the world's fisheries continue to come under scrutiny for their potential to be depleted of resources due to various pressures, including overfishing, modern fisheries management has focused on allocation of fishing rights as one prescription for sustainable fisheries management. Solutions based on such a perspective have often pivoted around the gamut of property rights, and how to control the social arrangements that govern the ownership, use and disposal of factors of production and goo...

  1. RF/microwave properties of nanotubes and nanowires : LDRD Project 105876 final report.

    Energy Technology Data Exchange (ETDEWEB)

    Scrymgeour, David; Lee, Mark; Hsu, Julia W. P.; Highstrete, Clark

    2009-09-01

    LDRD Project 105876 was a research project whose primary goal was to discover the currently unknown science underlying the basic linear and nonlinear electrodynamic response of nanotubes and nanowires in a manner that will support future efforts aimed at converting forefront nanoscience into innovative new high-frequency nanodevices. The project involved experimental and theoretical efforts to discover and understand high frequency (MHz through tens of GHz) electrodynamic response properties of nanomaterials, emphasizing nanowires of silicon, zinc oxide, and carbon nanotubes. While there is much research on DC electrical properties of nanowires, electrodynamic characteristics still represent a major new frontier in nanotechnology. We generated world-leading insight into how the low dimensionality of these nanomaterials yields sometimes desirable and sometimes problematic high-frequency properties that are outside standard model electron dynamics. In the cases of silicon nanowires and carbon nanotubes, evidence of strong disorder or glass-like charge dynamics was measured, indicating that these materials still suffer from serious inhomogeneities that limit there high frequency performance. Zinc oxide nanowires were found to obey conventional Drude dynamics. In all cases, a significant practical problem involving large impedance mismatch between the high intrinsic impedance of all nanowires and nanotubes and high-frequency test equipment had to be overcome.

  2. Final progress report for linking ion solvation and lithium battery electrolyte properties

    Energy Technology Data Exchange (ETDEWEB)

    Henderson, Wesley [North Carolina State Univ., Raleigh, NC (United States)

    2014-08-29

    The research objective of this proposal was to provide a detailed analysis of how solvent and anion structure govern the solvation state of Li+ cations in solvent-LiX mixtures and how this, in turn, dictates the electrolyte physicochemical and electrochemical properties which govern (in part) battery performance. Lithium battery electrolytes remain a poorly understood and hardly studied topic relative to the research devoted to battery electrodes. This is due to the fact that it is the electrodes which determine the energy (capacity) of the battery. The electrolyte, however, plays a crucial role in the practical energy density, power, low and/or high temperature performance, lifetime, safety, etc. which is achievable. The development within this project of a "looking glass" into the molecular interactions (i.e., solution structure) in bulk electrolytes through a synergistic experimental approach involving three research thrusts complements work by other researchers to optimize multi-solvent electrolytes and efforts to understand/control the electrode-electrolyte interfaces, thereby enabling the rational design of electrolytes for a wide variety of battery chemistries and applications (electrolytes-on-demand). The three research thrusts pursued include: (1) conduction of an in-depth analysis of the thermal phase behavior of diverse solvent-LiX mixtures, (2) exploration of the ionic association/solvate formation behavior of select LiX salts with a wide variety of solvents, and (3) linking structure to properties-determination of electrolyte physicochemical and electrochemical properties for comparison with the ionic association and phase behavior.

  3. Electrochemical kinetics theoretical aspects

    CERN Document Server

    Vetter, Klaus J

    1967-01-01

    Electrochemical Kinetics: Theoretical Aspects focuses on the processes, methodologies, reactions, and transformations in electrochemical kinetics. The book first offers information on electrochemical thermodynamics and the theory of overvoltage. Topics include equilibrium potentials, concepts and definitions, electrical double layer and electrocapillarity, and charge-transfer, diffusion, and reaction overvoltage. Crystallization overvoltage, total overvoltage, and resistance polarization are also discussed. The text then examines the methods of determining electrochemical reaction mechanisms

  4. The coke drum thermal kinetic effects

    Energy Technology Data Exchange (ETDEWEB)

    Aldescu, Maria M.; Romero, Sim; Larson, Mel [KBC Advanced Technologies plc, Surrey (United Kingdom)

    2012-07-01

    The coke drum thermal kinetic dynamics fundamentally affect the coker unit yields as well as the coke product properties and unit reliability. In the drum the thermal cracking and polymerization or condensation reactions take place in a semi-batch environment. Understanding the fundamentals of the foaming kinetics that occur in the coke drums is key to avoiding a foam-over that could result in a unit shutdown for several months. Although the most dynamic changes with time occur during drum filling, other dynamics of the coker process will be discussed as well. KBC has contributed towards uncovering and modelling the complexities of heavy oil thermal dynamics. (author)

  5. Kinetic models with randomly perturbed binary collisions

    CERN Document Server

    Bassetti, Federico; Toscani, Giuseppe

    2010-01-01

    We introduce a class of Kac-like kinetic equations on the real line, with general random collisional rules, which include as particular cases models for wealth redistribution in an agent-based market or models for granular gases with a background heat bath. Conditions on these collisional rules which guarantee both the existence and uniqueness of equilibrium profiles and their main properties are found. We show that the characterization of these stationary solutions is of independent interest, since the same profiles are shown to be solutions of different evolution problems, both in the econophysics context and in the kinetic theory of rarefied gases.

  6. The Einstein-Vlasov System/Kinetic Theory

    Directory of Open Access Journals (Sweden)

    Håkan Andréasson

    2011-05-01

    Full Text Available The main purpose of this article is to provide a guide to theorems on global properties of solutions to the Einstein-Vlasov system. This system couples Einstein’s equations to a kinetic matter model. Kinetic theory has been an important field of research during several decades in which the main focus has been on non-relativistic and special relativistic physics, i.e., to model the dynamics of neutral gases, plasmas, and Newtonian self-gravitating systems. In 1990, Rendall and Rein initiated a mathematical study of the Einstein-Vlasov system. Since then many theorems on global properties of solutions to this system have been established. This paper gives introductions to kinetic theory in non-curved spacetimes and then the Einstein–Vlasov system is introduced. We believe that a good understanding of kinetic theory in non-curved spacetimes is fundamental to a good comprehension of kinetic theory in general relativity.

  7. A systematic review of the psychometric properties of self-report research utilization measures used in healthcare

    Directory of Open Access Journals (Sweden)

    Squires Janet E

    2011-07-01

    Full Text Available Abstract Background In healthcare, a gap exists between what is known from research and what is practiced. Understanding this gap depends upon our ability to robustly measure research utilization. Objectives The objectives of this systematic review were: to identify self-report measures of research utilization used in healthcare, and to assess the psychometric properties (acceptability, reliability, and validity of these measures. Methods We conducted a systematic review of literature reporting use or development of self-report research utilization measures. Our search included: multiple databases, ancestry searches, and a hand search. Acceptability was assessed by examining time to complete the measure and missing data rates. Our approach to reliability and validity assessment followed that outlined in the Standards for Educational and Psychological Testing. Results Of 42,770 titles screened, 97 original studies (108 articles were included in this review. The 97 studies reported on the use or development of 60 unique self-report research utilization measures. Seven of the measures were assessed in more than one study. Study samples consisted of healthcare providers (92 studies and healthcare decision makers (5 studies. No studies reported data on acceptability of the measures. Reliability was reported in 32 (33% of the studies, representing 13 of the 60 measures. Internal consistency (Cronbach's Alpha reliability was reported in 31 studies; values exceeded 0.70 in 29 studies. Test-retest reliability was reported in 3 studies with Pearson's r coefficients > 0.80. No validity information was reported for 12 of the 60 measures. The remaining 48 measures were classified into a three-level validity hierarchy according to the number of validity sources reported in 50% or more of the studies using the measure. Level one measures (n = 6 reported evidence from any three (out of four possible Standards validity sources (which, in the case of single item

  8. Freezing Kinetics in Overcompressed Water

    Energy Technology Data Exchange (ETDEWEB)

    Bastea, M; Bastea, S; Reaugh, J; Reisman, D

    2006-09-27

    We report high pressure dynamic compression experiments of liquid water along a quasi-adiabatic path leading to the formation of ice VII. We observe dynamic features resembling Van der Waals loops and find that liquid water is compacted to a metastable state close to the ice density before the onset of crystallization. By analyzing the characteristic kinetic time scale involved we estimate the nucleation barrier and conclude that liquid water has been compressed to a high pressure state close to its thermodynamic stability limit.

  9. Psychometric properties of the Arabic self-report version of the strengths and difficulties questionnaire.

    Science.gov (United States)

    Emam, Mahmoud Mohamed; Abu Hilal, Maher M; Kazem, Ali Mahdi; Alkharousi, Suad Juma

    2016-12-01

    Students in middle school tend to display emotional and behavioural difficulties (EBDs) compared to other forms of psychopathology. Early identification of EBDs is therefore a priority in order to prevent the chronic co-morbidity with other forms of psychopathology which may affect students' academic achievement. Assessment of EBDs has been traditionally undertaken via proxy reporting; but psychometrically rigorous instruments are needed so that children and adolescents can report on their own emotions and behaviours. Such need increases in the Omani context given the lack of EBDs adequate assessment instruments. In the current study the factor structure of the Arabic self-report version of the Strengths and Difficulties Questionnaire (A-SDQ) was examined in a sample of 815 middle school students (mean age=14 years). The study tested the SDQ original five-factor model which received considerable empirical support. Responses on the A-SDQ were compared to responses obtained via proxy reports from teachers and parents through confirmatory factor analyses (CFAs). Results showed a reasonable fit for the three informant forms. Nevertheless, there were differences in item loadings across the three informant forms. Additionally, participants' self-report responses were tested for invariance across gender. CFAs provided support to the invariance hypothesis for item loadings, indicating that the items were similarly valid indices of the five factors for males and females. Factor correlations, factor variances and item residuals were not invariant across gender.

  10. Microtubule dynamics. II. Kinetics of self-assembly

    DEFF Research Database (Denmark)

    Flyvbjerg, H.; Jobs, E.

    1997-01-01

    Inverse scattering theory describes the conditions necessary and sufficient to determine an unknown potential from known scattering data. No similar theory exists for when and how one may deduce the kinetics of an unknown chemical reaction from quantitative information about its final state and its...... various initial concentrations of monomers. Distinct mathematical properties of the kinetics of the unknown reaction pathway are found. These properties are shown to restrict the kinetics to a single model that generalizes Oosawa's classical nucleation-polymerization model. The methods used here...

  11. The D3cpv Cameleon reports Ca²⁺ dynamics in plant mitochondria with similar kinetics of the YC3.6 Cameleon, but with a lower sensitivity.

    Science.gov (United States)

    Loro, G; Ruberti, C; Zottini, M; Costa, A

    2013-01-01

    Mitochondria are key organelles involved in many aspects of plant physiology and, their ability to generate specific Ca²⁺ signatures in response to abiotic and biotic stimuli has been reported as one of their roles. The recent identification of the mammalian mitochondrial Ca²⁺ uniporter opens a new research area in plant biology. To study the mitochondrial Ca²⁺ handling, it is essential to have a reliable probe. Here we have reported the generation of an Arabidopsis transgenic line expressing the genetically encoded probe Cameleon D3cpv targeted to mitochondria, and compared its properties with the already known Cameleon YC3.6.

  12. Properties of artificial neurons that report lightness based on accumulated experience with luminance.

    Science.gov (United States)

    Morgenstern, Yaniv; Rukmini, Dhara V; Monson, Brian B; Purves, Dale

    2014-01-01

    The responses of visual neurons in experimental animals have been extensively characterized. To ask whether these responses are consistent with a wholly empirical concept of visual perception, we optimized simple neural networks that responded according to the cumulative frequency of occurrence of local luminance patterns in retinal images. Based on this estimation of accumulated experience, the neuron responses showed classical center-surround receptive fields, luminance gain control and contrast gain control, the key properties of early level visual neurons determined in animal experiments. These results imply that a major purpose of pre-cortical neuronal circuitry is to contend with the inherently uncertain significance of luminance values in natural stimuli.

  13. Final report: Properties of mixtures near a phase transition. February 1, 1992 - January 31, 1996

    Energy Technology Data Exchange (ETDEWEB)

    H.J.M. Hanley; D.G. Friend

    1999-11-01

    This project emphasized the study of systems near phase transitions, and included scattering experiments, computer simulation, and theory of phase transitions. The scattering involved the use of neutrons as well as optical techniques, involved both equilibrium and sheared samples, and included conventional fluids as well as gels, micelles, colloids, and dispersions. Computer simulations and theoretical studies were completed to complement and interpret the microscopic information learned from scattering, and many successes were achieved in furthering our understanding of complex mixtures near the critical locus. The research has led to a number of technical publications and a refinement of our knowledge of phase transition phenomena which has led to improvements in available property databases.

  14. Laser kinetic spectroscopic studies of (a) the unimolecular reactions of nitroalkanes and, (b) elementary reactions important in combustion. Annual progress report 1 Jan-31 Aug 81

    Energy Technology Data Exchange (ETDEWEB)

    Estler, R.C.; Reisler, H.; Wittig, C.

    1981-08-31

    The multiphoton ionization (MPI) of NO is used to probe the dynamics of the photodissociation of NO2 in a one-color experiment. The resulting MPI spectra clearly indicate the high internal rotational energy in the NO fragment. MPI shows promise as a highly-sensitive, information-rich diagnostic for internal state determinations of nitric oxide. We report that the 300 K reaction of C2H with O2 has as one of its product channels CH + CO2. By monitoring time resolved CH chemiluminescence following laser photolysis production of C2H in the presence of O2, we have measured rate coefficients for reactions of C2H with O2, H2, and CH4.

  15. Effect of Acid & Heat-moisture Treatment on Properties and Enzymatic Kinetics of Wheat Flour%酸湿热处理小麦面粉的性质及酶解动力学研究

    Institute of Scientific and Technical Information of China (English)

    黄立新; 张欣欣; 吴小员; 郭峰

    2013-01-01

    Wheat flour was modified by acid and heat-moisture treatment in thermal water kettle.Polarization microscope,scanning electron micrograph,differential scanning calorimetry (DSC) instrument,Brabender viscosity instrument,X-ray diffraction (XRD),infrared spectrometer were used to study the properties enzymatic kinetics of wheat flour before and after the treatment.It was found that,after modification,the protein content was reduced and part of starch granules had shallow crack.Polarization cross was blurring.DSC showed endothermic peak moved backward and absorption enthalpy (ΔH) decreased 2.976 J/g.Brabender viscosity curve indicated that pasting temperature increased from 82.6 ℃ to 87 ℃ and viscosity decreased from 82 BU to 63 BU.XRD showed crystalline structure of starch increased 3.8%.Under in vitro digestion conditions,α-Amylase hydrolyzation of treatment product followed Michaelis-Menten,and enzymatic kinetic equation of product with α-Amylase was obtained as V=0.161[S]/(1.093+[S]).Compared with that without modification,Michealis constant (Km) and maximum rate (Vm) decreased.%本文采用水热反应釜酸湿热处理小麦面粉,分析了小麦面粉处理前后基本成分变化、显微形貌、热力学性质、糊粘度曲线、结晶性质、红外图谱和酶解动力学方程.研究表明,经过酸湿热处理后的作用产物,蛋白质含量减少,部分颗粒出现浅层裂痕,偏光十字模糊;差示扫描量热分析显示,处理产物与原面粉相比吸热峰后移,吸热焓ΔH降低了2.976 J/g;布拉班德粘度曲线表明,产物的起糊温度由82.6℃增加到87℃,峰值粘度由82 BU降到63 BU;X射线衍射分析显示产物结晶度增大3.8%;红外图谱变化不大.酶解动力学研究发现,在模拟体外消化条件下,a-淀粉酶对小麦面粉处理前后样品的降解遵循Michaelis-Menten规律,产物的a-淀粉酶酶解动力学方程为V=0.161[S]/(1.093+ [S]),与处理前比,米氏常数Km及最大反应速率Vm均降低.

  16. Handbook of LHC Higgs Cross Sections: 3. Higgs Properties Report of the LHC Higgs Cross Section Working Group

    CERN Document Server

    Heinemeyer, S; Passarino, G; Tanaka, R; Andersen, J R; Artoisenet, P; Bagnaschi, E A; Banfi, A; Becher, T; Bernlochner, F U; Bolognesi, S; Bolzoni, P; Boughezal, R; Buarque, D; Campbell, J; Caola, F; Carena, M; Cascioli, F; Chanon, N; Cheng, T; Choi, S Y; David, A; de Aquino, P; Degrassi, G; Del Re, D; Denner, A; van Deurzen, H; Diglio, S; Di Micco, B; Di Nardo, R; Dittmaier, S; Dührssen, M; Ellis, R K; Ferrera, G; Fidanza, N; Flechl, M; de Florian, D; Forte, S; Frederix, R; Frixione, S; Gangal, S; Gao, Y; Garzelli, M V; Gillberg, D; Govoni, P; Grazzini, M; Greiner, N; Griffiths, J; Gritsan, A V; Grojean, C; Hall, D C; Hays, C; Harlander, R; Hernandez-Pinto, R; Höche, S; Huston, J; Jubb, T; Kadastik, M; Kallweit, S; Kardos, A; Kashif, L; Kauer, N; Kim, H; Klees, R; Krämer, M; Krauss, F; Laureys, A; Laurila, S; Lehti, S; Li, Q; Liebler, S; Liu, X; Logan, E; Luisoni, G; Malberti, M; Maltoni, F; Mawatari, K; Maierhoefer, F; Mantler, H; Martin, S; Mastrolia, P; Mattelaer, O; Mazzitelli, J; Mellado, B; Melnikov, K; Meridiani, P; Miller, D J; Mirabella, E; Moch, S O; Monni, P; Moretti, N; Mück, A; Mühlleitner, M; Musella, P; Nason, P; Neu, C; Neubert, M; Oleari, C; Olsen, J; Ossola, G; Peraro, T; Peters, K; Petriello, F; Piacquadio, G; Potter, C T; Pozzorini, S; Prokofiev, K; Puljak, I; Rauch, M; Rebuzzi, D; Reina, L; Rietkerk, R; Rizzi, A; Rotstein-Habarnau, Y; Salam, G P; Sborlini, G; Schissler, F; Schönherr, M; Schulze, M; Schumacher, M; Siegert, F; Slavich, P; Smillie, J M; Stål, O; von Soden-Fraunhofen, J F; Spira, M; Stewart, I W; Tackmann, F J; Taylor, P T E; Tommasini, D; Thompson, J; Thorne, R S; Torrielli, P; Tramontano, F; Tran, N V; Trócsányi, Z; Ubiali, M; Vazquez Acosta, M; Vickey, T; Vicini, A; Waalewijn, W J; Wackeroth, D; Wagner, C; Walsh, J R; Wang, J; Weiglein, G; Whitbeck, A; Williams, C; Yu, J; Zanderighi, G; Zanetti, M; Zaro, M; Zerwas, P M; Zhang, C; Zirke, T J E; Zuberi, S

    2013-01-01

    This Report summarizes the results of the activities in 2012 and the first half of 2013 of the LHC Higgs Cross Section Working Group. The main goal of the working group was to present the state of the art of Higgs Physics at the LHC, integrating all new results that have appeared in the last few years. This report follows the first working group report Handbook of LHC Higgs Cross Sections: 1. Inclusive Observables (CERN-2011-002) and the second working group report Handbook of LHC Higgs Cross Sections: 2. Differential Distributions (CERN-2012-002). After the discovery of a Higgs boson at the LHC in mid-2012 this report focuses on refined prediction of Standard Model (SM) Higgs phenomenology around the experimentally observed value of 125-126 GeV, refined predictions for heavy SM-like Higgs bosons as well as predictions in the Minimal Supersymmetric Standard Model and first steps to go beyond these models. The other main focus is on the extraction of the characteristics and properties of the newly discovered p...

  17. Patient-reported outcome measures in patients with peripheral arterial disease: a systematic review of psychometric properties.

    Science.gov (United States)

    Poku, Edith; Duncan, Rosie; Keetharuth, Anju; Essat, Munira; Phillips, Patrick; Woods, Helen Buckley; Palfreyman, Simon; Jones, Georgina; Kaltenthaler, Eva; Michaels, Jonathan

    2016-11-24

    Peripheral arterial disease (PAD) is generally associated with considerable morbidity and reduced quality of life. Patient-reported outcome measures (PROMs) provide important information about the burden of disease and impact of treatment in affected patients. The objective of the review was to identify and appraise studies reporting the psychometric evaluation of PROMs administered to a specified population of patients with PAD with a view to recommending suitable PROMs. A systematic review of peer-reviewed English language articles was undertaken to identify primary studies reporting psychometric properties of PROMs in English-speaking patients with various stages of PAD. Comprehensive searches were completed up until January 2015. Study selection, data extraction and quality assessment were undertaken independently by at least two researchers. Findings were presented as tabular and narrative summaries based on accepted guidance. Psychometric evaluation of 6 generic and 7 condition-specific PROMs reported in 14 studies contributed data to the review. The frequently reported measure was the SF-36 (n = 11 studies); others included the Walking Impairment Questionnaire (n = 8 studies), EQ-5D (n = 5 studies) and the Vascular Quality of Life Questionnaire (n = 3 studies). Studies included a diverse PAD population and varied in methodology, including approach to validation of PROMs. Various PROMs have been validated in patients with PAD but no study provided evidence of a full psychometric evaluation in the patient population. Careful selection is required to identify reliable and valid PROMs to use in clinical and research settings.

  18. Handbook of LHC Higgs Cross Sections: 3. Higgs Properties Report of the LHC Higgs Cross Section Working Group

    CERN Document Server

    Heinemeyer, S; Passarino, G; Tanaka, R; Andersen, J R; Artoisenet, P; Bagnaschi, E A; Banfi, A; Becher, T; Bernlochner, F U; Bolognesi, S; Bolzoni, P; Boughezal, R; Buarque, D; Campbell, J; Caola, F; Carena, M; Cascioli, F; Chanon, N; Cheng, T; Choi, S Y; David, A; de Aquino, P; Degrassi, G; Del Re, D; Denner, A; van Deurzen, H; Diglio, S; Di Micco, B; Di Nardo, R; Dittmaier, S; Dührssen, M; Ellis, R K; Ferrera, G; Fidanza, N; Flechl, M; de Florian, D; Forte, S; Frederix, R; Frixione, S; Gangal, S; Gao, Y; Garzelli, M V; Gillberg, D; Govoni, P; Grazzini, M; Greiner, N; Griffiths, J; Gritsan, A V; Grojean, C; Hall, D C; Hays, C; Harlander, R; Hernandez-Pinto, R; Höche, S; Huston, J; Jubb, T; Kadastik, M; Kallweit, S; Kardos, A; Kashif, L; Kauer, N; Kim, H; Klees, R; Krämer, M; Krauss, F; Laureys, A; Laurila, S; Lehti, S; Li, Q; Liebler, S; Liu, X; Logan, E; Luisoni, G; Malberti, M; Maltoni, F; Mawatari, K; Maierhoefer, F; Mantler, H; Martin, S; Mastrolia, P; Mattelaer, O; Mazzitelli, J; Mellado, B; Melnikov, K; Meridiani, P; Miller, D J; Mirabella, E; Moch, S O; Monni, P; Moretti, N; Mück, A; Mühlleitner, M; Musella, P; Nason, P; Neu, C; Neubert, M; Oleari, C; Olsen, J; Ossola, G; Peraro, T; Peters, K; Petriello, F; Piacquadio, G; Potter, C T; Pozzorini, S; Prokofiev, K; Puljak, I; Rauch, M; Rebuzzi, D; Reina, L; Rietkerk, R; Rizzi, A; Rotstein-Habarnau, Y; Salam, G P; Sborlini, G; Schissler, F; Schönherr, M; Schulze, M; Schumacher, M; Siegert, F; Slavich, P; Smillie, J M; Stål, O; von Soden-Fraunhofen, J F; Spira, M; Stewart, I W; Tackmann, F J; Taylor, P T E; Tommasini, D; Thompson, J; Thorne, R S; Torrielli, P; Tramontano, F; Tran, N V; Trócsányi, Z; Ubiali, M; Vazquez Acosta, M; Vickey, T; Vicini, A; Waalewijn, W J; Wackeroth, D; Wagner, C; Walsh, J R; Wang, J; Weiglein, G; Whitbeck, A; Williams, C; Yu, J; Zanderighi, G; Zanetti, M; Zaro, M; Zerwas, P M; Zhang, C; Zirke, T J E; Zuberi, S

    2013-01-01

    This Report summarizes the results of the activities in 2012 and the first half of 2013 of the LHC Higgs Cross Section Working Group. The main goal of the working group was to present the state of the art of Higgs Physics at the LHC, integrating all new results that have appeared in the last few years. This report follows the first working group report Handbook of LHC Higgs Cross Sections: 1. Inclusive Observables (CERN-2011-002) and the second working group report Handbook of LHC Higgs Cross Sections: 2. Differential Distributions (CERN-2012-002). After the discovery of a Higgs boson at the LHC in mid-2012 this report focuses on refined prediction of Standard Model (SM) Higgs phenomenology around the experimentally observed value of 125-126 GeV, refined predictions for heavy SM-like Higgs bosons as well as predictions in the Minimal Supersymmetric Standard Model and first steps to go beyond these models. The other main focus is on the extraction of the characteristics and properties of the newly discovered p...

  19. Report on the Warehousing and Distribution Functions of the Division of Supply and Property Management.

    Science.gov (United States)

    Richardson, William M.; Baacke, Clifford M.

    The centralized warehouse concept as utilized by Montgomery County (Maryland) Public Schools is examined in this report detailing the operation of the warehouse facility and distribution system. After an executive summary, an addendum detailing comments by the staff of the Office of the Associate Superintendent for Supportive Services conflicting…

  20. New high temperature cementing materials for geothermal wells: stability and properties. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Roy, D.M.; White, E.L.; Langton, C.A.; Grutzeck, M.W.

    1980-07-01

    Potential high-temperature cements have been formulated and evaluated in terms of their properties for geothermal well cementing. Phase formation and compatibility in two major compositional regions were investigated in the temperature region between 200 and 400/sup 0/C and pressures up to 69 MPa (10,000 psi). These were followed by an evaluation of properties of the cements formed. One area in the system Ca0-Mg0-Si0/sub 2/-H/sub 2/0 centered around the xonotlite-chrysotile join while the other area of interest centered around the anorthite composition in the system Ca0-Al/sub 2/O/sub 3/-SiO/sub 2/-H/sub 2/O. After numerous exploratory studies, the magnesia-containing mixtures were prepared by mixing a Class J cement with various sources of magnesia such as calcined chrysotile, or magnesium oxide. Calcium oxide and silica fine quartz powder were also added to adjust the compositions. The aluminous system cements were formulated from high-alumina cements which were mixed with various silica sources.

  1. Sperry low-temperature geothermal conversion system. Volume I. Organic-working-fluid properties. Final report. [R-114, 1,2-dichlorotetrafluorethane

    Energy Technology Data Exchange (ETDEWEB)

    Carroll, C.; Hules, K.R.; Langley, R.; Toekes, B.; Wilson, D.P.

    1981-01-01

    Measurements of the physical properties of R-114 in the compressed liquid and dense gas regions are reported. Included are: experimental studies of the thermodynamic properties of R-114, enthalpy measurement by throttling experiment, engineering model of the thermodynamic properties of R-114, feasibility study to dissociate R-114 with a four-cycle gasoline engine, transport properties of R-114, analytical procedure to determine impurities in R-114, toxicological information on Freons, and a literature search of published properties of R-114, other refrigerants, and other potential working fluids. (LEW)

  2. A simple theory of protein folding kinetics

    CERN Document Server

    Pande, Vijay S

    2010-01-01

    We present a simple model of protein folding dynamics that captures key qualitative elements recently seen in all-atom simulations. The goals of this theory are to serve as a simple formalism for gaining deeper insight into the physical properties seen in detailed simulations as well as to serve as a model to easily compare why these simulations suggest a different kinetic mechanism than previous simple models. Specifically, we find that non-native contacts play a key role in determining the mechanism, which can shift dramatically as the energetic strength of non-native interactions is changed. For protein-like non-native interactions, our model finds that the native state is a kinetic hub, connecting the strength of relevant interactions directly to the nature of folding kinetics.

  3. Determination of basalt physical and thermal properties at varying temperatures, pressures, and moisture contents. Second progress report, fiscal year 1979

    Energy Technology Data Exchange (ETDEWEB)

    Miller, R.J.

    1979-08-13

    The rock mechanics testing performed at the Earth Mechanics Institute of the Colorado School of Mines for Rockwell Hanford Operations under Subcontract SA-917 is summarized. Cores were supplied from drill hole DC-8 on the Hanford Site, characterized geologically, and tested for thermal and physical properties for designing long-term underground storage of radioactive waste materials. This report presents the approved test procedures, results, and data analysis for this test series. Results indicate significantly lower strengths for drill hole DC-8 than determined for drill hole DC-6 or for the drill holes reported on in our fiscal year 1978 (FY 78) tests. Trends, however, were found to be similar between drill holes DC-6 and DC-8, and it is hoped more definitive conclusions can be found following completion of the final series of tests.

  4. Alpha-amylase inhibition kinetics by caulerpenyne

    Directory of Open Access Journals (Sweden)

    S. CENGIZ

    2010-03-01

    Full Text Available Many algae have important secretions which are generally used for defensive purposes. These secretions take attentions of a lot of researchers who are wondering if these metabolites can be used for medical researches or not. Among these metabolites, caulerpenyne (CYN which is the main metabolite of Caulerpa species, have had an important place in Caulerpa researches since the results related to its determined properties such as cytotoxic, antiviral, antiproliferative and apoptotic effects have been proven by many scientific reports. In the present study, the inhibitory effect of CYN isolated from C. prolifera on alpha-amylase was investigated. The inhibition experiments were done with CYN by spectrophotometric determination method. In order to evaluate the type of inhibition Lineweaver–Burk plot was produced. The results obtained from enzyme kinetic studies exhibited an un-competitive type of inhibition, which is characterized by the difference of Vmax and KM from those of the free enzyme, of alpha-amylase in the presence of CYN. The present study showed that Caulerpa species can be a potential target for producing diabetic drugs in the light of the results obtained for CYN.

  5. Shock-Driven Hydrodynamic Instability Growth Near Phase Boundaries and Material Property Transitions: Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Peralta, Pedro [Arizona State Univ., Tempe, AZ (United States); Fortin, Elizabeth [Arizona State Univ., Tempe, AZ (United States); Opie, Saul [Arizona State Univ., Tempe, AZ (United States); Gautam, Sudrishti [Arizona State Univ., Tempe, AZ (United States); Gopalakrishnan, Ashish [Arizona State Univ., Tempe, AZ (United States); Lynch, Jenna [Arizona State Univ., Tempe, AZ (United States); Chen, Yan [Arizona State Univ., Tempe, AZ (United States); Loomis, Eric [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-03-01

    (or decreasing the initial wavelength) delays the perturbation decay. Conversely our experimental data, analysis and simulations show that for materials with elastic yield strength Y the normalized shock perturbation amplitude evolves with Yλ/A0, which shows wavelength increases have the opposite effect as in viscous materials and perturbation decay is also dependent on initial amplitude A0 (viscous materials are independent of this parameter). Materials where strength had clear strain rate dependence, e.g., such as a PTW material law, behaved similarly to materials with only an effective yield stress (elastic-perfectly plastic) in the shock front perturbation studies obeying a YeffλA0 relationship where Yeff was a constant (near ~400 MPa for Cu for strain rates around 106 s-1). Magnitude changes in strain rate would increase Yeff as would be expected from the PTW behavior, but small perturbations (typical of regions behind the shock front) near a mean had little effect. Additional work based on simulations showed that phase transformation kinetics can affect the behavior of the perturbed shock front as well as the evolution of the RM-like instability that develops due to the imprint of the perturbed shock front on the initially flat surface as the shock breaks out.

  6. Review of world experience and properties of materials for encapsulation of terrestrial photovoltaic arrays. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Carmichael, D.C.; Gaines, G.B.; Sliemers, F.A.; Kistler, C.W.; Igou, R.D.

    1976-07-21

    Available information defining the state of the art of encapsulation materials and processes for terrestrial photovoltaic devices and related applications were collected and analyzed. Based on criteria of properties, processability, availability, and cost, candidate materials were identified which have potential for use in encapsulation systems for low-cost, long-life terrestrial photovoltaic arrays manufactured by automated, high-volume processes. The criteria for consideration of the encapsulation systems were based on the goals for arrays with a lifetime of over 20 years high reliability, an efficiency greater than 10 percent, a total array price less than $500/kW, and a production capacity of 5 x 10/sup 5/ kW/yr. (WDM)

  7. Properties of artificial neurons that report lightness based on accumulated experience with luminance

    Directory of Open Access Journals (Sweden)

    Yaniv eMorgenstern

    2014-11-01

    Full Text Available The responses of visual neurons in experimental animals have been extensively characterized. To ask whether these responses are consistent with a wholly empirical concept of visual perception, we optimized simple neural networks that respond according to the cumulative frequency of occurrence of local luminance patterns in retinal images. Based on this estimation of accumulated experience, the neuron responses showed classical center-surround receptive fields, luminance gain control and contrast gain control, the key properties of early level visual neurons determined in animal experiments. These results imply that a major purpose of pre-cortical neuronal circuitry is to contend with the inherently uncertain significance of luminance values in natural stimuli.

  8. Report on selected concerns regarding property accountability at the Continuous Electron Beam Accelerator facility

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-11-24

    The Continuous Electron Beam Accelerator Facility (CEBAF) is a federally funded research and development center at Newport News, Virginia, At the time of our review, Southeastern Universities Research Association (SURA) was operating CEBAF for the Department of Energy (DOE) under a management and operating (M&O) contract administered by DOE`s Oak Ridge Operations Office. SURA is currently operating CEBAF under a performance based management contract, The purpose of our inspection was to evaluate selected management issues regarding property accountability at CEBAF that we identified as a result of a complaint received by the Office of Inspector General. The complainant alleged a lack of accountability for Government equipment at CEBAF and the lack of an equipment inventory. Specifically, the complainant alleged, among other things, that after a named supervisor departed, CEBAF personnel had no idea what equipment had been assigned to the supervisor and could not account for any missing materials.

  9. First report of charge-transfer induced heat-set hydrogel. Structural insights and remarkable properties

    Science.gov (United States)

    Bhattacharjee, Subham; Maiti, Bappa; Bhattacharya, Santanu

    2016-05-01

    The remarkable ability of a charge-transfer (CT) complex prepared from a pyrene-based donor (Py-D) and a naphthalenediimide-based acceptor (NDI-A) led to the formation of a deep-violet in color, transparent hydrogel at room temperature (RT-gel). Simultaneously, the RT-gel was diluted beyond its critical gelator concentration (CGC) to obtain a transparent sol. Very interestingly, the resultant sol, on heating above 70 °C, transformed into a heat-set gel instantaneously with a hitherto unknown CGC value. Detailed studies revealed the smaller globular aggregates of the RT-gels fuse to form giant globules upon heating, which, in turn, resulted in heat-set gelation through further aggregation. The thermoresponsive property of Py-D alone and 1 : 1 Py-D : NDI-A CT complex was investigated in detail which revealed the hydrophobic collapse of the oxyethylene chains of the CT complex upon heating was mainly responsible for heat-set gelation. Thixotropy, injectability, as well as stimuli responsiveness of the RT-gels were also addressed. In contrast, heat-set gel did not show thixotropic behavior. The X-ray diffraction (XRD) patterns of the xerogel depicted lamellar packing of the CT stacks in the gel phase. Single crystal XRD studies further evidenced the 1 : 1 mixed CT stack formation in the lamellae and also ruled out orthogonal hydrogen bonding possibilities among the hydrazide unit in the CT gel although such interaction was observed in a single crystal of NDI-A alone. In addition, a Ag+-ion triggered metallogelation of NDI-A and nematic liquid-crystalline property of Py-D were also observed.The remarkable ability of a charge-transfer (CT) complex prepared from a pyrene-based donor (Py-D) and a naphthalenediimide-based acceptor (NDI-A) led to the formation of a deep-violet in color, transparent hydrogel at room temperature (RT-gel). Simultaneously, the RT-gel was diluted beyond its critical gelator concentration (CGC) to obtain a transparent sol. Very interestingly, the

  10. Electronic properties of semiconductor interfaces. Final technical report, December 1981-February 1983

    Energy Technology Data Exchange (ETDEWEB)

    Flores, F.; Tejedor, C.; Guinea, F.; Sanchez-Dehesa, J.

    1983-02-01

    The objective was to analyze the electronic properties of different semiconductor interfaces. The Wannier function formalism has been applied to the GaAs-AlAs (111) and (100) heterojunctions and superlattices. Ionic relaxations, band discontinuities and interface states have been obtained. Abrupt Si-metal interfaces and Si-interlayer-metal junctions have been analyzed by means of a self-consistent tight-binding approach. The barrier height has been obtained by calculating the interface density of states and the neutral level of the junction. Our results show that the barrier height is mainly determined by the coupling between the semiconductor and the last layer just sitting on top of the same semiconductor.

  11. Effect of Microbial Transglutaminase on Ice Cream Heat Resistance Properties – a Short Report

    Directory of Open Access Journals (Sweden)

    Kasprzyk Iwona

    2016-07-01

    Full Text Available The objective of this study was to investigate the effect of the addition of transglutaminase (TG preparation Saprovia L ® (PMT TRADING Co. Ltd, Lodz, Poland on the properties of ice cream with 40 g/kg and 70 g/kg fat content. TG was added at a concentration of 2 U/g protein. We studied the effect of transglutaminase on fresh and 3-month-stored at -25°C ice cream. Ice cream mixes were prepared with 5 g/kg stabilizer. Melting test was performed after thermal shocks until the “1st drop” occurrence. The amount of effluent was measured within the 0-120 min time frame. We evaluated the appearance of the samples and carried out the TPA and compression analysis. The addition of the enzyme has increased the resistance of stored ice cream to repeated thermal shocks.

  12. Brief Report: The Preliminary Psychometric Properties of the Social Communication Checklist.

    Science.gov (United States)

    Wainer, Allison L; Berger, Natalie I; Ingersoll, Brooke R

    2017-04-01

    Despite the expansion of early intervention approaches for young children with ASD, investigators have struggled to identify measures capable of assessing social communication change in response to these interventions. Addressing recent calls for efficient, sensitive, and reliable social communication measures, the current paper outlines the refinement and validation of the Social Communication Checklist (SCC). We discuss two small studies exploring the psychometric properties of the SCC and the SCC-R (revised Social Communication Checklist), including sensitivity to change, inter-rater reliability, and test-retest reliability, in two samples of children with ASD and one sample of typically-developing children. Results indicate this measure is reliable, sensitive to change after a brief social communication intervention, and strongly related to well-established measures of social communicative functioning.

  13. Examination of motor unit control properties in stroke survivors using surface EMG decomposition: a preliminary report.

    Science.gov (United States)

    Suresh, Nina; Li, Xiaoyan; Zhou, Ping; Rymer, William Zev

    2011-01-01

    The objective of this pilot study was to examine alterations in motor unit (MU) control properties, (i.e. MU recruitment and firing rate) after stroke utilizing a recently developed high-yield surface electromyogram (EMG) decomposition technique. Two stroke subjects participated in this study. A sensor array was used to record surface EMG signals from the first dorsal interosseous (FDI) muscle during voluntary isometric contraction at varying force levels. The recording was performed in both paretic and contralateral muscles using a matched force protocol. Single motor unit activity was extracted using the surface EMG decomposition software from Delsys Inc. The results from the two stroke subjects indicate a reduction in the mean motor unit firing rate and a compression of motor unit recruitment range in paretic muscle as compared with the contralateral muscles. These findings provide further evidence of spinal motoneuron involvement after a hemispheric brain lesion, and help us to understand the complex origins of stroke induced muscle weakness.

  14. Characterization and thermophysical properties of bi-based ceramic superconductors. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Gamble, Brian K. [Clemson Univ., Clemson, SC (United States)

    2001-05-31

    The BES supported research at Clemson University and South Carolina State University (1994-1999) on the BiSCCO high temperature superconductors, as well as other research at Clemson and elsewhere on a range of conducting and superconducting materials, revealed substantial evidence that dimensionality plays a key role in their magnetic and transport properties. Previous theoretical and experimental activities have shown that high magnetic fields can have novel and large effects on the ground state of low dimensional systems. Much new physics is expected to result from these interactions, not only the suppression or restoration of superconductivity, but also the enhancement (or even field induced) charge density wave nesting and the destruction of density wave states.

  15. Radiological surveys of properties in the Middlesex, New Jersey area. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Leggett, R W; Haywood, F.F. Cottrell, W.D.

    1981-03-01

    Results of the radiological surveys conducted at three properties in the Middlesex, New Jersey area as well as one additional location downstream from the Middlesex Sampling Plant (Willow Lake), are presented. The survey revealed that the yard around the church rectory on Harris Avenue is contaminated with a /sup 226/Ra-bearing material, probably pitchblende ore from the former Middlesex Sampling Plant. The elevated /sup 226/Ra concentrations around and, to a lesser extent, underneath the rectory are leading to elevated /sup 222/Rn concentrations in air in the rectory and elevated alpha contamination levels (from radon daughters) on surfaces inside the rectory. External gamma radiation levels in the rectory yard are well above background levels, and beta-gamma dose rates at many points in the yard are above federal guidelines for the release of property for unrestricted use. The radiological survey of a parking lot at the Union Carbide plant in Bound Brook, New Jersey revealed that a nearly circular region of 50-ft diam in the lot showed above-background external gamma radiation levels. Two isolated spots within this region showed concentrations of uranium in soil above the licensable level stated in 10 CFR 40. Soil samples taken in the area of elevated gamma radiation levels generally showed nearly equal activities of /sup 226/Ra and /sup 238/U. The survey at the residences on William Street in Piscataway, revealed that the front yeard is generally contaminated from near the surface to a depth of 1.5 to 2.5 ft with /sup 226/Ra-bearing material, possibly pitchblende ore. The remainder of the yard shows scattered contaminaion. External gamma radiation levels inside the house are above the background level near some outside walls.

  16. Multiple alternative substrate kinetics.

    Science.gov (United States)

    Anderson, Vernon E

    2015-11-01

    The specificity of enzymes for their respective substrates has been a focal point of enzyme kinetics since the initial characterization of metabolic chemistry. Various processes to quantify an enzyme's specificity using kinetics have been utilized over the decades. Fersht's definition of the ratio kcat/Km for two different substrates as the "specificity constant" (ref [7]), based on the premise that the important specificity existed when the substrates were competing in the same reaction, has become a consensus standard for enzymes obeying Michaelis-Menten kinetics. The expansion of the theory for the determination of the relative specificity constants for a very large number of competing substrates, e.g. those present in a combinatorial library, in a single reaction mixture has been developed in this contribution. The ratio of kcat/Km for isotopologs has also become a standard in mechanistic enzymology where kinetic isotope effects have been measured by the development of internal competition experiments with extreme precision. This contribution extends the theory of kinetic isotope effects to internal competition between three isotopologs present at non-tracer concentrations in the same reaction mix. This article is part of a special issue titled: Enzyme Transition States from Theory and Experiment.

  17. Kinetics of self-induced nucleation and optical properties of GaN nanowires grown by plasma-assisted molecular beam epitaxy on amorphous Al{sub x}O{sub y}

    Energy Technology Data Exchange (ETDEWEB)

    Sobanska, M., E-mail: sobanska@ifpan.edu.pl; Zytkiewicz, Z. R.; Klosek, K.; Tchutchulashvili, G. [Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02-668 Warsaw (Poland); Korona, K. P. [Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw (Poland)

    2015-11-14

    Nucleation kinetics of GaN nanowires (NWs) by molecular beam epitaxy on amorphous Al{sub x}O{sub y} buffers deposited at low temperature by atomic layer deposition is analyzed. We found that the growth processes on a-Al{sub x}O{sub y} are very similar to those observed on standard Si(111) substrates, although the presence of the buffer significantly enhances nucleation rate of GaN NWs, which we attribute to a microstructure of the buffer. The nucleation rate was studied vs. the growth temperature in the range of 720–790 °C, which allowed determination of nucleation energy of the NWs on a-Al{sub x}O{sub y} equal to 6 eV. This value is smaller than 10.2 eV we found under the same conditions on nitridized Si(111) substrates. Optical properties of GaN NWs on a-Al{sub x}O{sub y} are analyzed as a function of the growth temperature and compared with those on Si(111) substrates. A significant increase of photoluminescence intensity and much longer PL decay times, close to those on silicon substrates, are found for NWs grown at the highest temperature proving their high quality. The samples grown at high temperature have very narrow PL lines. This allowed observation that positions of donor-bound exciton PL line in the NWs grown on a-Al{sub x}O{sub y} are regularly lower than in samples grown directly on silicon suggesting that oxygen, instead of silicon, is the dominant donor. Moreover, PL spectra suggest that total concentration of donors in GaN NWs grown on a-Al{sub x}O{sub y} is lower than in those grown under similar conditions on bare Si. This shows that the a-Al{sub x}O{sub y} buffer efficiently acts as a barrier preventing uptake of silicon from the substrate to GaN.

  18. 含芳醚芴二胺/环氧树脂固化反应动力学及性能研究%Curing kinetics and properties of epoxy resins/fluorene diamine containing aryl ether linkage

    Institute of Scientific and Technical Information of China (English)

    刘文彬; 王军; 李国兵; 郝永昌; 黎亚明

    2014-01-01

    以9,9-双[4-4-氨基苯氧基苯基]芴(BAOFL)作为固化剂,采用非等温DSC技术,研究了BAOFL/环氧树脂(E-51、TDE-85和芴基环氧树脂)体系的固化反应动力学,利用动态热机械分析仪(DMA)和热重分析仪(TGA)测试了固化树脂的力学性能和热稳定性。结果表明,固化反应活化能与环氧树脂和固化剂的结构密切相关,芳醚的引入提高了氨基与环氧基的反应性,固化树脂呈现出优良的热性能和力学性能,其玻璃化转变温度(T )达到206~248℃,贮能模量为2.54~2.94 GPa,初始热分解温度312~375℃,700℃g时的残炭率达到15.2%~31.7%。%In this study,the curing kinetics of 9,9-bis[4-(4-aminophenoxy)phenyl]fluorene (BAOFL) with different epoxy resins including diglycidyl ether of bisphenol A (E-51),cycloaliphatic epoxy resin (TDE-85) and diglycidyl ether of bisphenol fluorene (DGEBF) was investigated using nonisothermal differential scanning calorimetry (DSC) by Kissinger and Ozawa methods.The thermal properties of obtained polymers were evaluated by dynamic mechanical thermal analysis (DMA) and thermogravimetric analysis (TGA).The results showed that the values of activation energy (Ea) werea strongly dependent on the structures of epoxy resin and curing agent.The curing reactivity between amino groups and epoxy groups in the epoxy system was improved by introduction of the flexible aryl ether linkages into the chain backbone.The cured polymers exhibited higher glass transition temperature (Tg),lower rigidity and better thermal stability compared tog those of the corresponding epoxy resins/fluorenyl diamine without aryl ether linkages.The cured product of epoxy resin/BAOFL has a Tg of and a 206-248 storage modulus of 2.54-2.94 GPa.The thermal decomposition temperatureg℃weight loss and the char yield at 700 of the cured polymer were 312-375℃ and 15.2%-31.7%,respectively.

  19. Studies on the heat shield structure of ceramic gas turbine components, first report: heat shield properties of the ceramic combustor

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, K.; Hisamatsu, T.; Yuri, I. (CRIEPI, Yokosuka-shi (Japan). Yokosuka Research Lab.)

    1993-04-01

    The ceramic gas turbine for power generation consists of ceramic parts and metal parts. In order to improve the performance and reliability of the ceramic gas turbine, it is important to develop a heat shield structure between ceramics and metal. CRIEPI proposed a heat shield structure for the ceramic combustor wall in which a small amount of air is introduced in a ceramic fibre layer in the ceramic combustor wall. It was confirmed that the heat shield structure has excellent performance in a high pressure combustion test. This report describes the heat transfer property of the heat shield structure in the ceramic combustor wall by numerical analysis. As a result of analysis, it was clarified that the ceramic fibre temperature changes rapidly near the ceramic tiles, and that the heat transfer property of the heat shield structure is as follows: heat shield performance is maintained by introducing a small amount of air; metal wall temperature is little affected by combustion gas temperature, thermophysical property of ceramic fibres and so on. 9 refs., 19 figs., 2 tabs.

  20. Simplification of the unified gas kinetic scheme

    Science.gov (United States)

    Chen, Songze; Guo, Zhaoli; Xu, Kun

    2016-08-01

    The unified gas kinetic scheme (UGKS) is an asymptotic preserving (AP) scheme for kinetic equations. It is superior for transition flow simulation and has been validated in the past years. However, compared to the well-known discrete ordinate method (DOM), which is a classical numerical method solving the kinetic equations, the UGKS needs more computational resources. In this study, we propose a simplification of the unified gas kinetic scheme. It allows almost identical numerical cost as the DOM, but predicts numerical results as accurate as the UGKS. In the simplified scheme, the numerical flux for the velocity distribution function and the numerical flux for the macroscopic conservative quantities are evaluated separately. The equilibrium part of the UGKS flux is calculated by analytical solution instead of the numerical quadrature in velocity space. The simplification is equivalent to a flux hybridization of the gas kinetic scheme for the Navier-Stokes (NS) equations and the conventional discrete ordinate method. Several simplification strategies are tested, through which we can identify the key ingredient of the Navier-Stokes asymptotic preserving property. Numerical tests show that, as long as the collision effect is built into the macroscopic numerical flux, the numerical scheme is Navier-Stokes asymptotic preserving, regardless the accuracy of the microscopic numerical flux for the velocity distribution function.