Necessary and sufficient conditions for the quantum Zeno and anti-Zeno effect

International Nuclear Information System (INIS)

Atmanspacher, Harald; Ehm, Werner; Gneiting, Tilmann

2003-01-01

A necessary and sufficient condition for the occurrence of the quantum Zeno effect is given, refining a recent conjecture of Luo, Wang and Zhang. An analogous condition is derived for the quantum anti-Zeno effect. Both results rely on a formal connection between the quantum (anti-)Zeno effect and the weak law of large numbers

A Sufficient Condition on Convex Relaxation of AC Optimal Power Flow in Distribution Networks

DEFF Research Database (Denmark)

Huang, Shaojun; Wu, Qiuwei; Wang, Jianhui

2016-01-01

This paper proposes a sufficient condition for the convex relaxation of AC Optimal Power Flow (OPF) in radial distribution networks as a second order cone program (SOCP) to be exact. The condition requires that the allowed reverse power flow is only reactive or active, or none. Under the proposed...... solution of the SOCP can be converted to an optimal solution of the original AC OPF. The efficacy of the convex relaxation to solve the AC OPF is demonstrated by case studies of an optimal multi-period planning problem of electric vehicles (EVs) in distribution networks....... sufficient condition, the feasible sub-injection region (power injections of nodes excluding the root node) of the AC OPF is convex. The exactness of the convex relaxation under the proposed condition is proved through constructing a group of monotonic series with limits, which ensures that the optimal...

Guess LOD approach: sufficient conditions for robustness.

Science.gov (United States)

Williamson, J A; Amos, C I

1995-01-01

Analysis of genetic linkage between a disease and a marker locus requires specifying a genetic model describing both the inheritance pattern and the gene frequencies of the marker and trait loci. Misspecification of the genetic model is likely for etiologically complex diseases. In previous work we have shown through analytic studies that misspecifying the genetic model for disease inheritance does not lead to excess false-positive evidence for genetic linkage provided the genetic marker alleles of all pedigree members are known, or can be inferred without bias from the data. Here, under various selection or ascertainment schemes we extend these previous results to situations in which the genetic model for the marker locus may be incorrect. We provide sufficient conditions for the asymptotic unbiased estimation of the recombination fraction under the null hypothesis of no linkage, and also conditions for the limiting distribution of the likelihood ratio test for no linkage to be chi-squared. Through simulation studies we document some situations under which asymptotic bias can result when the genetic model is misspecified. Among those situations under which an excess of false-positive evidence for genetic linkage can be generated, the most common is failure to provide accurate estimates of the marker allele frequencies. We show that in most cases false-positive evidence for genetic linkage is unlikely to result solely from the misspecification of the genetic model for disease or trait inheritance.

A necessary and sufficient condition for the convergence of an AOR iterative method

International Nuclear Information System (INIS)

Hu Jiagan

1992-01-01

In this paper, a necessary and sufficient condition for the convergence of an AOR iterative method is given under the condition that the coefficient matrix A is consistently ordered and the eigenvalues of the Jacobi matrix of A are all real. With the same method the condition for the convergence of t he extrapolation Gauss-Seidel (EGS) method is also obtained. As an example, the conditions for the model problem are given. The rate of convergence of the EGS method is about twice that of the GS method

Gas phase reactions of organic iodine in containment conditions

International Nuclear Information System (INIS)

Kaerkalae, T.; Holm, J.; Auvinen, A.; Zilliacus, R.; Kajolinna, T.; Tapper, U.; Gaenneskog, H.; Ekberg, C.

2010-01-01

In case of a hypothetical severe accident it is very likely that iodine at least partly deposits on painted walls of a reactor containment building. Iodine may react with painted surfaces to form organic iodine species. These organic species are a possible source of volatile iodine, which may increase the fraction of releasable iodine. Therefore, it is important to study the transport of organic iodine in containment conditions. Another question is, in which form are the organic iodides transported as gaseous molecules or as aerosol particles resulting from organic iodides reacting with radiolysis products. To answer this last question methyl iodide was fed into the EXSI facility in an air mixture. In some experiments the flow contained also humidity. The reactions took place in a quartz tube heated either to 50 deg. C, 90 deg. C or 120 deg. C. UV-light was used as a source of radiation to produce ozone from oxygen. A separate generator was also applied to reach higher ozone concentrations. Nucleated aerosol particles were collected on plane filters and gaseous iodine species were trapped in trapping bottles. Aerosol mass flow rate and size distribution as well as speciation of gaseous reaction products were measured with several on-line instruments. Collected aerosol particles were analysed with SEM. It was found that the formation of aerosol particles was very fast when ozone and methyl iodide were present in the facility. Even a very low concentration of ozone produced high number concentration of particles. The measured aerosol mass concentration increased with increasing temperature and ozone concentration. Because the particle diameter was quite small (<180 nm), their settling velocity is low. Therefore, iodine containing aerosols may exist in containment atmosphere for a long period of time. Part of methyl iodide was always transported through the facility regardless of experimental conditions. All ozone was consumed in the reactions when only UV-light was

Necessary and Sufficient Conditions for Pareto Optimality in Infinite Horizon Cooperative Differential Games

NARCIS (Netherlands)

Reddy, P.V.; Engwerda, J.C.

2011-01-01

In this article we derive necessary and sufficient conditions for the existence of Pareto optimal solutions for infinite horizon cooperative differential games. We consider games defined by non autonomous and discounted autonomous systems. The obtained results are used to analyze the regular

Sufficient condition for confinement of static quarks by a vortex condensation mechanism

International Nuclear Information System (INIS)

Mack, G.; Petkova, V.B.

1978-11-01

We derive a sufficient condition for confinement of static quarks by a vortex condensation mechanism. It admits vortices that are thick at all times at the cost of constraining them to a finite volume Λi whose complement is not simply connected. The confining potential V(L) is estimated in terms of the change of free energy of a system enclosed in Λi which is induced by a change in vorticity (= singular gauge transformation applied to boundary conditions on deltaΛi). For Abelian gauge theories in 3 dimensions the confining Coulomb potential is reproduced as a lower bound. (orig.) [de

On necessary and sufficient conditions for some Higgs potentials to be bounded from below

International Nuclear Information System (INIS)

Klimenko, K.G.

1984-01-01

The necessary and sufficient (NS) conditions have been obtained to make the Higgs potentials be bounded from below. Here these potentials are constructed from: (i) two doublets, as well as two doublets and a singlet of SU(2)-group; (ii) adjoint and vector representations of SO(n). For the potential constructed from the adjoint and fundamental SU(n) multiplets, the problem of NS conditions is solved partially

Identification of necessary and sufficient conditions for real non-negativeness of rational matrices

International Nuclear Information System (INIS)

Saeed, K.

1982-12-01

The necessary and sufficient conditions for real non-negativeness of rational matrices have been identified. A programmable algorithm is developed and is given with its computer flow chart. This algorithm can be used as a general solution to test the real non-negativeness of rational matrices. The computer program assures the feasibility of the suggested algorithm. (author)

Forty Necessary and Sufficient Conditions for Regularity of Interval Matrices: A survey

Czech Academy of Sciences Publication Activity Database

Rohn, Jiří

2009-01-01

Roč. 18, - (2009), s. 500-512 E-ISSN 1081-3810 R&D Projects: GA ČR GA201/09/1957; GA ČR GC201/08/J020 Institutional research plan: CEZ:AV0Z10300504 Keywords : interval matrix * regularity * singularity * necessary and sufficient condition * algorithm Subject RIV: BA - General Mathematics Impact factor: 0.892, year: 2009 http://www.math.technion.ac.il/iic/ ela / ela -articles/articles/vol18_pp500-512.pdf

The Eschenmoser coupling reaction under continuous-flow conditions

Science.gov (United States)

Singh, Sukhdeep; Köhler, J Michael; Schober, Andreas

2011-01-01

Summary The Eschenmoser coupling is a useful carbon–carbon bond forming reaction which has been used in various different synthesis strategies. The reaction proceeds smoothly if S-alkylated ternary thioamides or thiolactames are used. In the case of S-alkylated secondary thioamides or thiolactames, the Eschenmoser coupling needs prolonged reaction times and elevated temperatures to deliver valuable yields. We have used a flow chemistry system to promote the Eschenmoser coupling under enhanced reaction conditions in order to convert the demanding precursors such as S-alkylated secondary thioamides and thiolactames in an efficient way. Under pressurized reaction conditions at about 220 °C, the desired Eschenmoser coupling products were obtained within 70 s residence time. The reaction kinetics was investigated and 15 examples of different building block combinations are given. PMID:21915222

The Eschenmoser coupling reaction under continuous-flow conditions

Directory of Open Access Journals (Sweden)

Sukhdeep Singh

2011-08-01

Full Text Available The Eschenmoser coupling is a useful carbon–carbon bond forming reaction which has been used in various different synthesis strategies. The reaction proceeds smoothly if S-alkylated ternary thioamides or thiolactames are used. In the case of S-alkylated secondary thioamides or thiolactames, the Eschenmoser coupling needs prolonged reaction times and elevated temperatures to deliver valuable yields. We have used a flow chemistry system to promote the Eschenmoser coupling under enhanced reaction conditions in order to convert the demanding precursors such as S-alkylated secondary thioamides and thiolactames in an efficient way. Under pressurized reaction conditions at about 220 °C, the desired Eschenmoser coupling products were obtained within 70 s residence time. The reaction kinetics was investigated and 15 examples of different building block combinations are given.

A necessary and sufficient condition for a real quadratic extension to have class number one

International Nuclear Information System (INIS)

Alemu, Y.

1990-02-01

We give a necessary and sufficient condition for a real quadratic extension to have class number one and discuss the applicability of the result to find the class number one fields with small discriminant. 9 refs, 3 tabs

Necessary and sufficient conditions for Hopf bifurcation in tri-neuron equation with a delay

International Nuclear Information System (INIS)

Liu Xiaoming; Liao Xiaofeng

2009-01-01

In this paper, we consider the delayed differential equations modeling three-neuron equations with only a time delay. Using the time delay as a bifurcation parameter, necessary and sufficient conditions for Hopf bifurcation to occur are derived. Numerical results indicate that for this model, Hopf bifurcation is likely to occur at suitable delay parameter values.

The sufficient condition for an extremum in the classical action integral as an eingenvalue problem

International Nuclear Information System (INIS)

Hussein, M.S.; Pereira, J.G.

The sufficient condition for an extremum in the classical action integral is studied using Morse's theory. Applications to the classical harmonic and anharmonic oscillators are made. The analogy of the calculations to the quantum mechanical problems in one dimension is stressed. (Author) [pt

Applying reaction condition index to predict sandstone type uranium deposit

International Nuclear Information System (INIS)

Chen Gongxin; Liu Jinhui; Cheng Hai

2002-01-01

On the basic of the explanation of reaction condition index, the deduction of reaction condition index calculation principle, the hydrogeological setting in Gongpoquan basin in Baishan, Gansu province and the study of reaction condition index of its water source point, the north Luotuoquan area in Gongpoquan basin seems to be a favourable place for sandstone type uranium deposit, and the prospect area for sandstone type uranium deposit is delimitated

Sufficient Condition for Estimation in Designing H∞ Filter-Based SLAM

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Nur Aqilah Othman

2015-01-01

Full Text Available Extended Kalman filter (EKF is often employed in determining the position of mobile robot and landmarks in simultaneous localization and mapping (SLAM. Nonetheless, there are some disadvantages of using EKF, namely, the requirement of Gaussian distribution for the state and noises, as well as the fact that it requires the smallest possible initial state covariance. This has led researchers to find alternative ways to mitigate the aforementioned shortcomings. Therefore, this study is conducted to propose an alternative technique by implementing H∞ filter in SLAM instead of EKF. In implementing H∞ filter in SLAM, the parameters of the filter especially γ need to be properly defined to prevent finite escape time problem. Hence, this study proposes a sufficient condition for the estimation purposes. Two distinct cases of initial state covariance are analysed considering an indoor environment to ensure the best solution for SLAM problem exists along with considerations of process and measurement noises statistical behaviour. If the prescribed conditions are not satisfied, then the estimation would exhibit unbounded uncertainties and consequently results in erroneous inference about the robot and landmarks estimation. The simulation results have shown the reliability and consistency as suggested by the theoretical analysis and our previous findings.

Sufficiency of Bell's conditions

Energy Technology Data Exchange (ETDEWEB)

Gutkowski, D; Masotto, G [Istituto di Matematica della Universita di Palermo (Italy); Valdes, M V

1979-04-11

It is shown that, if the results of measurements of spin components of two-spin one-half particles coupled to a singlet state with respect to n=3 directions satisfy Bell's conditions, then these results are compatible with a local hidden-variable theory. The previous statement is extended to the case n=4.

The necessary and sufficient conditions of the optimality for hyperbolic systems with non-differentiable performance functional

International Nuclear Information System (INIS)

Kowalewski, A.

1982-11-01

In this paper an optimal control problem with non-differentiable cost function for distributed parameter system is solved. As an example an optimal control problem for system described by a linear partial differential of hyperbolic type with the Neuman's boundary condition is considered. By use of the Milutin-Dubovicki method, necessary and sufficient conditions of optimality with non-differentiable performance functional and constrained control are derived for Neuman's problem. (author)

A sufficient condition for de Sitter vacua in type IIB string theory

Energy Technology Data Exchange (ETDEWEB)

Rummel, Markus [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Westphal, Alexander [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

2011-07-15

We derive a sufficient condition for realizing meta-stable de Sitter vacua with small positive cosmological constant within type IIB string theory flux compactifications with spontaneously broken supersymmetry. There are a number of 'lamp post' constructions of de Sitter vacua in type IIB string theory and supergravity. We show that one of them - the method of 'Kaehler uplifting' by F-terms from an interplay between non-perturbative effects and the leading {alpha}'-correction - allows for a more general parametric understanding of the existence of de Sitter vacua. The result is a condition on the values of the flux induced superpotential and the topological data of the Calabi-Yau compactification, which guarantees the existence of a meta-stable de Sitter vacuum if met. Our analysis explicitly includes the stabilization of all moduli, i.e. the Kaehler, dilaton and complex structure moduli, by the interplay of the leading perturbative and non-perturbative effects at parametrically large volume. (orig.)

Sufficient and Necessary Condition to Decide Compatibility for a Class of Interorganizational Workflow Nets

Directory of Open Access Journals (Sweden)

Guanjun Liu

2015-01-01

Full Text Available Interorganizational Workflow nets (IWF-nets can well model many concurrent systems such as web service composition, in which multiple processes interact via sending/receiving messages. Compatibility of IWF-nets is a crucial criterion for the correctness of these systems. It guarantees that a system has no deadlock, livelock, or dead tasks. In our previous work we proved that the compatibility problem is PSPACE-complete for safe IWF-nets. This paper defines a subclass of IWF-nets that can model many cases about interactions. Necessary and sufficient condition is presented to decide their compatibility, and it depends on the net structures only. Finally, an algorithm is developed based on the condition.

On the sufficient conditions of the localization of the Fourier-Laplace series of distributions from liouville classes

International Nuclear Information System (INIS)

Ahmedov, Anvarjon A; Nurullah bin Rasedee, Ahmad Fadly; Rakhimov, Abdumalik

2013-01-01

In this work we investigate the localization principle of the Fourier-Laplace series of the distribution. Here we prove the sufficient conditions of the localization of the Riesz means of the spectral expansions of the Laplace-Beltrami operator on the unit sphere.

Sufficient condition for generation of multiple solidification front in one-dimensional solidification of binary alloys

International Nuclear Information System (INIS)

Bobula, E.; Kalicka, Z.

1981-10-01

In the paper we consider the one-dimensional solidification of binary alloys in the finite system. The authors present the sufficient condition for solidification in the liquid in front of the moving solid-liquid interface. The effect may produce a fluctuating concentration distributin in the solid. The convection in the liquid and supercooling required for homogeneous nucleation are omitted. A local-equilibrium approximation at the liquid-solid interface is supposed. (author)

Dissociation of conditioned taste avoidance from conditioned disgust reactions induced by wheel running in rats.

Science.gov (United States)

Grant, Virginia L; McDonald, Sarah V; Sheppard, Robyn C; Caldwell, Catherine L; Heeley, Thomas H; Brown, Adam R; Martin, Gerard M

2012-06-01

It is well established that wheel running in rats produces conditioned taste avoidance; that is, rats that run in wheels after consuming a novel-tasting solution later consume less of that solution than rats that do not run. In experiment 1, we found that wheel running also produces conditioned disgust reactions, indicated by gapes elicited by both the taste and context that were experienced before running. Experiment 2 showed that the conditioned disgust reactions were likely not due to running itself but to a by-product of running, the rocking of the wheel that occurs when the running stops. When rocking was reduced, the disgust reactions were also reduced, but consumption of the taste solution was not changed, showing dissociation of conditioned taste avoidance and disgust. These findings indicate that the taste avoidance induced by wheel running itself is more like the taste avoidance produced by rewarding drugs than that produced by nausea-inducing drugs. Crown Copyright © 2012. Published by Elsevier B.V. All rights reserved.

Global exponential stability and periodicity of reaction-diffusion recurrent neural networks with distributed delays and Dirichlet boundary conditions

International Nuclear Information System (INIS)

Lu Junguo; Lu Linji

2009-01-01

In this paper, global exponential stability and periodicity of a class of reaction-diffusion recurrent neural networks with distributed delays and Dirichlet boundary conditions are studied by constructing suitable Lyapunov functionals and utilizing some inequality techniques. We first prove global exponential convergence to 0 of the difference between any two solutions of the original neural networks, the existence and uniqueness of equilibrium is the direct results of this procedure. This approach is different from the usually used one where the existence, uniqueness of equilibrium and stability are proved in two separate steps. Secondly, we prove periodicity. Sufficient conditions ensuring the existence, uniqueness, and global exponential stability of the equilibrium and periodic solution are given. These conditions are easy to verify and our results play an important role in the design and application of globally exponentially stable neural circuits and periodic oscillatory neural circuits.

Tem holder for sample transfer under reaction conditions

DEFF Research Database (Denmark)

Damsgaard, Christian Danvad; Zandbergen, Henny W.; Wagner, Jakob Birkedal

Environmental transmission electron microscopy (ETEM) studies are usually performed using conventional sample holders in a dedicated ETEM [1] or in a traditional TEM by use of a dedicated high-pressure cell sample holder [2]. In both cases, the setup defines the conditions regarding gas, pressure......]. Furthermore, dedicated transfer holders have been used to transfer catalyst samples between reactor set-ups and TEM at room temperature in inert atmosphere [5]. To take the full advantage of complementary in situ techniques, transfer under reactions conditions is essential. This study introduces the in situ...... transfer concept by use of a dedicated TEM transfer holder capable of enclosing the sample in a gaseous environment at temperatures up to approx. 900C. By oxidation and reduction experiments of Cu nanoparticles it is shown possible to keep the reaction conditions during transfer outside the microscope...

Comparison of methods for calculating conditional expectations of sufficient statistics for continuous time Markov chains

DEFF Research Database (Denmark)

Tataru, Paula Cristina; Hobolth, Asger

2011-01-01

past evolutionary events (exact times and types of changes) are unaccessible and the past must be inferred from DNA sequence data observed in the present. RESULTS: We describe and implement three algorithms for computing linear combinations of expected values of the sufficient statistics, conditioned......BACKGROUND: Continuous time Markov chains (CTMCs) is a widely used model for describing the evolution of DNA sequences on the nucleotide, amino acid or codon level. The sufficient statistics for CTMCs are the time spent in a state and the number of changes between any two states. In applications...... of the algorithms is available at www.birc.au.dk/~paula/. CONCLUSIONS: We use two different models to analyze the accuracy and eight experiments to investigate the speed of the three algorithms. We find that they have similar accuracy and that EXPM is the slowest method. Furthermore we find that UNI is usually...

Photogeochemical reactions of manganese under anoxic conditions

Science.gov (United States)

Liu, W.; Yee, N.; Piotrowiak, P.; Falkowski, P. G.

2017-12-01

Photogeochemistry describes reactions involving light and naturally occurring chemical species. These reactions often involve a photo-induced electron transfer that does not occur in the absence of light. Although photogeochemical reactions have been known for decades, they are often ignored in geochemical models. In particular, reactions caused by UV radiation during an ozone free early Earth could have influenced the available oxidation states of manganese. Manganese is one of the most abundant transition metals in the crust and is important in both biology and geology. For example, the presence of manganese (VI) oxides in the geologic record has been used as a proxy for oxygenic photosynthesis; however, we suggest that the high oxidation state of Mn can be produced abiotically by photochemical reactions. Aqueous solutions of manganese (II) as well as suspensions of rhodochrosite (MnCO3) were irradiated under anoxic condition using a 450 W mercury lamp and custom built quartz reaction vessels. The photoreaction of the homogeneous solution of Mn(II) produced H2 gas and akhtenskite (ɛ-MnO2) as the solid product . This product is different than the previously identified birnessite. The irradiation of rhodochrosite suspensions also produced H2 gas and resulted in both a spectral shift as well as morphology changes of the mineral particles in the SEM images. These reactions offer alternative, abiotic pathways for the formation of manganese oxides.

Necessary and sufficient conditions for R₀ to be a sum of contributions of fertility loops.

Science.gov (United States)

Rueffler, Claus; Metz, Johan A J

2013-03-01

Recently, de-Camino-Beck and Lewis (Bull Math Biol 69:1341-1354, 2007) have presented a method that under certain restricted conditions allows computing the basic reproduction ratio R₀ in a simple manner from life cycle graphs, without, however, giving an explicit indication of these conditions. In this paper, we give various sets of sufficient and generically necessary conditions. To this end, we develop a fully algebraic counterpart of their graph-reduction method which we actually found more useful in concrete applications. Both methods, if they work, give a simple algebraic formula that can be interpreted as the sum of contributions of all fertility loops. This formula can be used in e.g. pest control and conservation biology, where it can complement sensitivity and elasticity analyses. The simplest of the necessary and sufficient conditions is that, for irreducible projection matrices, all paths from birth to reproduction have to pass through a common state. This state may be visible in the state representation for the chosen sampling time, but the passing may also occur in between sampling times, like a seed stage in the case of sampling just before flowering. Note that there may be more than one birth state, like when plants in their first year can already have different sizes at the sampling time. Also the common state may occur only later in life. However, in all cases R₀ allows a simple interpretation as the expected number of new individuals that in the next generation enter the common state deriving from a single individual in this state. We end with pointing to some alternative algebraically simple quantities with properties similar to those of R₀ that may sometimes be used to good effect in cases where no simple formula for R₀ exists.

Critical ignition conditions in exothermically reacting systems: first-order reactions

Science.gov (United States)

Filimonov, Valeriy Yu.

2017-10-01

In this paper, the comparative analysis of the thermal explosion (TE) critical conditions on the planes temperature-conversion degree and temperature-time was conducted. It was established that the ignition criteria are almost identical only at relatively small values of Todes parameter. Otherwise, the results of critical conditions analysis on the plane temperature-conversion degree may be wrong. The asymptotic method of critical conditions calculation for the first-order reactions was proposed (taking into account the reactant consumption). The degeneration conditions of TE were determined. The calculation of critical conditions for specific first-order reaction was made. The comparison of the analytical results obtained with the results of numerical calculations and experimental data showed that they are in good agreement.

Critical ignition conditions in exothermically reacting systems: first-order reactions.

Science.gov (United States)

Filimonov, Valeriy Yu

2017-10-01

In this paper, the comparative analysis of the thermal explosion (TE) critical conditions on the planes temperature-conversion degree and temperature-time was conducted. It was established that the ignition criteria are almost identical only at relatively small values of Todes parameter. Otherwise, the results of critical conditions analysis on the plane temperature-conversion degree may be wrong. The asymptotic method of critical conditions calculation for the first-order reactions was proposed (taking into account the reactant consumption). The degeneration conditions of TE were determined. The calculation of critical conditions for specific first-order reaction was made. The comparison of the analytical results obtained with the results of numerical calculations and experimental data showed that they are in good agreement.

Sufficient conditions for Hadamard well-posedness of a coupled thermo-chemo-poroelastic system

Directory of Open Access Journals (Sweden)

Tetyana Malysheva

2016-01-01

Full Text Available This article addresses the well-posedness of a coupled parabolic-elliptic system modeling fully coupled thermal, chemical, hydraulic, and mechanical processes in porous formations that impact drilling and borehole stability. The underlying thermo-chemo-poroelastic model is a system of time-dependent parabolic equations describing thermal, solute, and fluid diffusions coupled with Navier-type elliptic equations that attempt to capture the elastic behavior of rock around a borehole. An existence and uniqueness theory for a corresponding initial-boundary value problem is an open problem in the field. We give sufficient conditions for the well-posedness in the sense of Hadamard of a weak solution to a fully coupled parabolic-elliptic initial-boundary value problem describing homogeneous and isotropic media.

Influence of Reaction Conditions on Lignin Hydrothermal Treatment

Energy Technology Data Exchange (ETDEWEB)

Erdocia, Xabier; Prado, Raquel; Corcuera, M. Ángeles; Labidi, Jalel, E-mail: jalel.labidi@ehu.es [Chemical and Environmental Engineering Department, University of the Basque Country, San Seabastian (Spain)

2014-04-01

Organosolv lignin, obtained from olive tree pruning under optimized conditions, was subjected to a hydrothermal depolymerization process catalyzed by sodium hydroxide. The depolymerization of lignin was carried out at 300°C using different reaction times (20, 40, 60, 70, 80, 90, and 100 min) in order to study the influence of this parameter on lignin depolymerization. The resulting products (oil and residual lignin) were measured and analyzed by different techniques (GC/MS, high-performance size-exclusion chromatography, and pyrolysis–GC/MS) in order to determine their nature and composition. Coke was also formed, at a lower quantity, uncompetitive repolymerization reactions during the lignin hydrothermal treatment. The maximum oil yield and concentration of monomeric phenolic compounds was obtained after 80 min of reaction time. The highest reaction time studied (100 min) had the worst results with the lowest oil yield and highest coke production.

Pathways of the Maillard reaction under physiological conditions.

Science.gov (United States)

Henning, Christian; Glomb, Marcus A

2016-08-01

Initially investigated as a color formation process in thermally treated foods, nowadays, the relevance of the Maillard reaction in vivo is generally accepted. Many chronic and age-related diseases such as diabetes, uremia, atherosclerosis, cataractogenesis and Alzheimer's disease are associated with Maillard derived advanced glycation endproducts (AGEs) and α-dicarbonyl compounds as their most important precursors in terms of reactivity and abundance. However, the situation in vivo is very challenging, because Maillard chemistry is paralleled by enzymatic reactions which can lead to both, increases and decreases in certain AGEs. In addition, mechanistic findings established under the harsh conditions of food processing might not be valid under physiological conditions. The present review critically discusses the relevant α-dicarbonyl compounds as central intermediates of AGE formation in vivo with a special focus on fragmentation pathways leading to formation of amide-AGEs.

Heterocyclization reaction of 4-(2-Methylaziridin-1-yl)-3-ureidobenzotrifluorides under appel's conditions

International Nuclear Information System (INIS)

Cho, Hyun In; Lee, Kee Jung

2003-01-01

The reaction of 4-(2-Methylaziridin-1-yl)-3-ureidobenzotrifluorides 4 with triphenylphosphine, carbon tetrachloride, and triethylamine (Appel's condition) led to the corresponding carbodiimides 5, which underwent intramolecular cycloaddition reaction with aziridine under the reaction condition to give the benzimidazole-fused heterocycles, 2.3-dihydro-1H-imidazo(1,2-a)benzimidazoles 8 and 12,13-dihydro-5H-benzimidazo(2,3-b)(1,3)benzodizzepines 9

DYNAMIC SUFFICIENCY OF THE MAGNETICALLY SUSPENDED TRAIN

Directory of Open Access Journals (Sweden)

V. A. Polyakov

2013-11-01

Full Text Available Purpose. The basic criterion of the magnetically suspended train's consumer estimation is a quality of its mechanical motion. This motion is realized in unpredictable conditions and, for purposefulness preservation, should adapt to them. Such adaptation is possible only within the limits of system’s dynamic sufficiency. Sufficiency is understood as presence at system of resources, which allow one to realize its demanded motions without violating actual restrictions. Therefore presence of such resources is a necessary condition of preservation of required purposefulness of train's dynamics, and verification of the mentioned sufficiency is the major component of this dynamic research. Methodology. Methods of the set theory are used in work. Desirable and actual approachability spaces of the train are found. The train is considered dynamically sufficient in zones of the specified spaces overlapping. Findings. Within the limits of the accepted treatment of train's dynamic sufficiency, verification of its presence, as well as a stock (or deficiency of preservations can be executed by the search and the subsequent estimation of such overlapping zones. Operatively (directly during motion it can be realized on the train's ODC with use, for example, of computer mathematics system Mathematica. It possesses extensive opportunities of highly efficient and, at the same time, demanding an expense concerning small resources information manipulation. The efficiency of using of created technique is illustrated on an example of vehicle's acceleration research. Calculation is executed with use of the constructed computer model of interaction of an independent traction electromagnetic subsystem of an artifact with its mechanical subsystem. Originality. The technique of verification of the high-speed magnetically suspended train's dynamic sufficiency is developed. The technique is highly efficient, it provides sufficient presentation and demands an expense of the

Comparison of methods for calculating conditional expectations of sufficient statistics for continuous time Markov chains.

Science.gov (United States)

Tataru, Paula; Hobolth, Asger

2011-12-05

Continuous time Markov chains (CTMCs) is a widely used model for describing the evolution of DNA sequences on the nucleotide, amino acid or codon level. The sufficient statistics for CTMCs are the time spent in a state and the number of changes between any two states. In applications past evolutionary events (exact times and types of changes) are unaccessible and the past must be inferred from DNA sequence data observed in the present. We describe and implement three algorithms for computing linear combinations of expected values of the sufficient statistics, conditioned on the end-points of the chain, and compare their performance with respect to accuracy and running time. The first algorithm is based on an eigenvalue decomposition of the rate matrix (EVD), the second on uniformization (UNI), and the third on integrals of matrix exponentials (EXPM). The implementation in R of the algorithms is available at http://www.birc.au.dk/~paula/. We use two different models to analyze the accuracy and eight experiments to investigate the speed of the three algorithms. We find that they have similar accuracy and that EXPM is the slowest method. Furthermore we find that UNI is usually faster than EVD.

Integrating reaction and analysis: investigation of higher-order reactions by cryogenic trapping

Directory of Open Access Journals (Sweden)

Skrollan Stockinger

2013-09-01

Full Text Available A new approach for the investigation of a higher-order reaction by on-column reaction gas chromatography is presented. The reaction and the analytical separation are combined in a single experiment to investigate the Diels–Alder reaction of benzenediazonium-2-carboxylate as a benzyne precursor with various anthracene derivatives, i.e. anthracene, 9-bromoanthracene, 9-anthracenecarboxaldehyde and 9-anthracenemethanol. To overcome limitations of short reaction contact times at elevated temperatures a novel experimental setup was developed involving a cooling trap to achieve focusing and mixing of the reactants at a defined spot in a fused-silica capillary. This trap functions as a reactor within the separation column in the oven of a gas chromatograph. The reactants are sequentially injected to avoid undefined mixing in the injection port. An experimental protocol was developed with optimized injection intervals and cooling times to achieve sufficient conversions at short reaction times. Reaction products were rapidly identified by mass spectrometric detection. This new approach represents a practical procedure to investigate higher-order reactions at an analytical level and it simultaneously provides valuable information for the optimization of the reaction conditions.

Reaction progress pathways for glass and spent fuel under unsaturated conditions

International Nuclear Information System (INIS)

Bates, J.; Finn, P.; Bourcier, W.; Stout, R.

1994-10-01

The source term for the release of radionuclides from a nuclear waste repository is the waste form. In order to assess the performance of the repository and the engineered barrier system (EBS) compared to regulations established by the Nuclear Regulatory Commission and the Environmental Protection Agency it is necessary (1) to use available data to place bounding limits on release rates from the EBS, and (2) to develop a mechanistic predictive model of the radionuclide release and validate the model against tests done under a variety of different potential reaction conditions. The problem with (1) is that there is little experience to use when evaluating waste form reaction under unsaturated conditions such that errors in applying expert judgment to the problem may be significant. The second approach, to test and model the waste form reaction, is a more defensible means of providing input to the prediction of radionuclide release. In this approach, information related to the source term has a technical basis and provides a starting point to make reasonable assumptions for long-term behavior. Key aspects of this approach are an understanding of the reaction progress mechanism and the ability to model the tests using a geochemical code such as EQ3/6. Current knowledge of glass, UO 2 , and spent fuel reactions under different conditions are described below

On Some Sufficiency-Type Stability and Linear State-Feedback Stabilization Conditions for a Class of Multirate Discrete-Time Systems

Directory of Open Access Journals (Sweden)

M. De la Sen

2018-05-01

Full Text Available This paper presents and discusses the stability of a discrete multirate sampling system whose sets of sampling rates (or sampling periods are the integer multiple of those operating on all the preceding substates. Each of such substates is associated with a particular sampling rate. The sufficiency-type stability conditions are derived based on simple conditions on the norm, spectral radius and numerical radius of the matrix of the dynamics of a system parameterized at the largest sampling period.

Necessary and Sufficient Conditions for Pareto Optimality in Infinite Horizon Cooperative Differential Games - Replaced by CentER DP 2011-041

NARCIS (Netherlands)

Reddy, P.V.; Engwerda, J.C.

2010-01-01

In this article we derive necessary and sufficient conditions for the existence of Pareto optimal solutions for an N player cooperative infinite horizon differential game. Firstly, we write the problem of finding Pareto candidates as solving N constrained optimal control subproblems. We derive some

Comparison of methods for calculating conditional expectations of sufficient statistics for continuous time Markov chains

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Tataru Paula

2011-12-01

Full Text Available Abstract Background Continuous time Markov chains (CTMCs is a widely used model for describing the evolution of DNA sequences on the nucleotide, amino acid or codon level. The sufficient statistics for CTMCs are the time spent in a state and the number of changes between any two states. In applications past evolutionary events (exact times and types of changes are unaccessible and the past must be inferred from DNA sequence data observed in the present. Results We describe and implement three algorithms for computing linear combinations of expected values of the sufficient statistics, conditioned on the end-points of the chain, and compare their performance with respect to accuracy and running time. The first algorithm is based on an eigenvalue decomposition of the rate matrix (EVD, the second on uniformization (UNI, and the third on integrals of matrix exponentials (EXPM. The implementation in R of the algorithms is available at http://www.birc.au.dk/~paula/. Conclusions We use two different models to analyze the accuracy and eight experiments to investigate the speed of the three algorithms. We find that they have similar accuracy and that EXPM is the slowest method. Furthermore we find that UNI is usually faster than EVD.

Reactions of animals and people under conditions of brief weightlessness

Science.gov (United States)

Kitayev-Smik, L. A.

1975-01-01

It has been shown that under brief weightlessness sensory reactions arise in a number of people, mainly those under these conditions for the first time, in the form of spatial and visual illusions, motor excitation, in which tonic and motor components can be distinguished, and vestibular-vegetative disturbances (nausea, vomiting, etc.). In repeated flights with creation of weightlessness, a decrease in the extent of expression and, then, disappearance of these reactions occurred in a significant majority of those studied. Experiments in weightlessness with the vision cut off and with the absence of vestibular functions in the subjects confirm the hypothesis that spatial conceptions of people in weightlessness depend on predominance of gravireceptor or visual afferent signals under these conditions.

Sufficient conditions for optimality for a mathematical model of drug treatment with pharmacodynamics

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Maciej Leszczyński

2017-01-01

Full Text Available We consider an optimal control problem for a general mathematical model of drug treatment with a single agent. The control represents the concentration of the agent and its effect (pharmacodynamics is modelled by a Hill function (i.e., Michaelis-Menten type kinetics. The aim is to minimize a cost functional consisting of a weighted average related to the state of the system (both at the end and during a fixed therapy horizon and to the total amount of drugs given. The latter is an indirect measure for the side effects of treatment. It is shown that optimal controls are continuous functions of time that change between full or no dose segments with connecting pieces that take values in the interior of the control set. Sufficient conditions for the strong local optimality of an extremal controlled trajectory in terms of the existence of a solution to a piecewise defined Riccati differential equation are given.

Achieving Chemical Equilibrium: The Role of Imposed Conditions in the Ammonia Formation Reaction

Science.gov (United States)

Tellinghuisen, Joel

2006-01-01

Under conditions of constant temperature T and pressure P, chemical equilibrium occurs in a closed system (fixed mass) when the Gibbs free energy G of the reaction mixture is minimized. However, when chemical reactions occur under other conditions, other thermodynamic functions are minimized or maximized. For processes at constant T and volume V,…

Necessary and sufficient conditions for non-perturbative equivalences of large Nc orbifold gauge theories

International Nuclear Information System (INIS)

Kovtun, Pave; Uensal, Mithat; Yaffe, Laurence G.

2005-01-01

Large N coherent state methods are used to study the relation between U(N c ) gauge theories containing adjoint representation matter fields and their orbifold projections. The classical dynamical systems which reproduce the large N c limits of the quantum dynamics in parent and daughter orbifold theories are compared. We demonstrate that the large N c dynamics of the parent theory, restricted to the subspace invariant under the orbifold projection symmetry, and the large N c dynamics of the daughter theory, restricted to the untwisted sector invariant under 'theory space' permutations, coincide. This implies equality, in the large N c limit, between appropriately identified connected correlation functions in parent and daughter theories, provided the orbifold projection symmetry is not spontaneously broken in the parent theory and the theory space permutation symmetry is not spontaneously broken in the daughter. The necessity of these symmetry realization conditions for the validity of the large N c equivalence is unsurprising, but demonstrating the sufficiency of these conditions is new. This work extends an earlier proof of non-perturbative large N c equivalence which was only valid in the phase of the (lattice regularized) theories continuously connected to large mass and strong coupling

Nonlinear reaction-diffusion systems conditional symmetry, exact solutions and their applications in biology

CERN Document Server

Cherniha, Roman

2017-01-01

This book presents several fundamental results in solving nonlinear reaction-diffusion equations and systems using symmetry-based methods. Reaction-diffusion systems are fundamental modeling tools for mathematical biology with applications to ecology, population dynamics, pattern formation, morphogenesis, enzymatic reactions and chemotaxis. The book discusses the properties of nonlinear reaction-diffusion systems, which are relevant for biological applications, from the symmetry point of view, providing rigorous definitions and constructive algorithms to search for conditional symmetry (a nontrivial generalization of the well-known Lie symmetry) of nonlinear reaction-diffusion systems. In order to present applications to population dynamics, it focuses mainly on two- and three-component diffusive Lotka-Volterra systems. While it is primarily a valuable guide for researchers working with reaction-diffusion systems  and those developing the theoretical aspects of conditional symmetry conception,...

Necessary and Sufficient Conditions for the Existence of Positive Solution for Singular Boundary Value Problems on Time Scales

Directory of Open Access Journals (Sweden)

Zhang Xuemei

2009-01-01

Full Text Available By constructing available upper and lower solutions and combining the Schauder's fixed point theorem with maximum principle, this paper establishes sufficient and necessary conditions to guarantee the existence of as well as positive solutions for a class of singular boundary value problems on time scales. The results significantly extend and improve many known results for both the continuous case and more general time scales. We illustrate our results by one example.

Artificial Self-Sufficient P450 in Reversed Micelles

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Teruyuki Nagamune

2010-04-01

Full Text Available Cytochrome P450s are heme-containing monooxygenases that require electron transfer proteins for their catalytic activities. They prefer hydrophobic compounds as substrates and it is, therefore, desirable to perform their reactions in non-aqueous media. Reversed micelles can stably encapsulate proteins in nano-scaled water pools in organic solvents. However, in the reversed micellar system, when multiple proteins are involved in a reaction they can be separated into different micelles and it is then difficult to transfer electrons between proteins. We show here that an artificial self-sufficient cytochrome P450, which is an enzymatically crosslinked fusion protein composed of P450 and electron transfer proteins, showed micelle-size dependent catalytic activity in a reversed micellar system. Furthermore, the presence of thermostable alcohol dehydrogenase promoted the P450-catalyzed reaction due to cofactor regeneration.

A computational approach to extinction events in chemical reaction networks with discrete state spaces.

Science.gov (United States)

Johnston, Matthew D

2017-12-01

Recent work of Johnston et al. has produced sufficient conditions on the structure of a chemical reaction network which guarantee that the corresponding discrete state space system exhibits an extinction event. The conditions consist of a series of systems of equalities and inequalities on the edges of a modified reaction network called a domination-expanded reaction network. In this paper, we present a computational implementation of these conditions written in Python and apply the program on examples drawn from the biochemical literature. We also run the program on 458 models from the European Bioinformatics Institute's BioModels Database and report our results. Copyright © 2017 Elsevier Inc. All rights reserved.

Apparent tunneling in chemical reactions

DEFF Research Database (Denmark)

Henriksen, Niels Engholm; Hansen, Flemming Yssing; Billing, G. D.

2000-01-01

A necessary condition for tunneling in a chemical reaction is that the probability of crossing a barrier is non-zero, when the energy of the reactants is below the potential energy of the barrier. Due to the non-classical nature (i.e, momentum uncertainty) of vibrational states this is, however......, not a sufficient condition in order to establish genuine tunneling as a result of quantum dynamics. This proposition is illustrated for a two-dimensional model potential describing dissociative sticking of N-2 on Ru(s). It is suggested that the remarkable heavy atom tunneling, found in this system, is related...

Instability induced by cross-diffusion in reaction-diffusion systems

DEFF Research Database (Denmark)

Tian, Canrong; Lin, Zhigui; Pedersen, Michael

2010-01-01

In this paper the instability of the uniform equilibrium of a general strongly coupled reaction–diffusion is discussed. In unbounded domain and bounded domain the sufficient conditions for the instability are obtained respectively. The conclusion is applied to the ecosystem, it is shown that cros...... can induce the instability of an equilibrium which is stable for the kinetic system and for the self-diffusion–reaction system.......In this paper the instability of the uniform equilibrium of a general strongly coupled reaction–diffusion is discussed. In unbounded domain and bounded domain the sufficient conditions for the instability are obtained respectively. The conclusion is applied to the ecosystem, it is shown that cross-diffusion...

Role of exponential type random invexities for asymptotically sufficient efficiency conditions in semi-infinite multi-objective fractional programming.

Science.gov (United States)

Verma, Ram U; Seol, Youngsoo

2016-01-01

First a new notion of the random exponential Hanson-Antczak type [Formula: see text]-V-invexity is introduced, which generalizes most of the existing notions in the literature, second a random function [Formula: see text] of the second order is defined, and finally a class of asymptotically sufficient efficiency conditions in semi-infinite multi-objective fractional programming is established. Furthermore, several sets of asymptotic sufficiency results in which various generalized exponential type [Formula: see text]-V-invexity assumptions are imposed on certain vector functions whose components are the individual as well as some combinations of the problem functions are examined and proved. To the best of our knowledge, all the established results on the semi-infinite aspects of the multi-objective fractional programming are new, which is a significantly new emerging field of the interdisciplinary research in nature. We also observed that the investigated results can be modified and applied to several special classes of nonlinear programming problems.

Silica Gel-Mediated Organic Reactions under Organic Solvent-Free Conditions

Directory of Open Access Journals (Sweden)

Satoaki Onitsuka

2012-09-01

Full Text Available Silica gel was found to be an excellent medium for some useful organic transformations under organic solvent-free conditions, such as (1 the Friedel-Crafts-type nitration of arenes using commercial aqueous 69% nitric acid alone at room temperature, (2 one-pot Wittig-type olefination of aldehydes with activated organic halides in the presence of tributyl- or triphenylphosphine and Hunig’s base, and (3 the Morita-Baylis-Hillman reaction of aldehydes with methyl acrylate. After the reactions, the desired products were easily obtained in good to excellent yields through simple manipulation.

Biogeochemical Reactions Under Simulated Europa Ocean Conditions

Science.gov (United States)

Amashukeli, X.; Connon, S. A.; Gleeson, D. F.; Kowalczyk, R. S.; Pappalardo, R. T.

2007-12-01

Galileo data have demonstrated the probable presence of a liquid water ocean on Europa, and existence of salts and carbon dioxide in the satellite's surface ice (e.g., Carr et al., 1998; McCord et al., 1999, Pappalardo et al., 1999; Kivelson et al., 2000). Subsequently, the discovery of chemical signatures of extinct or extant life in Europa's ocean and on its surface became a distinct possibility. Moreover, understanding of Europa's potential habitability is now one of the major goals of the Europa Orbiter Flagship mission. It is likely, that in the early stages of Europa's ocean formation, moderately alkaline oceanic sulfate-carbonate species and a magnetite-silicate mantel could have participated in low-temperature biogeochemical sulfur, iron and carbon cycles facilitated by primitive organisms (Zolotov and Shock, 2004). If periodic supplies of fresh rock and sulfate-carbonate ions are available in Europa's ocean, then an exciting prospect exists that life may be present in Europa's ocean today. In our laboratory, we began the study of the plausible biogeochemical reactions under conditions appropriate to Europa's ocean using barophilic psychrophilic organisms that thrive under anaerobic conditions. In the near absence of abiotic synthetic pathways due to low Europa's temperatures, the biotic synthesis may present a viable opportunity for the formation of the organic and inorganic compounds under these extreme conditions. This work is independent of assumptions regarding hydrothermal vents at Europa's ocean floor or surface-derived oxidant sources. For our studies, we have fabricated a high-pressure (5,000 psi) reaction vessel that simulates aqueous conditions on Europa. We were also successful at reviving barophilic psychrophilic strains of Shewanella bacterium, which serve as test organisms in this investigation. Currently, facultative barophilic psychrophilic stains of Shewanella are grown in the presence of ferric food source; the strains exhibiting iron

Reactions of stabilized Criegee Intermediates

Science.gov (United States)

Vereecken, Luc; Harder, Hartwig; Novelli, Anna

2014-05-01

Carbonyl oxides (Criegee intermediates) were proposed as key intermediates in the gas phase ozonolysis of alkenes in 1975 by Rudolf Criegee. Despite the importance of ozonolysis in atmospheric chemistry, direct observation of these intermediates remained elusive, with only indirect experimental evidence for their role in the oxidation of hydrocarbons, e.g. through scavenging experiments. Direct experimental observation of stabilized CI has only been achieved since 2008. Since then, a concerted effort using experimental and theoretical means is in motion to characterize the chemistry and kinetics of these reactive intermediates. We present the results of theoretical investigations of the chemistry of Criegee intermediates with a series of coreactants which may be of importance in the atmosphere, in experimental setups, or both. This includes the CI+CI cross-reaction, which proceeds with a rate coefficient near the collision limit and can be important in experimental conditions. The CI + alkene reactions show strong dependence of the rate coefficient depending on the coreactants, but is generally found to be rather slow. The CI + ozone reaction is sufficiently fast to occur both in experiment and the free troposphere, and acts as a sink for CI. The reaction of CI with hydroperoxides, ROOH, is complex, and leads both to the formation of oligomers, as to the formation of reactive etheroxides, with a moderately fast rate coefficient. The importance of these reactions is placed in the context of the reaction conditions in different atmospheric environments ranging from unpolluted to highly polluted.

Necessary and Sufficient Conditions for the Existence of Positive Solution for Singular Boundary Value Problems on Time Scales

Directory of Open Access Journals (Sweden)

Meiqiang Feng

2009-01-01

Full Text Available By constructing available upper and lower solutions and combining the Schauder's fixed point theorem with maximum principle, this paper establishes sufficient and necessary conditions to guarantee the existence of Cld[0,1]𝕋 as well as CldΔ[0,1]𝕋 positive solutions for a class of singular boundary value problems on time scales. The results significantly extend and improve many known results for both the continuous case and more general time scales. We illustrate our results by one example.

Conditions sufficient for the production of oral cocaine or lidocaine self-administration in preference to water.

Science.gov (United States)

Falk, J L; Siris, A; Lau, C E

1996-03-01

Groups of rats were given a chronic history of drinking cocaine solutions of different concentrations in daily, 3-h schedule induced polydipsia sessions. Animals failed to develop a preference for cocaine solution to concurrently presented water. Schedule-induction conditions were maintained, and the animals were divided into separate groups, drinking either cocaine or lidocaine placed in a highly acceptable vehicle (glucose-saccharin solution). Animals preferred their respective drug solutions to concurrently presented water, and these preferences remained stable after the glucose-saccharin vehicle was gradually faded to water, leaving only cocaine or lidocaine, respectively, in the solution. Thus a stable preference for drug solution to water could be instituted in rats for either cocaine or lidocaine solution (putative reinforcing and nonreinforcing agents, respectively) given an appropriate associative history, with high intakes maintained by schedule-induction. Conditions sufficient for the initiation of an oral preference and high intake for a putatively reinforcing drug cannot be assumed to occur owing to the drug's reinforcing property in the absence of demonstrating the ineffectiveness of an appropriate negative control substance.

Necessary and sufficient conditions for big bangs, bounces, crunches, rips, sudden singularities and extremality events

International Nuclear Information System (INIS)

Cattoen, Celine; Visser, Matt

2005-01-01

Until recently, the physically relevant singularities occurring in FRW cosmologies had traditionally been thought to be limited to the 'big bang', and possibly a 'big crunch'. However, over the last few years, the zoo of cosmological singularities considered in the literature has become considerably more extensive, with 'big rips' and 'sudden singularities' added to the mix, as well as renewed interest in nonsingular cosmological events such as 'bounces' and 'turnarounds'. In this paper we present an extensive catalogue of such cosmological milestones, both at the kinematical and dynamical level. First, using generalized power series, purely kinematical definitions of these cosmological events are provided in terms of the behaviour of the scale factor a(t). The notion of a 'scale-factor singularity' is defined, and its relation to curvature singularities (polynomial and differential) is explored. Second, dynamical information is extracted by using the Friedmann equations (without assuming even the existence of any equation of state) to place constraints on whether or not the classical energy conditions are satisfied at the cosmological milestones. We use these considerations to derive necessary and sufficient conditions for the existence of cosmological milestones such as bangs, bounces, crunches, rips, sudden singularities and extremality events. Since the classification is extremely general and, modulo certain technical assumptions, is complete, the corresponding results are to a high degree model independent: in particular, we provide a characterization of the class of bangs, crunches and sudden singularities for which the dominant energy condition is satisfied

Characterization of reaction conditions providing rapid and specific cysteine alkylation for peptide-based mass spectrometry.

Science.gov (United States)

Paulech, Jana; Solis, Nestor; Cordwell, Stuart J

2013-01-01

Alkylation converts Cys thiols to thioethers and prevents unwanted side reactions, thus facilitating mass spectrometric identification of Cys-containing peptides. Alkylation occurs preferentially at Cys due to its high nucleophilicity, however reactions at other such sites are possible. N-ethylmaleimide (NEM) shows rapid reaction kinetics with Cys and careful definition of reaction conditions results in little reactivity at other sites. Analysis of a protein standard alkylated under differing reaction conditions (pH, NEM concentrations and reaction times) was performed using liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) and selected reaction monitoring (SRM) of NEM-modified and unmodified peptide pairs. Mis-alkylation sites at primary and secondary amines were identified and limited to one equivalent of NEM. No evidence for hydroxyl or thioether alkylation was observed. Improved specificity was achieved by restricting the pH below neutral, NEM concentration below 10mM and/or reaction time to below 5min. Maximal removal of Cys activity was observed in tissue homogenates at 40mM NEM within 1min, dependent upon efficient protein denaturation. SRM assays identified peptide-specific levels of mis-alkylation, indicating that NEM-modified to unmodified ratios did not exceed 10%, with the exception of Cys alkylation that proceeded to 100%, and some Lys residues that resulted in tryptic missed cleavages. High reactivity was observed for His residues considering their relatively low abundance. These data indicate that rapid and specific Cys alkylation is possible with NEM under relatively mild conditions, with more abrasive conditions leading to increased non-specific alkylation without appreciable benefit for MS-based proteomics. Copyright © 2012 Elsevier B.V. All rights reserved.

Global exponential stability of reaction-diffusion recurrent neural networks with time-varying delays

International Nuclear Information System (INIS)

Liang Jinling; Cao Jinde

2003-01-01

Employing general Halanay inequality, we analyze the global exponential stability of a class of reaction-diffusion recurrent neural networks with time-varying delays. Several new sufficient conditions are obtained to ensure existence, uniqueness and global exponential stability of the equilibrium point of delayed reaction-diffusion recurrent neural networks. The results extend and improve the earlier publications. In addition, an example is given to show the effectiveness of the obtained result

Safer operating conditions and optimal scaling-up process for cyclohexanone peroxide reaction

International Nuclear Information System (INIS)

Zang, Na; Qian, Xin-Ming; Liu, Zhen-Yi; Shu, Chi-Min

2015-01-01

Highlights: • Thermal hazard of cyclohexanone peroxide reaction was measured by experimental techniques. • Levenberg–Marquardt algorithm was adopted to evaluate kinetic parameters. • Safer operating conditions at laboratory scale were acquired by BDs and TDs. • The verified safer operating conditions were used to obtain the optimal scale-up parameters applied in industrial plants. - Abstract: The cyclohexanone peroxide reaction process, one of the eighteen hazardous chemical processes identified in China, is performed in indirectly cooled semibatch reactors. The peroxide reaction is added to a mixture of hydrogen peroxide and nitric acid, which form heterogeneous liquid–liquid systems. A simple and general procedure for building boundary and temperature diagrams of peroxide process is given here to account for the overall kinetic expressions. Such a procedure has been validated by comparison with experimental data. Thermally safer operating parameters were obtained at laboratory scale, and the scaled-up procedure was performed to give the minimum dosing time in an industrial plant, which is in favor of maximizing industrial reactor productivity. The results are of great significance for governing the peroxide reaction process apart from the thermal runaway region. It also greatly aids in determining optimization on operating parameters in industrial plants.

Sufficiency does energy consumption become a moral issue?

Energy Technology Data Exchange (ETDEWEB)

Muller, Adrian (Socio-economic Inst. and Univ. Research Priority Programme in Ethics, Univ. of Zuerich, Zuerich (Switzerland))

2009-07-01

Reducing the externalities from energy use is crucial for sustainability. There are basically four ways to reduce externalities from energy use: increasing technical efficiency ('energy input per unit energy service'), increasing economic efficiency ('internalising external costs'), using 'clean' energy sources with few externalities, or sufficiency ('identifying 'optimal' energy service levels'). A combination of those strategies is most promising for sustainable energy systems. However, the debate on sustainable energy is dominated by efficiency and clean energy strategies, while sufficiency plays a minor role. Efficiency and clean energy face several problems, though. Thus, the current debate should be complemented with a critical discussion of sufficiency. In this paper, I develop a concept of sufficiency, which is adequate for liberal societies. I focus on ethical foundations for sufficiency, as the discussion of such is missing or cursory only in the existing literature. I first show that many examples of sufficiency can be understood as (economic) efficiency, but that the two concepts do not coincide. I then show that sufficiency based on moralization of actions can be understood as implementation of the boundary conditions for social justice that come with notions of liberal societies, in particular the duty not to harm other people. By this, to increase sufficiency becomes a duty beyond individual taste. I further illustrate this in the context of the adverse effects of climate change as externalities from energy use.

The Theory of Thermodynamic Systems with Internal Variables of State: Necessary and Sufficient Conditions for Compliance with the Second Law of Thermodynamics

Science.gov (United States)

Shnip, A. I.

2018-01-01

Based on the entropy-free thermodynamic approach, a generalized theory of thermodynamic systems with internal variables of state is being developed. For the case of nonlinear thermodynamic systems with internal variables of state and linear relaxation, the necessary and sufficient conditions have been proved for fulfillment of the second law of thermodynamics in entropy-free formulation which, according to the basic theorem of the theory, are also necessary and sufficient for the existence of a thermodynamic potential. Moreover, relations of correspondence between thermodynamic systems with memory and systems with internal variables of state have been established, as well as some useful relations in the spaces of states of both types of systems.

Initial reaction between CaO and SO₂ under carbonating and non-carbonating conditions

DEFF Research Database (Denmark)

Rasmussen, Martin Hagsted; Wedel, Stig; Pedersen, Kim H.

2015-01-01

The initial kinetics of the CaO/SO2 reaction have been investigated for reaction times shorter than 1s and in the temperature interval between 450 and 600°C under both carbonating and non-carbonating conditions (0-20 vol% CO2) to clarify how recirculating CaO influences the emission of SO2 from...... showed that the CaO conversion with respect to SO2 declined when the CO2 concentration was increased. Under all conditions, larger specific surface areas of CaO gave higher reaction rates with SO2. Higher temperatures had a positive effect on the reaction between SO2 and CaO under non......-carbonating conditions, but no or even a negative effect under carbonating conditions. The results led to the conclusion that SO2 released from raw meal in the upper stages of the preheater does not to any significant extent react with CaO recirculating in the preheater tower....

On the enduring and substantial influence of Carl Rogers' not-quite necessary nor sufficient conditions.

Science.gov (United States)

Farber, Barry A

2007-09-01

Carl Rogers' 1957 paper (see record 2007-14639-002) is arguably the most successful of his many attempts to clarify and render testable the ideas behind client-centered therapy. While each of the conditions that Rogers postulated has been linked to positive therapeutic outcome, taken together they have never been conclusively proved (nor disproved) to be either necessary or sufficient for positive outcome. Nevertheless, the overriding "take-home" message in this classic paper--that the therapist's attitude and caring presence is critical for therapeutic success--is one that has had virtually unparalleled influence in every segment of the psychotherapeutic community. Clinical and theoretical innovations in the psychoanalytic community serve as examples of the following proposition: that Rogers' concepts, while accepted more than ever by a remarkably wide variety of psychotherapists, remain essentially unacknowledged as originating with him or in the tradition of humanistic and client-centered therapy. (PsycINFO Database Record (c) 2010 APA, all rights reserved).

Necessary and sufficient condition for distillability with unit fidelity from finite copies of a mixed state: The most efficient purification protocol

International Nuclear Information System (INIS)

Chen Pingxing; Liang Linmei; Li Chengzu; Huang Mingqiu

2002-01-01

It is well known that any entangled mixed state in 2x2 systems can be purified via infinite copies of the mixed state. But, can one distill a pure maximally entangled state from finite copies of a mixed state in any bipartite system by local operation and classical communication? This is more meaningful in practical application. We give a necessary and sufficient condition for this distillability. This condition requires that there exist distillable subspaces. According to this condition, one can judge easily whether a mixed state is distillable or not. We also analyze some properties of distillable subspaces, and discuss the most efficient purification protocol. Finally, we discuss the distillable enanglement of a two-qubit system for the case of finite copies

Stability analysis of impulsive fuzzy cellular neural networks with distributed delays and reaction-diffusion terms

International Nuclear Information System (INIS)

Li Zuoan; Li Kelin

2009-01-01

In this paper, we investigate a class of impulsive fuzzy cellular neural networks with distributed delays and reaction-diffusion terms. By employing the delay differential inequality with impulsive initial conditions and M-matrix theory, we find some sufficient conditions ensuring the existence, uniqueness and global exponential stability of equilibrium point for impulsive fuzzy cellular neural networks with distributed delays and reaction-diffusion terms. In particular, the estimate of the exponential converging index is also provided, which depends on the system parameters. An example is given to show the effectiveness of the results obtained here.

Sufficient Controllability Condition for Affine Systems with Two-Dimensional Control and Two-Dimensional Zero Dynamics

Directory of Open Access Journals (Sweden)

D. A. Fetisov

2015-01-01

Full Text Available The controllability conditions are well known if we speak about linear stationary systems: a linear stationary system is controllable if and only if the dimension of the state vector is equal to the rank of the controllability matrix. The concept of the controllability matrix is extended to affine systems, but relations between affine systems controllability and properties of this matrix are more complicated. Various controllability conditions are set for affine systems, but they deal as usual either with systems of some special form or with controllability in some small neighborhood of the concerned point. An affine system is known to be controllable if the system is equivalent to a system of a canonical form, which is defined and regular in the whole space of states. In this case, the system is said to be feedback linearizable in the space of states. However there are examples, which illustrate that a system can be controllable even if it is not feedback linearizable in any open subset in the space of states. In this article we deal with such systems.Affine systems with two-dimensional control are considered. The system in question is assumed to be equivalent to a system of a quasicanonical form with two-dimensional zero dynamics which is defined and regular in the whole space of states. Therefore the controllability of the original system is equivalent to the controllability of the received system of a quasicanonical form. In this article the sufficient condition for an available solution of the terminal problem is proven for systems of a quasicanonical form with two-dimensional control and two-dimensional zero dynamics. The condition is valid in the case of an arbitrary time interval and arbitrary initial and finite states of the system. Therefore the controllability condition is set for systems of a quasicanonical form with two-dimensional control and two-dimensional zero dynamics. An example is given which illustrates how the proved

Interface conditions for fast-reaction fronts in wet porous mineral materials: the case of concrete carbonation

NARCIS (Netherlands)

Muntean, A.; Böhm, M.

2009-01-01

Reaction–diffusion processes, where slow diffusion balances fast reaction, usually exhibit internal loci where the reactions are concentrated. Some modeling and simulation aspects of using kinetic free-boundary conditions to drive fast carbonation reaction fronts into unsaturated porous cement-based

Global exponential stability of fuzzy cellular neural networks with delays and reaction-diffusion terms

International Nuclear Information System (INIS)

Wang Jian; Lu Junguo

2008-01-01

In this paper, we study the global exponential stability of fuzzy cellular neural networks with delays and reaction-diffusion terms. By constructing a suitable Lyapunov functional and utilizing some inequality techniques, we obtain a sufficient condition for the uniqueness and global exponential stability of the equilibrium solution for a class of fuzzy cellular neural networks with delays and reaction-diffusion terms. The result imposes constraint conditions on the network parameters independently of the delay parameter. The result is also easy to check and plays an important role in the design and application of globally exponentially stable fuzzy neural circuits

Palladium(II-catalyzed Heck reaction of aryl halides and arylboronic acids with olefins under mild conditions

Directory of Open Access Journals (Sweden)

Tanveer Mahamadali Shaikh

2013-08-01

Full Text Available A series of general and selective Pd(II-catalyzed Heck reactions were investigated under mild reaction conditions. The first protocol has been developed employing an imidazole-based secondary phosphine oxide (SPO ligated palladium complex (6 as a precatalyst. The catalytic coupling of aryl halides and olefins led to the formation of the corresponding coupled products in excellent yields. A variety of substrates, both electron-rich and electron-poor olefins, were converted smoothly to the targeted products in high yields. Compared with the existing approaches employing SPO–Pd complexes in a Heck reaction, the current strategy features mild reaction conditions and broad substrate scope. Furthermore, we described the coupling of arylboronic acids with olefins, which were catalyzed by Pd(OAc2 and employed N-bromosuccinimide as an additive under ambient conditions. The resulted biaryls have been obtained in moderate to good yields.

Assessing the reaction conditions to mediate the milkfat-soybean oil enzymatic interesterification

Directory of Open Access Journals (Sweden)

Ariela Veloso de Paula

Full Text Available Summary A food grade lipase from Rhizopus oryzae immobilized on a hybrid polysiloxane-polyvinyl alcohol matrix (SiO2-PVA was used as the biocatalyst to mediate the interesterification reactions of a blend containing 65% milkfat and 35% soybean oil. All the reactions occurred in an inert nitrogen atmosphere in cylindrical glass reactors (80 mL with 40 g of the milkfat-soybean oil blend. The influence of the following variables was evaluated: biocatalyst loading (250-1500 activity units per gram of blend, biocatalyst moisture content (5-20%, temperature (45-60 °C and incubation time (2-48 h. The reactions were monitored by determining the free fatty acid content, triacylglycerol (TAGs composition in carbon species, and the consistency of the interesterified (IE products. The reaction conditions were set based on the parameters that provided a high interesterification yield and good consistency of the final product within the ideal range (200 to 800 gf cm-2. Hence the best results were obtained using a biocatalyst loading of 500 U g-1 of blend with 10% moisture content at 45 °C for 4 h. Under these conditions the consistency of the interesterified product was 539.7 ± 38 gf cm-2. The results demonstrated the potential of the immobilized lipase to alter the TAGs profile of the milkfat-soybean oil blend, allowing for the production of structured lipids.

A study on the reaction of Zircaloy-4 tube with hydrogen/steam mixture

Science.gov (United States)

Lee, Ji-Min; Kook, Dong-Hak; Cho, Il-Je; Kim, Yong-Soo

2017-08-01

In order to fundamentally understand the secondary hydriding mechanism of zirconium alloy cladding, the reaction of commercial Zircaloy-4 tubes with hydrogen and steam mixture was studied using a thermo-gravimetric analyser with two variables, H2/H2O ratio and temperature. Phenomenological analysis revealed that in the steam starvation condition, i.e., when the H2/H2O ratio is greater than 104, hydriding is the dominant reaction and the weight gain increases linearly after a short incubation time. On the other hand, when the gas ratio is 5 × 102 or 103, both hydriding and oxidation reactions take place simultaneously, leading to three distinct regimes: primary hydriding, enhanced oxidation, and massive hydriding. Microstructural changes of oxide demonstrate that when the weight gain exceeds a certain critical value, massive hydriding takes place due to the significant localized crack development within the oxide, which possibly simulates the secondary hydriding failure in a defective fuel operation. This study reveals that the steam starvation condition above the critical H2/H2O ratio is only a necessary condition for the secondary hydriding failure and, as a sufficient condition, oxide needs to grow sufficiently to reach the critical thickness that produces substantial crack development. In other words, in a real defective fuel operation incident, the secondary failure is initiated only when both steam starvation and oxide degradation conditions are simultaneously met. Therefore, it is concluded that the indispensable time for the critical oxide growth primarily determines the triggering time of massive hydriding failure.

Global exponential stability of impulsive fuzzy cellular neural networks with mixed delays and reaction-diffusion terms

International Nuclear Information System (INIS)

Wang Xiaohu; Xu Daoyi

2009-01-01

In this paper, the global exponential stability of impulsive fuzzy cellular neural networks with mixed delays and reaction-diffusion terms is considered. By establishing an integro-differential inequality with impulsive initial condition and using the properties of M-cone and eigenspace of the spectral radius of nonnegative matrices, several new sufficient conditions are obtained to ensure the global exponential stability of the equilibrium point for fuzzy cellular neural networks with delays and reaction-diffusion terms. These results extend and improve the earlier publications. Two examples are given to illustrate the efficiency of the obtained results.

Anaphylactic reaction to polyethylene-glycol conjugated-asparaginase: premedication and desensitization may not be sufficient.

Science.gov (United States)

Sahiner, Umit M; Yavuz, S Tolga; Gökce, Muge; Buyuktiryaki, Betul; Altan, Ilhan; Aytac, Selin; Tuncer, Murat; Tuncer, Ayfer; Sackesen, Cansin

2013-08-01

In hypersensitive reactions to native L-asparaginase, either premedication and desensitization or substitution with polyethylene glycol conjugated asparaginase (PEG-ASP) is preferred. Anaphylaxis with PEG-ASP is rare. An 8-year-old girl and a 2.5-year-old boy, both diagnosed as having acute lymphoblastic leukemia, presented with native L-asparaginase hypersensitivity and substitution with PEG-ASP was preferred. They received a premedication (methylprednisolone, hydroxyzine and ranitidine) followed by desensitization with PEG-ASP infusion. Both patients developed anaphylaxis with peg-asparaginase. These are the first reported cases of anaphylactic reaction to PEG-ASP, despite the application of both premedication and desensitization. Anaphylaxis with PEG-ASP is very rare and premedication and desensitization protocols may not prevent these hypersensitive reactions. © 2013 The Authors. Pediatrics International © 2013 Japan Pediatric Society.

Developed Hybrid Model for Propylene Polymerisation at Optimum Reaction Conditions

Directory of Open Access Journals (Sweden)

Mohammad Jakir Hossain Khan

2016-02-01

Full Text Available A statistical model combined with CFD (computational fluid dynamic method was used to explain the detailed phenomena of the process parameters, and a series of experiments were carried out for propylene polymerisation by varying the feed gas composition, reaction initiation temperature, and system pressure, in a fluidised bed catalytic reactor. The propylene polymerisation rate per pass was considered the response to the analysis. Response surface methodology (RSM, with a full factorial central composite experimental design, was applied to develop the model. In this study, analysis of variance (ANOVA indicated an acceptable value for the coefficient of determination and a suitable estimation of a second-order regression model. For better justification, results were also described through a three-dimensional (3D response surface and a related two-dimensional (2D contour plot. These 3D and 2D response analyses provided significant and easy to understand findings on the effect of all the considered process variables on expected findings. To diagnose the model adequacy, the mathematical relationship between the process variables and the extent of polymer conversion was established through the combination of CFD with statistical tools. All the tests showed that the model is an excellent fit with the experimental validation. The maximum extent of polymer conversion per pass was 5.98% at the set time period and with consistent catalyst and co-catalyst feed rates. The optimum conditions for maximum polymerisation was found at reaction temperature (RT 75 °C, system pressure (SP 25 bar, and 75% monomer concentration (MC. The hydrogen percentage was kept fixed at all times. The coefficient of correlation for reaction temperature, system pressure, and monomer concentration ratio, was found to be 0.932. Thus, the experimental results and model predicted values were a reliable fit at optimum process conditions. Detailed and adaptable CFD results were capable

Bifurcation of positive solutions to scalar reaction-diffusion equations with nonlinear boundary condition

Science.gov (United States)

Liu, Ping; Shi, Junping

2018-01-01

The bifurcation of non-trivial steady state solutions of a scalar reaction-diffusion equation with nonlinear boundary conditions is considered using several new abstract bifurcation theorems. The existence and stability of positive steady state solutions are proved using a unified approach. The general results are applied to a Laplace equation with nonlinear boundary condition and bistable nonlinearity, and an elliptic equation with superlinear nonlinearity and sublinear boundary conditions.

Stability of matrices with sufficiently strong negative-dominant-diagonal submatrices

NARCIS (Netherlands)

Nieuwenhuis, H.J.; Schoonbeek, L.

A well-known sufficient condition for stability of a system of linear first-order differential equations is that the matrix of the homogeneous dynamics has a negative dominant diagonal. However, this condition cannot be applied to systems of second-order differential equations. In this paper we

Effects of network dissolution changes on pore-to-core upscaled reaction rates for kaolinite and anorthite reactions under acidic conditions

KAUST Repository

Kim, Daesang

2013-11-01

We have extended reactive flow simulation in pore-network models to include geometric changes in the medium from dissolution effects. These effects include changes in pore volume and reactive surface area, as well as topological changes that open new connections. The computed changes were based upon a mineral map from an X-ray computed tomography image of a sandstone core. We studied the effect of these changes on upscaled (pore-scale to core-scale) reaction rates and compared against the predictions of a continuum model. Specifically, we modeled anorthite and kaolinite reactions under acidic flow conditions during which the anorthite reactions remain far from equilibrium (dissolution only), while the kaolinite reactions can be near-equilibrium. Under dissolution changes, core-scale reaction rates continuously and nonlinearly evolved in time. At higher injection rates, agreement with predictions of the continuum model degraded significantly. For the far-from-equilibrium reaction, our results indicate that the ability to correctly capture the heterogeneity in dissolution changes in the reactive mineral surface area is critical to accurately predict upscaled reaction rates. For the near-equilibrium reaction, the ability to correctly capture the heterogeneity in the saturation state remains critical. Inclusion of a Nernst-Planck term to ensure neutral ionic currents under differential diffusion resulted in at most a 9% correction in upscaled rates.

Iodine/steel reactions under severe accident conditions in LWR's

International Nuclear Information System (INIS)

Funke, F.; Greger, G-U.; Hellman, S.; Bleier, A.; Morell, W.

1994-01-01

Due to large surface areas, the reaction of volatile, molecular iodine (I 2 ) with steel surfaces in the containment may play an important role in predicting the source term to the environment. Both wall retention of iodine and conversion of volatile into non-volatile iodine compounds at steel surfaces have to be considered. Two types of laboratory experiments were carried out at Siemens/KWU in order to investigate the reaction of I 2 at steel surfaces representative for German power plants. 1) For steel coupons submerged in an I 2 solution at T = 50 deg C, 90 deg C or 140 deg C the reaction rate of the I 2 /I - conversion was determined. No iodine loading was observed on the steel in the aqueous phase tests. I 2 reacts with the steel components (Fe, Cr or Ni) to form metal iodides on the surface which are all immediately dissolved in water under dissociation into the metal and the iodide ions. From these experiments, the I 2 /I - conversion rate constants over the temperature range 50 deg C - 140 deg C as well as the activation energy were determined. The measured data are suitable to be included in severe accident iodine codes such as IMPAIR. 2) Steel tubes were exposed to a steam/I 2 flow under dry air at T=120 deg C and steam-condensing conditions at T= 120 deg C and 160 deg C. In dry air I 2 was retained on the steel surface and a deposition rate constant was measured. Under steam-condensing conditions there is an effective conversion of volatile I 2 to non-volatile I - which is subsequently washed off from the steel surface. The I 2 /I - conversion rate constants suitable for modelling this process were determined. No temperature dependency was found in the range 120 deg C - 160 deg C. (author). 4 refs., 2 tabs., 7 figs

Ablation characteristics and reaction mechanism of insulation materials under slag deposition condition

Science.gov (United States)

Guan, Yiwen; Li, Jiang; Liu, Yang

2017-07-01

Current understanding of the physical and chemical processes involved in the ablation of insulation materials by highly aluminized solid propellants is limited. The study on the heat transfer and ablation principle of ethylene propylene diene monomer (EPDM) materials under slag deposition condition is essential for future design or modification of large solid rocket motors (SRMs) for launch application. In this paper, the alumina liquid flow pattern and the deposition principle in full-scale SRM engines are discussed. The interaction mechanism between the alumina droplets and the wall are analyzed. Then, an experimental method was developed to simulate the insulation material ablation under slag deposition condition. Experimental study was conducted based on a laboratory-scale device. Meanwhile, from the analysis of the cross-sectional morphology and chemical composition of the charring layer after ablation, the reaction mechanism of the charring layer under deposition condition was discussed, and the main reaction equation was derived. The numerical simulation and experimental results show the following. (i) The alumina droplet flow in the deposition section of the laboratory-scale device is similar to that of a full-scale SRM. (ii) The charring layer of the EPDM insulator displays a porous tight/loose structure under high-temperature slag deposition condition. (iii) A seven-step carbothermal reduction in the alumina is derived and established under high-pressure and high-temperature environment in the SRM combustion chamber. (iv) The analysis using thermodynamic software indicates that the reaction of the alumina and charring layer initially forms Al4C3 during the operation. Then, Al element and Al2OC compound are subsequently produced with the reduction in the release of gas CO as well with continuous environmental heating.

Sufficiency Grounded as Sufficiently Free: A Reply to Shlomi Segall

DEFF Research Database (Denmark)

Nielsen, Lasse

2016-01-01

be grounded on (i) any personal value, nor (ii) any impersonal value. Consequently, sufficientarianism is groundless. This article contains a rejoinder to this critique. Its main claim is that the value of autonomy holds strong potential for grounding sufficiency. It argues, firstly, that autonomy carries...... both personal value for its recipient as well as impersonal value, and that both of these values are suitable for grounding sufficiency. It thus follows that we should reject both (i) and (ii). Secondly, although autonomy is presumably the strongest candidate for grounding sufficiency, the article...... provides some counterargument to Segall’s rejection of the other candidates—the impersonal value of virtue; the personal value for the allocator; and the personal value for others. If the arguments are sound, they show that we need not worry about sufficientarianism being groundless....

Description of the equilibrium conditions of chemical reactions in various solvents

International Nuclear Information System (INIS)

Roehl, H.

1983-01-01

Empirical knowledge is taken as the basis for establishing a method to predict the equilibrium conditions of reactions of macrocyclic polyethers and monovalent metal cations in various solvents. The reactions in the solvents under review can be well described by the donor number DN according to Gutmann, and by the parameters alpha and pi-asterisk for the H bonding donor and polarity/polarisability, respectively, using a three-parameter equation according to Kamlet/Taft. This applies to both protic and aprotic solvents. The calculations rely on data found in the literature and on own experimental results obtained by microcalorimetric examinations. The evaluation methods evolved for this purpose also allow, by means of additional dilution experiments, to convert the ''integral'', microcalorimetrically obtained complex stability constants, (i.e. those non-discriminating between different types of state such as ions or ion pairs) to the corresponding ''differentiating'' constants (referring to purely ionic quantities), and this applied to the various solvents used. The method does not use foreign ions and can thus also be applied to those cases for which the normal standardisation of reaction conditions published in the literature cannot be maintained (e.g. for reasons of solubility). In some cases it was possible to obtain additional information on the dissociation behaviour of the salts used, which revealed differently strong inclination to form higher aggregations in solution, as shown e.g. by the strong concentration dependence of the salt ion pair dissociation constants obtained. (orig./EF) [de

The kinetics of dolomite reaction rim growth under isostatic and non-isostatic pressure conditions

Science.gov (United States)

Helpa, V.; Rybacki, E.; Morales, L. G.; Abart, R.; Dresen, G. H.

2013-12-01

During burial and exhumation, rocks are simultaneously exposed to metamorphic reactions and tectonic stresses. Therefore, the reaction rate of newly formed minerals may depend on chemical and mechanical driving forces. Here, we investigate the reaction kinetics of dolomite (CaMg[CO3]2) rim growth by solid-state reactions experiments on oriented calcite (CaCO3) and magnesite (MgCO3) single crystals under isostatic and non-isostatic pressure conditions. Cylindrical samples of 3-5 mm length and 7 mm diameter were drilled and polished perpendicular to the rhombohedral cleavage planes of natural clear crystals. The tests were performed using a Paterson-type deformation apparatus at P = 400 MPa confining pressure, temperatures, T, between 750 and 850°C, and reaction durations, t, of 2 - 146 h to calculate the kinetic parameters of dolomite rim growth under isostatic stress conditions. For non-isostatic reaction experiments we applied in addition differential stresses, σ, up to 40 MPa perpendicular to the contact interface at T = 750°C for 4 - 171 h duration, initiating minor inelastic deformation of calcite. The thickness of the resulting dolomite reaction rims increases linearly with the square root of time, indicating a diffusion-controlled reaction. The rims consist of two different textural domains. Granular dolomite grains (≈ 2 -5 μm grain size) form next to calcite and elongated palisade-shaped grains (1-6 μm diameter) grow perpendicular to the magnesite interface. Texture measurements with the electron backscatter diffraction technique indicate that the orientations of dolomite grains are mainly influenced by the orientation of the calcite educt crystal, in particular in the granular rim. To some extent, the texture of dolomite palisades is also influenced by the orientation of magnesite. The thickness of the two individual layers increases with temperature. At 400 MPa isostatic pressure, T = 750°C and t = 29 hours, a 5 μm thick granular dolomite layer

Deuterium-tritium fuel self-sufficiency in fusion reactors

International Nuclear Information System (INIS)

Abdou, M.A.; Vold, E.L.; Gung, C.Y.; Youssef, M.Z.; Shin, K.

1986-01-01

Conditions necessary to achieve deuterium-tritium fuel self-sufficiency in fusion reactors are derived through extensive modeling and calculations of the required and achievable tritium breeding ratios as functions of the many reactor parameters and candidate design concepts. It is found that the excess margin in the breeding potential is not sufficient to cover all present uncertainties. Thus, the goal of attaining fuel self-sufficiency significantly restricts the allowable parameter space and design concepts. For example, the required breeding ratio can be reduced by (A) attaining high tritium fractional burnup, >5%, in the plasma, (B) achieving very high reliability, >99%, and very short times, <1 day, to fix failures in the tritium processing system, and (C) ensuring that nonradioactive decay losses from all subsystems are extremely low, e.g., <0.1% for the plasma exhaust processing system. The uncertainties due to nuclear data and calculational methods are found to be significant, but they are substantially smaller than those due to uncertainties in system definition

Learning to predict chemical reactions.

Science.gov (United States)

Kayala, Matthew A; Azencott, Chloé-Agathe; Chen, Jonathan H; Baldi, Pierre

2011-09-26

Being able to predict the course of arbitrary chemical reactions is essential to the theory and applications of organic chemistry. Approaches to the reaction prediction problems can be organized around three poles corresponding to: (1) physical laws; (2) rule-based expert systems; and (3) inductive machine learning. Previous approaches at these poles, respectively, are not high throughput, are not generalizable or scalable, and lack sufficient data and structure to be implemented. We propose a new approach to reaction prediction utilizing elements from each pole. Using a physically inspired conceptualization, we describe single mechanistic reactions as interactions between coarse approximations of molecular orbitals (MOs) and use topological and physicochemical attributes as descriptors. Using an existing rule-based system (Reaction Explorer), we derive a restricted chemistry data set consisting of 1630 full multistep reactions with 2358 distinct starting materials and intermediates, associated with 2989 productive mechanistic steps and 6.14 million unproductive mechanistic steps. And from machine learning, we pose identifying productive mechanistic steps as a statistical ranking, information retrieval problem: given a set of reactants and a description of conditions, learn a ranking model over potential filled-to-unfilled MO interactions such that the top-ranked mechanistic steps yield the major products. The machine learning implementation follows a two-stage approach, in which we first train atom level reactivity filters to prune 94.00% of nonproductive reactions with a 0.01% error rate. Then, we train an ensemble of ranking models on pairs of interacting MOs to learn a relative productivity function over mechanistic steps in a given system. Without the use of explicit transformation patterns, the ensemble perfectly ranks the productive mechanism at the top 89.05% of the time, rising to 99.86% of the time when the top four are considered. Furthermore, the system

Learning to Predict Chemical Reactions

Science.gov (United States)

Kayala, Matthew A.; Azencott, Chloé-Agathe; Chen, Jonathan H.

2011-01-01

Being able to predict the course of arbitrary chemical reactions is essential to the theory and applications of organic chemistry. Approaches to the reaction prediction problems can be organized around three poles corresponding to: (1) physical laws; (2) rule-based expert systems; and (3) inductive machine learning. Previous approaches at these poles respectively are not high-throughput, are not generalizable or scalable, or lack sufficient data and structure to be implemented. We propose a new approach to reaction prediction utilizing elements from each pole. Using a physically inspired conceptualization, we describe single mechanistic reactions as interactions between coarse approximations of molecular orbitals (MOs) and use topological and physicochemical attributes as descriptors. Using an existing rule-based system (Reaction Explorer), we derive a restricted chemistry dataset consisting of 1630 full multi-step reactions with 2358 distinct starting materials and intermediates, associated with 2989 productive mechanistic steps and 6.14 million unproductive mechanistic steps. And from machine learning, we pose identifying productive mechanistic steps as a statistical ranking, information retrieval, problem: given a set of reactants and a description of conditions, learn a ranking model over potential filled-to-unfilled MO interactions such that the top ranked mechanistic steps yield the major products. The machine learning implementation follows a two-stage approach, in which we first train atom level reactivity filters to prune 94.00% of non-productive reactions with a 0.01% error rate. Then, we train an ensemble of ranking models on pairs of interacting MOs to learn a relative productivity function over mechanistic steps in a given system. Without the use of explicit transformation patterns, the ensemble perfectly ranks the productive mechanism at the top 89.05% of the time, rising to 99.86% of the time when the top four are considered. Furthermore, the system

Necessary and sufficient conditions for the existence of a lagrangian in field theory. III. Generalized analytic representations of tensorial field equations

International Nuclear Information System (INIS)

Santilli, R.M.

1977-01-01

In this paper we first study the equivalence transformations of class C 2 , regular, tensorial, quasi-linear systems of field which (a) preserve the continuity, regularity, and quasi-linear structure of the systems; and (b) occur within a fixed system of Minkowski coordinates and field components. We identify, among the transformations of this class, those which either induce or preserve a self-adjoint structure of the field equations and we term them genotopic and isotopic transformations, respectively. We then give the necessary and sufficient conditions for an equivalence transformation of the above type to be either genotopic or isotopic. By using this methodology, we then extend the theorem on the necessary and sufficient condition for the existence of ordered direct analytic representations introduced in the preceding paper to the case of ordered indirect analytic representations in terms of the conventional Lagrange equations; we introduce a method for the construction of a Lagrangian, when it exists, in this broader context; and we explore some implications of the underlying methodology for the problem of the structure of the Lagrangian capable of representing interactions within the framework of the indirect analytic representations. Some of the several aspects which demand an inspection prior to the use of this analytic approach in actual models are pointed out.In particular, we indicate a possible deep impact in the symmetries and conservation laws of the system generated by the use of the concept of indirect analytic representation

Asymptotic stability of a coupled advection-diffusion-reaction system arising in bioreactor processes

Directory of Open Access Journals (Sweden)

Maria Crespo

2017-08-01

Full Text Available In this work, we present an asymptotic analysis of a coupled system of two advection-diffusion-reaction equations with Danckwerts boundary conditions, which models the interaction between a microbial population (e.g., bacteria, called biomass, and a diluted organic contaminant (e.g., nitrates, called substrate, in a continuous flow bioreactor. This system exhibits, under suitable conditions, two stable equilibrium states: one steady state in which the biomass becomes extinct and no reaction is produced, called washout, and another steady state, which corresponds to the partial elimination of the substrate. We use the linearization method to give sufficient conditions for the linear asymptotic stability of the two stable equilibrium configurations. Finally, we compare our asymptotic analysis with the usual asymptotic analysis associated to the continuous bioreactor when it is modeled with ordinary differential equations.

Conditional symmetries for systems of PDEs: new definitions and their application for reaction-diffusion systems

International Nuclear Information System (INIS)

Cherniha, Roman

2010-01-01

New definitions of Q-conditional symmetry for systems of PDEs are presented, which generalize the standard notation of non-classical (conditional) symmetry. It is shown that different types of Q-conditional symmetry of a system generate a hierarchy of conditional symmetry operators. A class of two-component nonlinear reaction-diffusion systems is examined to demonstrate the applicability of the definitions proposed and it is shown when different definitions of Q-conditional symmetry lead to the same operators.

Recent progress in transition-metal-catalyzed reduction of molecular dinitrogen under ambient reaction conditions.

Science.gov (United States)

Nishibayashi, Yoshiaki

2015-10-05

This paper describes our recent progress in catalytic nitrogen fixation by using transition-metal-dinitrogen complexes as catalysts. Two reaction systems for the catalytic transformation of molecular dinitrogen into ammonia and its equivalent such as silylamine under ambient reaction conditions have been achieved by the molybdenum-, iron-, and cobalt-dinitrogen complexes as catalysts. Many new findings presented here may provide new access to the development of economical nitrogen fixation in place of the Haber-Bosch process.

Conditional loss of progranulin in neurons is not sufficient to cause neuronal ceroid lipofuscinosis-like neuropathology in mice.

Science.gov (United States)

Petkau, Terri L; Blanco, Jake; Leavitt, Blair R

2017-10-01

Progranulin deficiency due to heterozygous null mutations in the GRN gene is a common cause of familial frontotemporal lobar degeneration (FTLD), while homozygous loss-of-function GRN mutations cause neuronal ceroid lipofuscinosis (NCL). Aged progranulin-knockout mice display highly exaggerated lipofuscinosis, microgliosis, and astrogliosis, as well as mild cell loss in specific brain regions. Progranulin is a secreted glycoprotein expressed in both neurons and microglia, but not astrocytes, in the brain. We generated conditional progranulin-knockout mice that lack progranulin in nestin-expressing cells (Nes-cKO mice), which include most neurons as well as astrocytes. We confirmed near complete knockout of progranulin in neurons in Nes-cKO mice, while microglial progranulin levels remained similar to that of wild-type animals. Overall brain progranulin levels were reduced by about 50% in Nes-cKO, and no Grn was detected in primary Nes-cKO neurons. Nes-cKO mice aged to 12months did not display any increase in lipofuscin deposition, microgliosis, or astrogliosis in the four brain regions examined, though increases were observed for most of these measures in Grn-null animals. We conclude that neuron-specific loss of progranulin is not sufficient to cause similar neuropathological changes to those seen in constitutive Grn-null animals. Our results suggest that increased lipofuscinosis and gliosis in Grn-null animals are not caused by intrinsic progranulin deficiency in neurons, and that microglia-derived progranulin may be sufficient to maintain neuronal health and homeostasis in the brain. Copyright © 2017 Elsevier Inc. All rights reserved.

Assessment of PDF Micromixing Models Using DNS Data for a Two-Step Reaction

Science.gov (United States)

Tsai, Kuochen; Chakrabarti, Mitali; Fox, Rodney O.; Hill, James C.

1996-11-01

Although the probability density function (PDF) method is known to treat the chemical reaction terms exactly, its application to turbulent reacting flows have been overshadowed by the ability to model the molecular mixing terms satisfactorily. In this study, two PDF molecular mixing models, the linear-mean-square-estimation (LMSE or IEM) model and the generalized interaction-by-exchange-with-the-mean (GIEM) model, are compared with the DNS data in decaying turbulence with a two-step parallel-consecutive reaction and two segregated initial conditions: ``slabs" and ``blobs". Since the molecular mixing model is expected to have a strong effect on the mean values of chemical species under such initial conditions, the model evaluation is intended to answer the following questions: Can the PDF models predict the mean values of chemical species correctly with completely segregated initial conditions? (2) Is a single molecular mixing timescale sufficient for the PDF models to predict the mean values with different initial conditions? (3) Will the chemical reactions change the molecular mixing timescales of the reacting species enough to affect the accuracy of the model's prediction for the mean values of chemical species?

Transesterification of soybean oil with methanol and acetic acid at lower reaction severity under subcritical conditions

International Nuclear Information System (INIS)

Go, Alchris Woo; Sutanto, Sylviana; NguyenThi, Bich Thuyen; Cabatingan, Luis K.; Ismadji, Suryadi; Ju, Yi-Hsu

2014-01-01

Highlights: • (trans)Esterification of oils under subcritical conditions. • Acetic acid as catalyst and co-solvent in biodiesel production. • Influence of reactor hydrodynamic (loading and stirring) on FAME yield. • High methyl ester yield can be obtained at less severe reaction conditions. - Abstract: Soybean oil (56–80 g) was reacted with methanol (40–106 mL) to produce fatty acid methyl ester in the presence of 1–6% acetic acid under subcritical condition at 250 °C. Stirring and loading of the reaction system affected the yield and severity of the process. The presence of acetic acid improved the yield of FAME from 32.1% to 89.5% at a methanol to oil molar ratio of 20 mL/g. Acetic acid was found to act strongly as an acid catalyst and to some extent improved the solubility between oil and methanol. Reaction pressure higher than the supercritical pressure of methanol (7.85 MPa) was not required to achieve high FAME yield (89.5–94.8%) in short time (30–60 min)

Metabolic flux analysis of Cyanothece sp. ATCC 51142 under mixotrophic conditions.

Science.gov (United States)

Alagesan, Swathi; Gaudana, Sandeep B; Sinha, Avinash; Wangikar, Pramod P

2013-11-01

Cyanobacteria are a group of photosynthetic prokaryotes capable of utilizing solar energy to fix atmospheric carbon dioxide to biomass. Despite several "proof of principle" studies, low product yield is an impediment in commercialization of cyanobacteria-derived biofuels. Estimation of intracellular reaction rates by (13)C metabolic flux analysis ((13)C-MFA) would be a step toward enhancing biofuel yield via metabolic engineering. We report (13)C-MFA for Cyanothece sp. ATCC 51142, a unicellular nitrogen-fixing cyanobacterium, known for enhanced hydrogen yield under mixotrophic conditions. Rates of reactions in the central carbon metabolism under nitrogen-fixing and -non-fixing conditions were estimated by monitoring the competitive incorporation of (12)C and (13)C from unlabeled CO2 and uniformly labeled glycerol, respectively, into terminal metabolites such as amino acids. The observed labeling patterns suggest mixotrophic growth under both the conditions, with a larger fraction of unlabeled carbon in nitrate-sufficient cultures asserting a greater contribution of carbon fixation by photosynthesis and an anaplerotic pathway. Indeed, flux analysis complements the higher growth observed under nitrate-sufficient conditions. On the other hand, the flux through the oxidative pentose phosphate pathway and tricarboxylic acid cycle was greater in nitrate-deficient conditions, possibly to supply the precursors and reducing equivalents needed for nitrogen fixation. In addition, an enhanced flux through fructose-6-phosphate phosphoketolase possibly suggests the organism's preferred mode under nitrogen-fixing conditions. The (13)C-MFA results complement the reported predictions by flux balance analysis and provide quantitative insight into the organism's distinct metabolic features under nitrogen-fixing and -non-fixing conditions.

Influence of reaction conditions and feedstock on hydrochar properties

International Nuclear Information System (INIS)

Guo, Shuqing; Dong, Xiangyuan; Wu, Tingting; Zhu, Caixia

2016-01-01

Highlights: • Models of hydrochar properties were established based on severity parameter. • Derivative methods were used to study the variation of hydrochar properties. • Water to biomass ratio has a significant effect on the hydrochar yield. • The curves of hydrochar properties can be divided into three stages. • The maximum variation rate of hydrochar properties for six samples is at severity of 5.8–6.4. - Abstract: Hydrothermal carbonization (HTC) is a biomass conversion process to produce a renewable solid fuel (hydrochar). The reaction conditions, such as temperature, time, and water/biomass ratio have key effects on hydrochar characteristics. However, it has not been fully investigated to establish and compare models of hydrochar properties (solid yield, carbon content and HHV) for different biomass HTC at different reaction conditions. These models and the corresponding analytical methods are favorable to optimize operating parameters and process design of HTC. In this work, HTC experiments from corn stalk, longan Shell and NaOH-pretreated longan Shell were carried out at 210 °C, 250 °C and 290 °C for 30 min, 240 min and 480 min with different water to biomass ratios. New models of the hydrochar properties of corn stalk, longan Shell and NaOH-pretreated longan Shell were established based on severity parameter (combined time and temperature) and dose-response function. Also, data of wood, olive stone and grape marc hydrochars (collected from literatures) were used for comparison. The first and second derivative methods were also employed to analyze and compare the variation of these hydrochar properties. The results showed that the hydrchar yield, carbon content, and HHV curves decrease monotonically and can be divided into three significant stages with increasing reaction severity. The water to biomass ratio has a significant effect on the hydrochar yield. With increasing the water to biomass ratio, both the maximum decrease rates and the

Toluene pyrolysis studies and high temperature reactions of propargyl chloride

Energy Technology Data Exchange (ETDEWEB)

Kern, R.D.; Chen, H.; Qin, Z. [Univ. of New Orleans, LA (United States)

1993-12-01

The main focus of this program is to investigate the thermal decompositions of fuels that play an important role in the pre-particle soot formation process. It has been demonstrated that the condition of maximum soot yield is established when the reaction conditions of temperature and pressure are sufficient to establish a radical pool to support the production of polyaromatic hydrocarbon species and the subsequent formation of soot particles. However, elevated temperatures result in lower soot yields which are attributed to thermolyses of aromatic ring structures and result in the bell-shaped dependence of soot yield on temperature. The authors have selected several acyclic hydrocarbons to evaluate the chemical thermodynamic and kinetic effects attendant to benzene formation. To assess the thermal stability of the aromatic ring, the authors have studied the pyrolyses of benzene, toluene, ethylbenzene, chlorobenzene and pyridine. Time-of-flight mass spectrometry (TOF) is employed to analyze the reaction zone behind reflected shock waves. Reaction time histories of the reactants, products, and intermediates are constructed and mechanisms are formulated to model the experimental data. The TOF work is often performed with use of laser schlieren densitometry (LS) to measure density gradients resulting from the heats of various reactions involved in a particular pyrolytic system. The two techniques, TOF and LS, provide independent and complementary information about ring formation and ring rupture reactions.

The Necessary and Sufficient Conditions of Therapeutic Personality Change.

Science.gov (United States)

Rogers, Carl R.

1992-01-01

Presents reprint of original work published in 1957 in "Journal of Consulting Psychology" in which Carl Rogers takes one small segment of theory of psychotherapy, of personality, and of interpersonal relationships; spells it out more completely; and explores its meaning and usefulness. Rogers examines psychological conditions necessary and…

Development of a reaction cell for in-situ/operando studies of surface of a catalyst under a reaction condition and during catalysis

Energy Technology Data Exchange (ETDEWEB)

Nguyen, Luan; Tao, Franklin, E-mail: franklin.tao.2011@gmail.com [Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Department of Chemical and Petroleum Engineering, University of Kansas, Lawrence, Kansas 66045 (United States)

2016-06-15

Tracking surface chemistry of a catalyst during catalysis is significant for fundamental understanding of catalytic performance of the catalyst since it allows for establishing an intrinsic correlation between surface chemistry of a catalyst at its working status and its corresponding catalytic performance. Ambient pressure X-ray photoelectron spectroscopy can be used for in-situ studies of surfaces of different materials or devices in a gas. To simulate the gaseous environment of a catalyst in a fixed-bed a flowing gaseous environment of reactants around the catalyst is necessary. Here, we report the development of a new flowing reaction cell for simulating in-situ study of a catalyst surface under a reaction condition in gas of one reactant or during catalysis in a mixture of reactants of a catalytic reaction. The homemade reaction cell is installed in a high vacuum (HV) or ultrahigh vacuum (UHV) environment of a chamber. The flowing gas in the reaction cell is separated from the HV or UHV environment through well sealings at three interfaces between the reaction cell and X-ray window, sample door and aperture of front cone of an energy analyzer. Catalyst in the cell is heated through infrared laser beam introduced through a fiber optics interfaced with the reaction cell through a homemade feedthrough. The highly localized heating on the sample holder and Au-passivated internal surface of the reaction cell effectively minimizes any unwanted reactions potentially catalyzed by the reaction cell. The incorporated laser heating allows a fast heating and a high thermal stability of the sample at a high temperature. With this cell, a catalyst at 800 °C in a flowing gas can be tracked readily.

Development of a reaction cell for in-situ/operando studies of surface of a catalyst under a reaction condition and during catalysis

International Nuclear Information System (INIS)

Nguyen, Luan; Tao, Franklin

2016-01-01

Tracking surface chemistry of a catalyst during catalysis is significant for fundamental understanding of catalytic performance of the catalyst since it allows for establishing an intrinsic correlation between surface chemistry of a catalyst at its working status and its corresponding catalytic performance. Ambient pressure X-ray photoelectron spectroscopy can be used for in-situ studies of surfaces of different materials or devices in a gas. To simulate the gaseous environment of a catalyst in a fixed-bed a flowing gaseous environment of reactants around the catalyst is necessary. Here, we report the development of a new flowing reaction cell for simulating in-situ study of a catalyst surface under a reaction condition in gas of one reactant or during catalysis in a mixture of reactants of a catalytic reaction. The homemade reaction cell is installed in a high vacuum (HV) or ultrahigh vacuum (UHV) environment of a chamber. The flowing gas in the reaction cell is separated from the HV or UHV environment through well sealings at three interfaces between the reaction cell and X-ray window, sample door and aperture of front cone of an energy analyzer. Catalyst in the cell is heated through infrared laser beam introduced through a fiber optics interfaced with the reaction cell through a homemade feedthrough. The highly localized heating on the sample holder and Au-passivated internal surface of the reaction cell effectively minimizes any unwanted reactions potentially catalyzed by the reaction cell. The incorporated laser heating allows a fast heating and a high thermal stability of the sample at a high temperature. With this cell, a catalyst at 800 °C in a flowing gas can be tracked readily.

Evaluation of the Optimal Reaction Conditions for the Methanolysis and Ethanolysis of Castor Oil Catalyzed by Immobilized Enzymes

DEFF Research Database (Denmark)

Andrade, Thalles Allan; Al-Kabalawi, Ibrahim F.; Errico, Massimiliano

:1 methanol-to-oil molar ratio, 5 wt% of enzymes, 7.5 wt% of water, 50 wt% n-hexane, at 50 °C. The fatty acid methyl esters content was 96.8 % and 1.0 % FFA. Regarding the reactions with ethanol, 98.0 % fatty acid ethyl ester was obtained and 1.3 % FFA, when the reaction was carried out at 60 °C, 4:1 ethanol......As an alternative to the use of chemical catalysts, immobilized enzyme Lipozyme 435 was evaluated as catalyst for biodiesel production, comparing its efficiency in the castor oil transesterification with methanol and ethanol. Different reaction conditions were assessed and optimized, including...... the reaction temperature (35 – 60 °C), alcohol-to-oil molar ratio (from 3:1 to 6:1), amount of catalyst (from 3 to 15 wt% by weight of oil), addition of water (0 – 15 wt%), and use of n-hexane as a solvent (0 – 75 wt%). For the transesterification with methanol, the optimal reaction conditions were 3...

Study of photosensitization reaction progress in a 96 well plate with photosensitizer rich condition using Talaporfin sodium

Science.gov (United States)

Ogawa, Emiyu; Takahashi, Mei; Arai, Tsunenori

2013-02-01

To quantitatively investigate photosensitization reaction in vitro against myocardial cells with photosensitizer rich condition in solution using Talaporfin sodium in the well of a 96 well plate, we studied photosensitization reaction progress in this well. We have proposed non-thermal conduction block of myocardium tissue using the photosensitization reaction with laser irradiation shortly after Talaporfin sodium injection. In above situation, the photosensitizer is located outside the myocardial cells in high concentration. To understand interaction of the photosensitization reaction in which the photosensitizer distributes outside cells, the photosensitization reaction progress in the well was studied. Talaporfin sodium (799.69 MW) solution and a 663 nm diode laser were used. The photosensitizer solution concentrations of 12.5-37.5 μM were employed. The photosensitizer fluorescence with 0.29 W/cm2 in irradiance, which was optimized in previous cell death study, was measured during the laser irradiation until 40 J/cm2. The photosensitizer solution absorbance and dissolved oxygen pressure after the laser irradiation were also measured. We found that the photosensitization reaction progress had 2 distinctive phases of different reaction rate: rapid photosensitization reaction consuming dissolved oxygen and gentle photosensitization reaction with oxygen diffusion from the solution-air boundary. The dissolved oxygen pressure and photosensitizer solution absorbance were 30% and 80% of the initial values after the laser irradiation, respectively. Therefore, oxygen was rate-controlling factor of the photosensitization reaction in the well with the photosensitizer rich condition. In the oxygen diffusion phase, the oxygen pressure was maintained around 40 mmHg until the laser irradiation of 40 J/cm2 and it is similar to that of myocardium tissue in vivo. We think that our 96 well plate in vitro system may simulate PDT in myocardial tissue with photosensitization reaction

The application of reaction engineering to biocatalysis

DEFF Research Database (Denmark)

Ringborg, Rolf Hoffmeyer; Woodley, John

2016-01-01

outline the benefits of reaction engineering in this development process, with particular emphasis of reaction kinetics. Future research needs to focus on rapid methods to collect such data at sufficient accuracy that it can be used forthe effective design of new biocatalytic processes....

Influence of the reaction conditions on the enzyme catalyzed transesterification of castor oil

DEFF Research Database (Denmark)

Andrade, Thalles Allan; Errico, Massimiliano; Christensen, Knud Villy

2017-01-01

The identification of the influence of the reaction parameters is of paramount importance when defining a process design. In this work, non-edible castor oil was reacted with methanol to produce a possible component for biodiesel blends, using liquid enzymes as the catalyst. Temperature, alcohol......-to-oil molar ratio, enzyme and added water contents were the reaction parameters evaluated in the transesterification reactions. The optimal conditions, giving the optimal final FAME yield and FFA content in the methyl ester-phase was identified. At 35 °C, 6.0 methanol-to-oil molar ratio, 5 wt% of enzyme and 5...... wt% of water contents, 94 % of FAME yield and 6.1 % of FFA in the final composition were obtained. The investigation was completed with the analysis of the component profiles, showing that at least 8 hours are necessary to reach a satisfactory FAME yield together with a minor FFA content....

Metastable Structures in Cluster Catalysis from First-Principles: Structural Ensemble in Reaction Conditions and Metastability Triggered Reactivity.

Science.gov (United States)

Sun, Geng; Sautet, Philippe

2018-02-28

Reactivity studies on catalytic transition metal clusters are usually performed on a single global minimum structure. With the example of a Pt 13 cluster under a pressure of hydrogen, we show from first-principle calculations that low energy metastable structures of the cluster can play a major role for catalytic reactivity and that hence consideration of the global minimum structure alone can severely underestimate the activity. The catalyst is fluxional with an ensemble of metastable structures energetically accessible at reaction conditions. A modified genetic algorithm is proposed to comprehensively search for the low energy metastable ensemble (LEME) structures instead of merely the global minimum structure. In order to reduce the computational cost of density functional calculations, a high dimensional neural network potential is employed to accelerate the exploration. The presence and influence of LEME structures during catalysis is discussed by the example of H covered Pt 13 clusters for two reactions of major importance: hydrogen evolution reaction and methane activation. The results demonstrate that although the number of accessible metastable structures is reduced under reaction condition for Pt 13 clusters, these metastable structures can exhibit high activity and dominate the observed activity due to their unique electronic or structural properties. This underlines the necessity of thoroughly exploring the LEME structures in catalysis simulations. The approach enables one to systematically address the impact of isomers in catalysis studies, taking into account the high adsorbate coverage induced by reaction conditions.

Polyneutron Chain Reactions

International Nuclear Information System (INIS)

John C. Fisher

2000-01-01

Although helium atoms do not form molecules, a sufficiently large number will bind into a stable liquid droplet. A comparable situation is expected for neutrons, with a sufficiently large number binding into a stable droplet of neutron matter. Such polyneutron droplets can be viewed as isotopes of an element with nuclear charge Z=0, tentatively denoted neutrium, symbol Nt. Because of the relatively weak binding of neutrons compared with that of a mix of neutrons and protons, the minimum number of neutrons required for stability of a droplet is fairly large. Early estimates of ∼60 may be reduced to a dozen or so by the BCS pairing interaction. The Nt entries with N≥12 are new to the table of isotopes. Because all of them are beta-unstable, none is expected to persist as a free particle. Yet, some may occasionally be produced by means to be described below, and it is of interest to examine their decay chains and their interactions with charged nuclei to ascertain how their presence might be revealed. Although these reactions are interesting, they cannot be taken seriously without identifying a source for the initial Nt isotope that begins the chain. Here, we consider possible interactions between 16 O and A Nt. Although there is no strong interaction between them, we can expect a very weak residual attraction that can form a loosely bound 16 O A Nt nuclear molecule. This is not a compound nucleus in the usual sense because, considered as fluids, the 16 O and A Nt droplets are immiscible. For a droplet with fewer than about 60 neutrons, beta decay of A Nt is prevented by the buildup of Coulomb energy associated with transforming A Nt into A H in close proximity to 16 O. Thus, it is possible that 16 O A Nt molecules can persist indefinitely and that a few of them may be present in ordinary water as supermassive oxygen nuclei. Because the binding of these molecules is weak, the A Nt component can tunnel to an adjacent nucleus, and if the adjacent nucleus is 18 O, a

Influence of catalytic activity and reaction conditions on the product distribution in coal liquefaction; Sekitan ekikayu no seiseibutsu bunpu ni taisuru shokubai kassei oyobi hanno joken no eikyo

Energy Technology Data Exchange (ETDEWEB)

Hasuo, H.; Sakanishi, K.; Mochida, I. [Kyushu University, Fukuoka (Japan). Institute of Advanced Material Study

1996-10-28

The NiMo sulfide supported on Ketjen Black (KB) was more effective and yielded lighter oil products containing light fractions with their boiling point below 300{degree}C during the two stage liquefaction combining low temperature and high temperature hydrogenation the conventional NiMo/alumina catalyst and FeS2 catalyst. Although the NiMo/alumina yielded increased oil products during the two stage liquefaction, the lighter oil fractions did not increase and the heavier fractions increased mainly. This suggests that the hydrogenation of aromatic rings and successive cleavage of the rings are necessary for producing the light oil, which is derived from the sufficient hydrogenation of aromatic rings using catalysts. For the two stage reaction with NiMo/KB catalyst, it was considered that sufficient hydrogen was directly transferred to coal molecules at the first stage of the low temperature reaction, which promoted the solubilization of coal and the successive hydrogenation at the high temperature reaction. Thus, high activity of the catalyst must be obtained. It is expected that further high quality distillates can be produced through the optimization of catalysts and solvents at the two stage reaction. 1 ref., 4 figs., 1 tab.

Chemical reaction networks as a model to describe UVC- and radiolytically-induced reactions of simple compounds.

Science.gov (United States)

Dondi, Daniele; Merli, Daniele; Albini, Angelo; Zeffiro, Alberto; Serpone, Nick

2012-05-01

When a chemical system is submitted to high energy sources (UV, ionizing radiation, plasma sparks, etc.), as is expected to be the case of prebiotic chemistry studies, a plethora of reactive intermediates could form. If oxygen is present in excess, carbon dioxide and water are the major products. More interesting is the case of reducing conditions where synthetic pathways are also possible. This article examines the theoretical modeling of such systems with random-generated chemical networks. Four types of random-generated chemical networks were considered that originated from a combination of two connection topologies (viz., Poisson and scale-free) with reversible and irreversible chemical reactions. The results were analyzed taking into account the number of the most abundant products required for reaching 50% of the total number of moles of compounds at equilibrium, as this may be related to an actual problem of complex mixture analysis. The model accounts for multi-component reaction systems with no a priori knowledge of reacting species and the intermediates involved if system components are sufficiently interconnected. The approach taken is relevant to an earlier study on reactions that may have occurred in prebiotic systems where only a few compounds were detected. A validation of the model was attained on the basis of results of UVC and radiolytic reactions of prebiotic mixtures of low molecular weight compounds likely present on the primeval Earth.

Evaluation of the Optimal Reaction Conditions for the Methanolysis and Ethanolysis of Castor Oil Catalyzed by Immobilized Enzymes

DEFF Research Database (Denmark)

Andrade, Thalles Allan; Al-Kabalawi, Ibrahim; Errico, Massimiliano

This study aims to compare the efficiency of the transesterification of castor oil with methanol and ethanol as part of the biodiesel production, using immobilized enzyme Lipozyme IM as catalyst. Different reaction conditions were evaluated and optimized, including the reaction temperature, alcohol...

Global exponential stability for reaction-diffusion recurrent neural networks with multiple time varying delays

International Nuclear Information System (INIS)

Lou, X.; Cui, B.

2008-01-01

In this paper we consider the problem of exponential stability for recurrent neural networks with multiple time varying delays and reaction-diffusion terms. The activation functions are supposed to be bounded and globally Lipschitz continuous. By means of Lyapunov functional, sufficient conditions are derived, which guarantee global exponential stability of the delayed neural network. Finally, a numerical example is given to show the correctness of our analysis. (author)

Determination of the in vivo NAD:NADH ratio in Saccharomyces cerevisiae under anaerobic conditions, using alcohol dehydrogenase as sensor reaction.

Science.gov (United States)

Bekers, K M; Heijnen, J J; van Gulik, W M

2015-08-01

With the current quantitative metabolomics techniques, only whole-cell concentrations of NAD and NADH can be quantified. These measurements cannot provide information on the in vivo redox state of the cells, which is determined by the ratio of the free forms only. In this work we quantified free NAD:NADH ratios in yeast under anaerobic conditions, using alcohol dehydrogenase (ADH) and the lumped reaction of glyceraldehyde-3-phosphate dehydrogenase and 3-phosphoglycerate kinase as sensor reactions. We showed that, with an alternative accurate acetaldehyde determination method, based on rapid sampling, instantaneous derivatization with 2,4 diaminophenol hydrazine (DNPH) and quantification with HPLC, the ADH-catalysed oxidation of ethanol to acetaldehyde can be applied as a relatively fast and simple sensor reaction to quantify the free NAD:NADH ratio under anaerobic conditions. We evaluated the applicability of ADH as a sensor reaction in the yeast Saccharomyces cerevisiae, grown in anaerobic glucose-limited chemostats under steady-state and dynamic conditions. The results found in this study showed that the cytosolic redox status (NAD:NADH ratio) of yeast is at least one order of magnitude lower, and is thus much more reduced, under anaerobic conditions compared to aerobic glucose-limited steady-state conditions. The more reduced state of the cytosol under anaerobic conditions has major implications for (central) metabolism. Accurate determination of the free NAD:NADH ratio is therefore of importance for the unravelling of in vivo enzyme kinetics and to judge accurately the thermodynamic reversibility of each redox reaction. Copyright © 2015 John Wiley & Sons, Ltd.

Outcome of homogeneous and heterogeneous reactions in Darcy-Forchheimer flow with nonlinear thermal radiation and convective condition

Directory of Open Access Journals (Sweden)

T. Hayat

Full Text Available The present analysis aims to report the consequences of nonlinear radiation, convective condition and heterogeneous-homogeneous reactions in Darcy-Forchheimer flow over a non-linear stretching sheet with variable thickness. Non-uniform magnetic field and nonuniform heat generation/absorption are accounted. The governing boundary layer partial differential equations are converted into a system of nonlinear ordinary differential equations. The computations are organized and the effects of physical variables such as thickness parameter, power index, Hartman number, inertia and porous parameters, radiation parameter, Biot number, Prandtl number, ratio parameter, heat generation parameter and homogeneous-heterogeneous reaction parameter are investigated. The variations of skin friction coefficient and Nusselt number for different interesting variables are plotted and discussed. It is noticed that Biot number and heat generation variable lead to enhance the temperature distribution. The solutal boundary layer thickness decreases for larger homogeneous variable while reverse trend is seen for heterogeneous reaction. Keywords: Variable sheet thickness, Darcy-Forchheimer flow, Homogeneous-heterogeneous reactions, Power-law surface velocity, Convective condition, Heat generation/absorption, Nonlinear radiation

Reaction time for trimolecular reactions in compartment-based reaction-diffusion models

Science.gov (United States)

Li, Fei; Chen, Minghan; Erban, Radek; Cao, Yang

2018-05-01

Trimolecular reaction models are investigated in the compartment-based (lattice-based) framework for stochastic reaction-diffusion modeling. The formulae for the first collision time and the mean reaction time are derived for the case where three molecules are present in the solution under periodic boundary conditions. For the case of reflecting boundary conditions, similar formulae are obtained using a computer-assisted approach. The accuracy of these formulae is further verified through comparison with numerical results. The presented derivation is based on the first passage time analysis of Montroll [J. Math. Phys. 10, 753 (1969)]. Montroll's results for two-dimensional lattice-based random walks are adapted and applied to compartment-based models of trimolecular reactions, which are studied in one-dimensional or pseudo one-dimensional domains.

Study of the optimal reaction conditions for assay of the mouse alternative complement pathway

NARCIS (Netherlands)

Dijk, H. van; Rademaker, P.M.; Klerx, J.P.A.M.; Willers, J.M.M.

1985-01-01

The optimal reaction conditions for hemolytic assay of alternative complement pathway activity in mouse serum were investigated. A microtiter system was used, in which a number of 7.5×106 rabbit erythrocytes per test well appeared to be optimal. Rabbit erythrocytes were superior as target cells over

Conditioning of radioactive ash residue in a wave of solid-phase exothermal reactions

International Nuclear Information System (INIS)

Karlina, O.K.; Varlakova, G.A.; Ozhovan, M.I.; Tivanskij, V.M.; Dmitriev, S.A.

2001-01-01

The abilities for utilization of exothermic reaction heat in solid phase for conditioning the ash residue produced as a result of solid radioactive waste burning are analyzed. It is shown that the process of ash residue making monolithic with obtaining the glass-like finish product containing 50-60 mass % of ash residue which meets the requirements for solidified radioactive wastes may be realized without energy supplying from external heat sources. The conditioning is realized in a special crucible furnace-container designed not only for the process conducting but also for subsequent storage or disposal of the finish product [ru

Influence of reaction conditions on fast pyrolysis of macroalge

International Nuclear Information System (INIS)

Bae, Yoon Ju; Kim, Jung Hwan; Cho, Hye Jung; Ko, Jeong Huy; Heo, Hyeon Su; Park, Hye Jin; Park, Young Kwon

2010-01-01

Full text: The importance of renewable energy sources has increased rapidly due to the high international crude oil prices and environmental concerns over fossil fuel use. Recently, there has been a growing interest in aquatic biomass, especially marine macro algae, and a number of studies have been initiated to evaluate its potential for bio-energy. This paper reports a fast pyrolysis of macro algae under different reaction conditions such as pyrolysis temperature, particle size and sample quantity. Various macro algae such as Undaria pinnatifida, Laminaria japonica and Porphyra tenera were fast pyro lysed at temperatures between 300-600 degree Celsius in a batch reactor and the main product of bio-oil was obtained. The optimal reaction temperature for the production of bio-oil was 500 degree Celsius. At this temperature, the maximum bio-oil yields were 40.4 wt % ( by Undaria pinnatifida), 37.6 wt % (by Laminaria japonica) and 47.4 wt % (by Porphyra tenera), respectively. In particular, after pre-treatment with 2.0M HCl solution, the product yield of bio-oil was increased in macro algae, Undaria pinnatifida. The pyroylsis gases were analyzed by using GC-TCD and GC-FID and qualitative analyses of bio-oil were performed using GC-MS. The maximum yield of bio-oil, Undaria pinnatifida, Laminaria japonica and Porphyra tenera, was obtained at 500 degree Celsius (40.4 wt %, 37.6 wt % and 47.4 wt %, respectively). (author)

Preparation of ionic-crosslinked chitosan-based gel beads and effect of reaction conditions on drug release behaviors.

Science.gov (United States)

Chen, Shilan; Liu, Mingzhu; Jin, Shuping; Wang, Bin

2008-02-12

Drug-loaded chitosan (CS) beads were prepared under simple and mild condition using trisodium citrate as ionic crosslinker. The beads were further coated with poly(methacrylic acid) (PMAA) by dipping the beads in PMAA aqueous solution. The surface and cross-section morphology of these beads were observed by scanning electron microscopy and the observation showed that the coating beads had core-shell structure. In vitro release of model drug from these beads obtained under different reaction conditions was investigated in buffer medium (pH 1.8). The results showed that the rapid drug release was restrained by PMAA coating and the optimum conditions for preparing CS-based drug-loaded beads were decided through the effect of reaction conditions on the drug release behaviors. In addition, the drug release mechanism of CS-based drug-loaded beads was analyzed by Peppa's potential equation. According to this study, the ionic-crosslinked CS beads coated by PMAA could serve as suitable candidate for drug site-specific carrier in stomach.

Test plan for reactions between spent fuel and J-13 well water under unsaturated conditions

International Nuclear Information System (INIS)

Finn, P.A.; Wronkiewicz, D.J.; Hoh, J.C.; Emery, J.W.; Hafenrichter, L.D.; Bates, J.K.

1993-01-01

The Yucca Mountain Site Characterization Project is evaluating the long-term performance of a high-level nuclear waste form, spent fuel from commercial reactors. Permanent disposal of the spent fuel is possible in a potential repository to be located in the volcanic tuff beds near Yucca Mountain, Nevada. During the post-containment period the spent fuel could be exposed to water condensation since of the cladding is assumed to fail during this time. Spent fuel leach (SFL) tests are designed to simulate and monitor the release of radionuclides from the spent fuel under this condition. This Test Plan addresses the anticipated conditions whereby spent fuel is contacted by small amounts of water that trickle through the spent fuel container. Two complentary test plans are presented, one to examine the reaction of spent fuel and J-13 well water under unsaturated conditions and the second to examine the reaction of unirradiated UO 2 pellets and J-13 well water under unsaturated conditions. The former test plan examines the importance of the water content, the oxygen content as affected by radiolysis, the fuel burnup, fuel surface area, and temperature. The latter test plant examines the effect of the non-presence of Teflon in the test vessel

Tribological reactions of perfluoroalkyl polyether oils with stainless steel under ultrahigh vacuum conditions at room temperature

Science.gov (United States)

Mori, Shigeyuki; Morales, Wilfredo

1989-01-01

The reaction between three types of commercial perfluoroalkyl polyether (PFPE) oils and stainless steel 440C was investigated experimentally during sliding under ultrahigh vacuum conditions at room temperature. It is found that the tribological reaction of PFPE is mainly affected by the activity of the mechanically formed fresh surfaces of metals rather than the heat generated at the sliding contacts. The fluorides formed on the wear track act as a boundary layer, reducing the friction coefficient.

Reaction-diffusion fronts with inhomogeneous initial conditions

Energy Technology Data Exchange (ETDEWEB)

Bena, I [Departement de Physique Theorique, Universite de Geneve, CH-1211 Geneva 4 (Switzerland); Droz, M [Departement de Physique Theorique, Universite de Geneve, CH-1211 Geneva 4 (Switzerland); Martens, K [Departement de Physique Theorique, Universite de Geneve, CH-1211 Geneva 4 (Switzerland); Racz, Z [Institute for Theoretical Physics, Eoetvoes University, 1117 Budapest (Hungary)

2007-02-14

Properties of reaction zones resulting from A+B {yields} C type reaction-diffusion processes are investigated by analytical and numerical methods. The reagents A and B are separated initially and, in addition, there is an initial macroscopic inhomogeneity in the distribution of the B species. For simple two-dimensional geometries, exact analytical results are presented for the time evolution of the geometric shape of the front. We also show using cellular automata simulations that the fluctuations can be neglected both in the shape and in the width of the front.

Intraspecific variability and reaction norms of forest understory plant species traits

Science.gov (United States)

Burton, Julia I.; Perakis, Steven; McKenzie, Sean C.; Lawrence, Caitlin E.; Puettmann, Klaus J.

2017-01-01

Trait-based models of ecological communities typically assume intraspecific variation in functional traits is not important, though such variation can change species trait rankings along gradients in resources and environmental conditions, and thus influence community structure and function.We examined the degree of intraspecific relative to interspecific variation, and reaction norms of 11 functional traits for 57 forest understory plant species, including: intrinsic water-use efficiency (iWUE), Δ15N, 5 leaf traits, 2 stem traits and 2 root traits along gradients in light, nitrogen, moisture and understory cover.Our results indicate that interspecific trait variation exceeded intraspecific variation by at least 50% for most, but not all traits. Intraspecific variation in Δ15N, iWUE, leaf nitrogen content and root traits was high (47-70%) compared with most leaf traits and stem traits (13-38%).Δ15N varied primarily along gradients in abiotic conditions, while light and understory cover were relatively less important. iWUE was related primarily to light transmission, reflecting increases in photosynthesis relative to stomatal conductance. Leaf traits varied mainly as a function of light availability, with some reaction norms depending on understory cover. Plant height increased with understory cover, while stem specific density was related primarily to light. Resources, environmental conditions and understory cover did not contribute strongly to the observed variation in root traits.Gradients in resources, environmental conditions and competition all appear to control intraspecific variability in most traits to some extent. However, our results suggest that species cross-over (i.e., trait rank reversals) along the gradients measured here are generally not a concern.Intraspecific variability in understory plant species traits can be considerable. However, trait data collected under a narrow range of environmental conditions appears sufficient to establish species

Supervisors' attitudes and skills for active listening with regard to working conditions and psychological stress reactions among subordinate workers.

Science.gov (United States)

Mineyama, Sachiko; Tsutsumi, Akizumi; Takao, Soshi; Nishiuchi, Kyoko; Kawakami, Norito

2007-03-01

We investigated whether supervisors' listening attitudes and skills were related to working conditions and psychological stress reactions among their subordinates. The subjects included 41 male supervisors and their immediate subordinates (n=203). The supervisors completed a short version of the Active Listening Attitude Scale (ALAS) consisting of two subscales: Listening Attitude and Listening Skill for Active Listening. The subordinates rated working conditions and their psychological stress reactions using selected scales of the Job Content Questionnaire and the Brief Job Stress Questionnaire. Those subordinates who worked under supervisors with a higher score of Listening Attitude and Listening Skill reported a more favorable psychological stress reaction than those who worked under supervisors with a lower score of Listening Attitude and Listening Skill. Those subordinates who worked under supervisors with a higher score of Listening Skill reported higher worksite support than those who worked under supervisors with a lower score of Listening Skill. Those subordinates who worked under supervisors with a higher score of Listening Attitude reported higher job control than those who worked under supervisors with a lower score of Listening Attitude. A supervisor's listening attitude and skill appeared to affect psychological stress reactions predominantly among male subordinates than among female subordinates. Psychological stress reactions were lower among younger subordinates who worked under supervisors with high listening skill, while no statistically difference was observed among older subordinates. These findings suggest that a supervisor's listening attitude and skill have an effect on working conditions and psychological stress reactions among subordinates and that the effects vary according to the subordinates' sex and age.

The effect of catalytic reaction conditions on the incorporation of tritium in unsaturated compounds

Energy Technology Data Exchange (ETDEWEB)

Shevchenko, V P; Nagayev, I Yu; Myasoedov, N F [AN SSSR, Moscow (USSR). Inst. Molekulyarnoj Genetiki

1989-10-01

We have obtained multiple-tritium-labelled 5-{alpha}-androstan-3-one, dihydropicrotoxin, dimethyl-propyl-3-chloro-butyl-ammonium chloride, 2,2-di(trifluoromethyl)-3,3-dicyanobicyclohept(2,2,1)ane, dihydroalprenolol, undecanoic acid, dihydro-m,m'-di-tert.-butyl-p-coumaric acid and dihydrofusicoccin. By varying the conditions for the hydrogenation of terminal double bonds, one can considerably increase the molar radioactivity of such compounds through isotopic exchange. We discuss some tentative explanations of the effect of the labelling reaction conditions upon the synthesis of compounds with desired properties. (author).

The effect of catalytic reaction conditions on the incorporation of tritium in unsaturated compounds

International Nuclear Information System (INIS)

Shevchenko, V.P.; Nagayev, I.Yu.; Myasoedov, N.F.

1989-01-01

We have obtained multiple-tritium-labelled 5-α-androstan-3-one, dihydropicrotoxin, dimethyl-propyl-3-chloro-butyl-ammonium chloride, 2,2-di(trifluoromethyl)-3,3-dicyanobicyclohept[2,2,1]ane, dihydroalprenolol, undecanoic acid, dihydro-m,m'-di-tert.-butyl-p-coumaric acid and dihydrofusicoccin. By varying the conditions for the hydrogenation of terminal double bonds, one can considerably increase the molar radioactivity of such compounds through isotopic exchange. We discuss some tentative explanations of the effect of the labelling reaction conditions upon the synthesis of compounds with desired properties. (author)

Some conditions affecting the definition of design basis accidents relating to sodium/water reactions

International Nuclear Information System (INIS)

Bolt, P.R.

1984-01-01

The possible damaging effects of large sodium/water reactions on the steam generator, IHX and secondary circuit are considered. The conditions to be considered in defining the design basis accidents for these components are discussed, together with some of the assumptions that may be associated with design assessments of the scale of the accidents. (author)

Aligned carbon nanotube with electro-catalytic activity for oxygen reduction reaction

Science.gov (United States)

Liu, Di-Jia; Yang, Junbing; Wang, Xiaoping

2010-08-03

A catalyst for an electro-chemical oxygen reduction reaction (ORR) of a bundle of longitudinally aligned carbon nanotubes having a catalytically active transition metal incorporated longitudinally in said nanotubes. A method of making an electro-chemical catalyst for an oxygen reduction reaction (ORR) having a bundle of longitudinally aligned carbon nanotubes with a catalytically active transition metal incorporated throughout the nanotubes, where a substrate is in a first reaction zone, and a combination selected from one or more of a hydrocarbon and an organometallic compound containing an catalytically active transition metal and a nitrogen containing compound and an inert gas and a reducing gas is introduced into the first reaction zone which is maintained at a first reaction temperature for a time sufficient to vaporize material therein. The vaporized material is then introduced to a second reaction zone maintained at a second reaction temperature for a time sufficient to grow longitudinally aligned carbon nanotubes over the substrate with a catalytically active transition metal incorporated throughout the nanotubes.

Growth conditions determine the DNF2 requirement for symbiosis.

Directory of Open Access Journals (Sweden)

Fathi Berrabah

Full Text Available Rhizobia and legumes are able to interact in a symbiotic way leading to the development of root nodules. Within nodules, rhizobia fix nitrogen for the benefit of the plant. These interactions are efficient because spectacularly high densities of nitrogen fixing rhizobia are maintained in the plant cells. DNF2, a Medicago truncatula gene has been described as required for nitrogen fixation, bacteroid's persistence and to prevent defense-like reactions in the nodules. This manuscript shows that a Rhizobium mutant unable to differentiate is not sufficient to trigger defense-like reactions in this organ. Furthermore, we show that the requirement of DNF2 for effective symbiosis can be overcome by permissive growth conditions. The dnf2 knockout mutants grown in vitro on agarose or Phytagel as gelling agents are able to produce nodules fixing nitrogen with the same efficiency as the wild-type. However, when agarose medium is supplemented with the plant defense elicitor ulvan, the dnf2 mutant recovers the fix- phenotype. Together, our data show that plant growth conditions impact the gene requirement for symbiotic nitrogen fixation and suggest that they influence the symbiotic suppression of defense reactions in nodules.

Continuum spectra in light-ion reactions

Energy Technology Data Exchange (ETDEWEB)

Tamura, T.; Udagawa, T. [Texas Univ., Austin (USA). Dept. of Physics; Ikegami, H.; Muraoka, M [eds.

1980-01-01

Recent developments in the use of multi-step direct reaction method, to fit continuum cross sections of light-ion reactions, are reviewed. There has been a long-standing difficulty in reproducing sufficiently large (p, p') continuum cross section, but it has now been all but removed. It will be discussed in some detail, how this was achieved. Analyses of very recent data on analyzing powers in the continuum of (p, p') and (p, ..cap alpha..) reactions will also be discussed. Finally, analysis of the breakup of h into d and p will be presented.

Sufficient conditions for a period incrementing big bang bifurcation in one-dimensional maps

International Nuclear Information System (INIS)

Avrutin, V; Granados, A; Schanz, M

2011-01-01

Typically, big bang bifurcation occurs for one (or higher)-dimensional piecewise-defined discontinuous systems whenever two border collision bifurcation curves collide transversely in the parameter space. At that point, two (feasible) fixed points collide with one boundary in state space and become virtual, and, in the one-dimensional case, the map becomes continuous. Depending on the properties of the map near the codimension-two bifurcation point, there exist different scenarios regarding how the infinite number of periodic orbits are born, mainly the so-called period adding and period incrementing. In our work we prove that, in order to undergo a big bang bifurcation of the period incrementing type, it is sufficient for a piecewise-defined one-dimensional map that the colliding fixed points are attractive and with associated eigenvalues of different signs

Sufficient conditions for a period incrementing big bang bifurcation in one-dimensional maps

Science.gov (United States)

Avrutin, V.; Granados, A.; Schanz, M.

2011-09-01

Typically, big bang bifurcation occurs for one (or higher)-dimensional piecewise-defined discontinuous systems whenever two border collision bifurcation curves collide transversely in the parameter space. At that point, two (feasible) fixed points collide with one boundary in state space and become virtual, and, in the one-dimensional case, the map becomes continuous. Depending on the properties of the map near the codimension-two bifurcation point, there exist different scenarios regarding how the infinite number of periodic orbits are born, mainly the so-called period adding and period incrementing. In our work we prove that, in order to undergo a big bang bifurcation of the period incrementing type, it is sufficient for a piecewise-defined one-dimensional map that the colliding fixed points are attractive and with associated eigenvalues of different signs.

The Effect of Mg Addition and Manufacturing Conditions on the Interfacial Reactions between Al and CNT in Al-CNT Pellets

International Nuclear Information System (INIS)

Lim, Jung-Kyu; Choi, Soon-Yool; Choe, Kyong-Hwan; Cho, Gue-Serb; Kim, Sang-Sub

2013-01-01

In the present study, Al-CNT pellets were investigated to understand the effect of Mg addition and manufacturing conditions on the interfacial reactions between Al and CNTs in Al-CNT pellets. The pellets were heated and held at 700 °C and 800 °C for 2 hours under nitrogen (N_2) atmosphere. To confirm the reactions between Al and CNT in the pellets under different manufacturing conditions, the microstructures were observed by optical microscopy (OM) and field emission scanning electro microscopy (FESEM). And, the composition and reaction phases were analyzed by energy dispersive X-ray spectroscory (EDXS) and X-ray diffractometry (XRD). The presence of oxidation products and Mg on the surface of Al powder in the pellets appeared to prevent the formation of Al_4C_3. But, Al_4C_3 reaction products were increased due to the high temperature of 800 °C, which produced a high amount of reduced aluminium and increased the reaction areas between Al and CNT. The Al-CNT pellets compacted under air atmosphere prohibited the reaction between Al and CNT because of the high amount of oxidation products, such as MgO and MgAl_2O_4.

Factors that condition the spontaneous reporting of adverse drug reactions among nurses: an integrative review.

Science.gov (United States)

De Angelis, Alessia; Colaceci, Sofia; Giusti, Angela; Vellone, Ercole; Alvaro, Rosaria

2016-03-01

To describe and synthesise previous research on factors conditioning the spontaneous reporting of adverse drug reactions among nurses. Spontaneous reports of adverse drug reactions by health-care providers, are a main instrument for the continuous evaluation of the risk-benefit ratio of every drug. Under-reporting of adverse drug reactions by all health-care providers, in particular by nurses, is a major limitation to this system. An integrated review of the literature was conducted using MEDLINE, CINAHL, Embase, Scopus databases and Google Scholar. After evaluation for appropriateness related to inclusion/exclusion criteria, 16 studies were included in the final analysis and synthesis. Two factors emerged from the study: (1) intrinsic factors related to nurses' knowledge and attitudes; (2) extrinsic factors related to nurses' interaction with health-care organisations and to the relationship between nurses and physicians. Nurses' attitudes that hinder reporting include ignorance, insecurity, fear and lethargy. Nurses are not fully aware of their role in adverse drug reaction reporting. Nurses must acquire greater knowledge to implement specific skills into their daily clinical practice. To improve nurses' reporting of adverse drug reactions, it is necessary to develop management approaches that modify both intrinsic and extrinsic factors. © 2015 John Wiley & Sons Ltd.

Wang-Landau Reaction Ensemble Method: Simulation of Weak Polyelectrolytes and General Acid-Base Reactions.

Science.gov (United States)

Landsgesell, Jonas; Holm, Christian; Smiatek, Jens

2017-02-14

We present a novel method for the study of weak polyelectrolytes and general acid-base reactions in molecular dynamics and Monte Carlo simulations. The approach combines the advantages of the reaction ensemble and the Wang-Landau sampling method. Deprotonation and protonation reactions are simulated explicitly with the help of the reaction ensemble method, while the accurate sampling of the corresponding phase space is achieved by the Wang-Landau approach. The combination of both techniques provides a sufficient statistical accuracy such that meaningful estimates for the density of states and the partition sum can be obtained. With regard to these estimates, several thermodynamic observables like the heat capacity or reaction free energies can be calculated. We demonstrate that the computation times for the calculation of titration curves with a high statistical accuracy can be significantly decreased when compared to the original reaction ensemble method. The applicability of our approach is validated by the study of weak polyelectrolytes and their thermodynamic properties.

N,N-Diethyl-1-Tosyl-3-Indoleglyoxylamide as a Dienophile in Diels-Alder Reactions. Hyperbaric vs. Thermal Conditions

Directory of Open Access Journals (Sweden)

B. Biolatto

2000-03-01

Full Text Available Under high pressure conditions, the Diels-Alder reaction involving N,N-diethyl-1-tosyl-3-indoleglyoxylamide and 1-(N-acetyl-N-propylamino-1,3-butadiene produces a highly functionalized intermediate for the synthesis of Indole Alkaloids, in shorter times and higher yields than under thermal conditions.

The photochemical reaction of hydrocarbons under extreme thermobaric conditions

Science.gov (United States)

Serovaiskii, Aleksandr; Kolesnikov, Anton; Mukhina, Elena; Kutcherov, Vladimir

2017-10-01

The photochemical reaction of hydrocarbons was found to play an important role in the experiments with the synthetic petroleum conducted in Diamond Anvil Cell (DAC). Raman spectroscopy with a green laser (514.5 nm) was used for in situ sample analysis. This photochemical effect was investigated in the pressure range of 0.7-5 GPa, in the temperature interval from the ambient conditions to 450°C. The power of laser used in these experiment series was from 0.05 W to 0.6 W. The chemical transformation was observed when the necessary threshold pressure (~2.8 GPa) was reached. This transformation correlated with the luminescence appearance on the Raman spectra and a black opaque spot in the sample was observed in the place where the laser focus was forwarded. The exposure time and laser power (at least in the 0.1-0.5 W range) did not play a role in the 0.1-0.5 GPa range.

Contribution of Histidine and Lysine to the Generation of Volatile Compounds in Jinhua Ham Exposed to Ripening Conditions Via Maillard Reaction.

Science.gov (United States)

Zhu, Chao-Zhi; Zhao, Jing-Li; Tian, Wei; Liu, Yan-Xia; Li, Miao-Yun; Zhao, Gai-Ming

2018-01-01

To evaluate the role of Maillard reactions in the generation of flavor compounds in Jinhua ham, the reactions of glucose and ethanal with histidine and lysine, respectively, were studied by simulating the ripening conditions of Jinhua ham. The volatile products produced were analyzed using solid phase microextraction-gas chromatography/mass spectrometry. The results showed that 8 volatile compounds were generated by the reaction of glucose and histidine and 10 volatile compounds were generated by the reaction of glucose and lysine. Reactions of ethanal with lysine and with histidine both generated 31 volatile compounds that contributed to the flavor of Jinhua ham. This indicates that histidine and lysine related to Maillard reactions possibly play important roles in the generation of the unique flavor compounds in Jinhua ham. This research demonstrates that free amino acids participate in the generation of volatile compounds from Jinhua ham via the Maillard reaction and provides a basic mechanism to explain flavor formation in Jinhua ham. Jinhua ham is a well-known traditional Chinese dry-cured meat product. However, the formation of the compounds comprising its special flavor is not well understood. Our results indicate that Maillard reactions occur in Jinhua ham under ripening conditions. This work illustrates the contribution of Maillard reactions to the flavor of Jinhua ham. © 2017 Institute of Food Technologists®.

Energy self-sufficient sensory ball screw drive; Energieautarker sensorischer Kugelgewindetrieb

Energy Technology Data Exchange (ETDEWEB)

Bertram, Oliver

2012-07-01

Nowadays the availability of machine tools plays a decisive role in competition to increase in productivity. From state of the art it arises, that ball screw drives are the most abusive component in feed drives because of abrasive wear. Furthermore condition monitoring enables avoiding unplanned machine failure and increasing the availability of the deployed production facility. Thereby the application of additional sensors allows the direct acquisition of wear correlative measurements. To reduce the required effort for integration and increase the robustness, reliability and clarity in industrial environment energy self-sufficient sensor systems can be applied. In this thesis the development and investigation of an energy self-sufficient sensory ball screw drive with direct measurement of wear correlative pretension for condition monitoring application is described. The prototype measures the pretension with force sensors based on strain gauges. The sensor system includes microcontroller-based electronics for signal processing as well as wireless data transmission with ZigBee-standard. A hybrid system assures the energy supply of the sensor system. On the one hand a stepper motor generator produces electrical energy from the motion energy of the ball screw drive. On the other hand an energy buffer based on super caps is reloaded in stationary position by wireless energy transmission. For verification a prototype system is build up. In measurements the sensory and energetic characteristics of the energy self-sufficient sensor systems are analyzed. Moreover, the functionality of the ball screw drive as well as the signal characteristics of the force sensors are examined for different pretensions. In addition, pretension losses due to wear are established in realized endurance trials, which means that timely maintenance can be planned.

CO oxidation on PtSn nanoparticle catalysts occurs at the interface of Pt and Sn oxide domains formed under reaction conditions

KAUST Repository

Michalak, William D.

2014-04-01

The barrier to CO oxidation on Pt catalysts is the strongly bound adsorbed CO, which inhibits O2 adsorption and hinders CO2 formation. Using reaction studies and in situ X-ray spectroscopy with colloidally prepared, monodisperse ∼2 nm Pt and PtSn nanoparticle catalysts, we show that the addition of Sn to Pt provides distinctly different reaction sites and a more efficient reaction mechanism for CO oxidation compared to pure Pt catalysts. To probe the influence of Sn, we intentionally poisoned the Pt component of the nanoparticle catalysts using a CO-rich atmosphere. With a reaction environment comprised of 100 Torr CO and 40 Torr O2 and a temperature range between 200 and 300 C, Pt and PtSn catalysts exhibited activation barriers for CO2 formation of 133 kJ/mol and 35 kJ/mol, respectively. While pure Sn is readily oxidized and is not active for CO oxidation, the addition of Sn to Pt provides an active site for O2 adsorption that is important when Pt is covered with CO. Sn oxide was identified as the active Sn species under reaction conditions by in situ ambient pressure X-ray photoelectron spectroscopy measurements. While chemical signatures of Pt and Sn indicated intermixed metallic components under reducing conditions, Pt and Sn were found to reversibly separate into isolated domains of Pt and oxidic Sn on the nanoparticle surface under reaction conditions of 100 mTorr CO and 40 mTorr O2 between temperatures of 200-275 C. Under these conditions, PtSn catalysts exhibited apparent reaction orders in O2 for CO 2 production that were 0.5 and lower with increasing partial pressures. These reaction orders contrast the first-order dependence in O 2 known for pure Pt. The differences in activation barriers, non-first-order dependence in O2, and the presence of a partially oxidized Sn indicate that the enhanced activity is due to a reaction mechanism that occurs at a Pt/Sn oxide interface present at the nanoparticle surface. © 2014 Published by Elsevier Inc.

Organocatalytic aza-Michael/retro-aza-Michael reaction: pronounced chirality amplification in aza-Michael reaction and racemization via retro-aza-Michael reaction.

Science.gov (United States)

Cai, Yong-Feng; Li, Li; Luo, Meng-Xian; Yang, Ke-Fang; Lai, Guo-Qiao; Jiang, Jian-Xiong; Xu, Li-Wen

2011-05-01

A detailed experimental investigation of an aza-Michael reaction of aniline and chalcone is presented. A series of Cinchona alkaloid-derived organocatalysts with different functional groups were prepared and used in the aza-Michael and retro-aza-Michael reaction. There was an interesting finding that a complete reversal of stereoselectivity when a benzoyl group was introduced to the cinchonine and cinchonidine. The chirality amplification vs. time proceeds in the quinine-derived organocatalyst containing silicon-based bulky group, QN-TBS, -catalyzed aza-Michael reaction under solvent-free conditions. In addition, we have demonstrated for the first time that racemization was occurred in suitable solvents under mild conditions due to retro-aza-Michael reaction of the Michael adduct of aniline with chalcone. These indicate the equilibrium of retro-aza-Michael reaction and aza-Michael reaction produce the happening of chirality amplification in aza-Michael reaction and racemization via retro-aza-Michael reaction under different conditions, which would be beneficial to the development of novel chiral catalysts for the aza-Michael reactions. Copyright © 2011 Wiley-Liss, Inc.

Economic and environmental performance of oil transesterification in supercritical methanol at different reaction conditions: Experimental study with a batch reactor

International Nuclear Information System (INIS)

Tomic, Milan; Micic, Radoslav; Kiss, Ferenc; Dedovic, Nebojsa; Simikic, Mirko

2015-01-01

Highlights: • Influence of reaction parameters on FAME yields has been investigated. • The highest yield (93%) was achieved after 15 min at 350 °C and 12 MPa. • Models which predict with high certainty yields at different reaction conditions. • Economic and environmental performance of supercritical transesterification. • The lowest costs and impacts are always achieved at the highest yields. - Abstract: This study aims to investigate the influence of various reaction parameters (temperatures, working pressures and reaction time) on biodiesel yields and environmental and economic performance of rapeseed oil transesterification in supercritical methanol. Experiments were carried out in a laboratory-scale batch reactor. Results were statistically analysed and multiple regression models which describe and predict biodiesel yields with high certainty at different reaction conditions were provided. The highest biodiesel yield (93 wt%) was achieved at 350 °C and 12 MPa after 15 min of reaction. The lowest direct costs and life cycle environmental impacts (in terms of GHG emissions and fossil energy demand) are achieved at the highest yield due to the lowest oil consumption per unit of biodiesel produced. The results of sensitivity analysis showed that even at significantly lower oil feedstock prices this observation stands firm

Highly Regio- and Stereoselective Diels-Alder Cycloadditions via Two-Step and Multicomponent Reactions Promoted by Infrared Irradiation under Solvent-Free Conditions

Science.gov (United States)

Flores-Conde, Maria Ines; Reyes, Leonor; Herrera, Rafael; Rios, Hulme; Vazquez, Miguel A.; Miranda, Rene; Tamariz, Joaquin; Delgado, Francisco

2012-01-01

Infrared irradiation promoted the Diels-Alder cycloadditions of exo-2-oxazolidinone dienes 1–3 with the Knoevenagel adducts 4–6, as dienophiles, leading to the synthesis of new 3,5-diphenyltetrahydrobenzo[d]oxazol-2-one derivatives (7, 9, 11 and 13–17), under solvent-free conditions. These cycloadditions were performed with good regio- and stereoselectivity, favoring the para-endo cycloadducts. We also evaluated the one-pot three-component reaction of active methylene compounds 20, benzaldehydes 21 and exo-2-oxazolidinone diene 2 under the same reaction conditions. A cascade Knoevenagel condensation/Diels-Alder cycloaddition reaction was observed, resulting in the final adducts 13–16 in similar yields. These procedures are environmentally benign, because no solvent and no catalyst were employed in these processes. The regioselectivity of these reactions was rationalized by Frontier Molecular Orbital (FMO) calculations. PMID:22489113

Highly Regio- and Stereoselective Diels-Alder Cycloadditions via Two-Step and Multicomponent Reactions Promoted by Infrared Irradiation under Solvent-Free Conditions

Directory of Open Access Journals (Sweden)

Francisco Delgado

2012-02-01

Full Text Available Infrared irradiation promoted the Diels-Alder cycloadditions of exo-2-oxazolidinone dienes 1–3 with the Knoevenagel adducts 4–6, as dienophiles, leading to the synthesis of new 3,5-diphenyltetrahydrobenzo[d]oxazol-2-one derivatives (7, 9, 11 and 13–17, under solvent-free conditions. These cycloadditions were performed with good regio- and stereoselectivity, favoring the para-endo cycloadducts. We also evaluated the one-pot three-component reaction of active methylene compounds 20, benzaldehydes 21 and exo-2-oxazolidinone diene 2 under the same reaction conditions. A cascade Knoevenagel condensation/Diels-Alder cycloaddition reaction was observed, resulting in the final adducts 13–16 in similar yields. These procedures are environmentally benign, because no solvent and no catalyst were employed in these processes. The regioselectivity of these reactions was rationalized by Frontier Molecular Orbital (FMO calculations.

Proof of existence of global solutions for m-component reaction-diffusion systems with mixed boundary conditions via the Lyapunov functional method

International Nuclear Information System (INIS)

Abdelmalek, Salem; Kouachi, Said

2007-01-01

To prove global existence for solutions of m-component reaction-diffusion systems presents fundamental difficulties in the case in which some components of the system satisfy Neumann boundary conditions while others satisfy nonhomogeneous Dirichlet boundary conditions and nonhomogeneous Robin boundary conditions. The purpose of this paper is to prove the existence of a global solution using a single inequality for the polynomial growth condition of the reaction terms. Our technique is based on the construction of polynomial functionals. This result generalizes those obtained recently by Kouachi et al (at press), Kouachi (2002 Electron. J. Diff. Eqns 2002 1), Kouachi (2001 Electron. J. Diff. Eqns 2001 1) and independently by Malham and Xin (1998 Commun. Math. Phys. 193 287)

Identification of alterations in the Jacobian of biochemical reaction networks from steady state covariance data at two conditions.

Science.gov (United States)

Kügler, Philipp; Yang, Wei

2014-06-01

Model building of biochemical reaction networks typically involves experiments in which changes in the behavior due to natural or experimental perturbations are observed. Computational models of reaction networks are also used in a systems biology approach to study how transitions from a healthy to a diseased state result from changes in genetic or environmental conditions. In this paper we consider the nonlinear inverse problem of inferring information about the Jacobian of a Langevin type network model from covariance data of steady state concentrations associated to two different experimental conditions. Under idealized assumptions on the Langevin fluctuation matrices we prove that relative alterations in the network Jacobian can be uniquely identified when comparing the two data sets. Based on this result and the premise that alteration is locally confined to separable parts due to network modularity we suggest a computational approach using hybrid stochastic-deterministic optimization for the detection of perturbations in the network Jacobian using the sparsity promoting effect of [Formula: see text]-penalization. Our approach is illustrated by means of published metabolomic and signaling reaction networks.

Rock-fluid chemical interactions at reservoir conditions: The influence of brine chemistry and extent of reaction

Science.gov (United States)

Anabaraonye, B. U.; Crawshaw, J.; Trusler, J. P. M.

2016-12-01

Following carbon dioxide injection in deep saline aquifers, CO2 dissolves in the formation brines forming acidic solutions that can subsequently react with host reservoir minerals, altering both porosity and permeability. The direction and rates of these reactions are influenced by several factors including properties that are associated with the brine system. Consequently, understanding and quantifying the impacts of the chemical and physical properties of the reacting fluids on overall reaction kinetics is fundamental to predicting the fate of the injected CO2. In this work, we present a comprehensive experimental study of the kinetics of carbonate-mineral dissolution in different brine systems including sodium chloride, sodium sulphate and sodium bicarbonate of varying ionic strengths. The impacts of the brine chemistry on rock-fluid chemical reactions at different extent of reactions are also investigated. Using a rotating disk technique, we have investigated the chemical interactions between the CO2-saturated brines and carbonate minerals at conditions of pressure (up to 10 MPa) and temperature (up to 373 K) pertinent to carbon storage. The changes in surface textures due to dissolution reaction were studied by means of optical microscopy and vertical scanning interferometry. Experimental results are compared to previously derived models.

An effective rate equation approach to reaction kinetics in small volumes: theory and application to biochemical reactions in nonequilibrium steady-state conditions.

Science.gov (United States)

Grima, R

2010-07-21

Chemical master equations provide a mathematical description of stochastic reaction kinetics in well-mixed conditions. They are a valid description over length scales that are larger than the reactive mean free path and thus describe kinetics in compartments of mesoscopic and macroscopic dimensions. The trajectories of the stochastic chemical processes described by the master equation can be ensemble-averaged to obtain the average number density of chemical species, i.e., the true concentration, at any spatial scale of interest. For macroscopic volumes, the true concentration is very well approximated by the solution of the corresponding deterministic and macroscopic rate equations, i.e., the macroscopic concentration. However, this equivalence breaks down for mesoscopic volumes. These deviations are particularly significant for open systems and cannot be calculated via the Fokker-Planck or linear-noise approximations of the master equation. We utilize the system-size expansion including terms of the order of Omega(-1/2) to derive a set of differential equations whose solution approximates the true concentration as given by the master equation. These equations are valid in any open or closed chemical reaction network and at both the mesoscopic and macroscopic scales. In the limit of large volumes, the effective mesoscopic rate equations become precisely equal to the conventional macroscopic rate equations. We compare the three formalisms of effective mesoscopic rate equations, conventional rate equations, and chemical master equations by applying them to several biochemical reaction systems (homodimeric and heterodimeric protein-protein interactions, series of sequential enzyme reactions, and positive feedback loops) in nonequilibrium steady-state conditions. In all cases, we find that the effective mesoscopic rate equations can predict very well the true concentration of a chemical species. This provides a useful method by which one can quickly determine the

Hot-Fire Testing of 100 LB(sub F) LOX/LCH4 Reaction Control Engine at Altitude Conditions

Science.gov (United States)

Marshall, William M.; Kleinhenz, Julie E.

2010-01-01

Liquid oxygen/liquid methane (LO2/LCH4 ) has recently been viewed as a potential green propulsion system for both the Altair ascent main engine (AME) and reaction control system (RCS). The Propulsion and Cryogenic Advanced Development Project (PCAD) has been tasked by NASA to develop these green propellant systems to enable safe and cost effective exploration missions. However, experience with LO2/LCH4 as a propellant combination is limited, so testing of these systems is critical to demonstrating reliable ignition and performance. A test program of a 100 lb f reaction control engine (RCE) is underway at the Altitude Combustion Stand (ACS) of the NASA Glenn Research Center, with a focus on conducting tests at altitude conditions. These tests include a unique propellant conditioning feed system (PCFS) which allows for the inlet conditions of the propellant to be varied to test warm to subcooled liquid propellant temperatures. Engine performance, including thrust, c* and vacuum specific impulse (I(sub sp,vac)) will be presented as a function of propellant temperature conditions. In general, the engine performed as expected, with higher performance at warmer propellant temperatures but better efficiency at lower propellant temperatures. Mixture ratio effects were inconclusive within the uncertainty bands of data, but qualitatively showed higher performance at lower ratios.

A proposed abiotic reaction scheme for hydroxylamine and monochloramine under chloramination relevant drinking water conditions.

Science.gov (United States)

Wahman, David G; Speitel, Gerald E; Machavaram, Madhav V

2014-09-01

Drinking water monochloramine (NH2Cl) use may promote ammonia-oxidizing bacteria (AOB). AOB use (i) ammonia monooxygenase for biological ammonia (NH3) oxidation to hydroxylamine (NH2OH) and (ii) hydroxylamine oxidoreductase for NH2OH oxidation to nitrite. NH2Cl and NH2OH may react, providing AOB potential benefits and detriments. The NH2Cl/NH2OH reaction would benefit AOB by removing the disinfectant (NH2Cl) and releasing their growth substrate (NH3), but the NH2Cl/NH2OH reaction would also provide a possible additional inactivation mechanism besides direct NH2Cl reaction with cells. Because biological NH2OH oxidation supplies the electrons required for biological NH3 oxidation, the NH2Cl/NH2OH reaction provides a direct mechanism for NH2Cl to inhibit NH3 oxidation, starving the cell of reductant by preventing biological NH2OH oxidation. To investigate possible NH2Cl/NH2OH reaction implications on AOB, an understanding of the underlying abiotic reaction is first required. The present study conducted a detailed literature review and proposed an abiotic NH2Cl/NH2OH reaction scheme (RS) for chloramination relevant drinking water conditions (μM concentrations, air saturation, and pH 7-9). Next, RS literature based kinetics and end-products were evaluated experimentally between pHs 7.7 and 8.3, representing (i) the pH range for future experiments with AOB and (ii) mid-range pHs typically found in chloraminated drinking water. In addition, a (15)N stable isotope experiment was conducted to verify nitrous oxide and nitrogen gas production and their nitrogen source. Finally, the RS was slightly refined using the experimental data and an AQUASIM implemented kinetic model. A chloraminated drinking water relevant RS is proposed and provides the abiotic reaction foundation for future AOB biotic experiments. Published by Elsevier Ltd.

Sufficiency and Duality for Multiobjective Programming under New Invexity

Directory of Open Access Journals (Sweden)

Yingchun Zheng

2016-01-01

Full Text Available A class of multiobjective programming problems including inequality constraints is considered. To this aim, some new concepts of generalized F,P-type I and F,P-type II functions are introduced in the differentiable assumption by using the sublinear function F. These new functions are used to establish and prove the sufficient optimality conditions for weak efficiency or efficiency of the multiobjective programming problems. Moreover, two kinds of dual models are formulated. The weak dual, strong dual, and strict converse dual results are obtained under the aforesaid functions.

On the length dependence of bridge-mediated electron transfer reactions

International Nuclear Information System (INIS)

Petrov, E.G.; Shevchenko, Ye.V.; May, V.

2003-01-01

Bridge-mediated nonadiabatic donor-acceptor (D-A) electron transfer (ET) is studied for the case of a regular molecular bridge of N identical units. It is shown that the multi-exponential ET kinetics reduces to a single-exponential transfer if, and only if, the integral population of the bridge remains small (less than 10 -2 ). An analytical expression for the overall D-A ET rate is derived and the necessary and sufficient conditions are formulated at which the rate is given as a sum of a superexchange and a sequential contribution. To describe experimental data on the N-dependence of ET reactions an approximate form of the overall transfer rate is derived. This expression is used to reproduce experimental data on distant ET through polyproline chains. Finally it is noted that the obtained analytical results can also be used for the description of more complex two-electron transfer reactions if the latter comprises separate single-electron pathways

Characterization and emulsifying properties of β-lactoglobulin-gum Acacia Seyal conjugates prepared via the Maillard reaction.

Science.gov (United States)

Bi, Binwei; Yang, Hao; Fang, Yapeng; Nishinari, Katsuyoshi; Phillips, Glyn O

2017-01-01

Gum Acacia Seyal (ASY) is less valued than is gum Acacia Senegal, due to its poor emulsifying ability. The present study investigated the Maillard reaction between ASY and β-lactoglobulin (BLG) and its impact on the emulsifying properties of ASY. The reaction products of BLG/ASY mixture (r=1/4), prepared by dry-heating at 60°C and a relative humidity of 79%, as a function of incubation time, were characterized by SDS-PAGE, GPC-MALLS and DSC. The results showed that 12-24h of dry-heating under the given conditions was sufficient for conjugation, meanwhile avoiding the formation of deeply coloured and insoluble melanoidins. More than 64% of the protein was incorporated into ASY, resulting in a two-fold increase in arabinogalactan-protein (AGP) content and 3.5 times increase in weight-average molecular mass of ASY. The conjugation with BLG markedly improved the stability of ASY-stabilized emulsions and their resistance against severe conditions, such as low pH and high saline conditions. Copyright © 2016 Elsevier Ltd. All rights reserved.

A Necessary Condition for Coexistence of Autocatalytic Replicators in a Prebiotic Environment

Science.gov (United States)

Hernandez, Andres F.; Grover, Martha A.

2013-01-01

A necessary, but not sufficient, mathematical condition for the coexistence of short replicating species is presented here. The mathematical condition is obtained for a prebiotic environment, simulated as a fed-batch reactor, which combines monomer recycling, variable reaction order and a fixed monomer inlet flow with two replicator types and two monomer types. An extensive exploration of the parameter space in the model validates the robustness and efficiency of the mathematical condition, with nearly 1.7% of parameter sets meeting the condition and half of those exhibiting sustained coexistence. The results show that it is possible to generate a condition of coexistence, where two replicators sustain a linear growth simultaneously for a wide variety of chemistries, under an appropriate environment. The presence of multiple monomer types is critical to sustaining the coexistence of multiple replicator types. PMID:25369813

The Role of Sister Cities' Staff Exchanges in Developing "Learning Cities": Exploring Necessary and Sufficient Conditions in Social Capital Development Utilizing Proportional Odds Modeling.

Science.gov (United States)

Buckley, Patrick Henry; Takahashi, Akio; Anderson, Amy

2015-06-24

In the last half century former international adversaries have become cooperators through networking and knowledge sharing for decision making aimed at improving quality of life and sustainability; nowhere has this been more striking then at the urban level where such activity is seen as a key component in building "learning cities" through the development of social capital. Although mega-cities have been leaders in such efforts, mid-sized cities with lesser resource endowments have striven to follow by focusing on more frugal sister city type exchanges. The underlying thesis of our research is that great value can be derived from city-to-city exchanges through social capital development. However, such a study must differentiate between necessary and sufficient conditions. Past studies assumed necessary conditions were met and immediately jumped to demonstrating the existence of structural relationships by measuring networking while further assuming that the existence of such demonstrated a parallel development of cognitive social capital. Our research addresses this lacuna by stepping back and critically examining these assumptions. To accomplish this goal we use a Proportional Odds Modeling with a Cumulative Logit Link approach to demonstrate the existence of a common latent structure, hence asserting that necessary conditions are met.

Swelling behavior of PEMFC during conditioning

Directory of Open Access Journals (Sweden)

J. Parrondo

2007-09-01

Full Text Available Polymeric cation exchange membranes (PEMFC are used in fuel cell technology. These membranes act as a physical barrier between anode and cathode, but diffusion through the membrane should allow protons to be carried from anode to cathode at a rate sufficient to supply energy requirements. They avoid any direct reaction of oxygen and hydrogen that would diminish fuel cell efficiency. Membranes have to be conditioned before use. This conditioning step changes membrane counterions and modifies their water content, which has an effect on their diffusion coefficients. In order to analyse and quantify the effect of conditioning techniques on membrane performance various experiments with Nafion 117 cation exchange membranes were carried out. Membranes were conditioned using various methods to change the charged cation in the membrane. The reactives used were ultrapure water, nitric acid, hydrochloric acid, hydrogen peroxide, sodium chloride, potassium chloride and ethylene glycol, all at room temperature. Some conditioning methods were carried out using solvents heated to 100 ºC. Water content was indirectly monitored by measuring membrane swelling. Results show that membrane conditioning with strong acids followed by treatment with water increases membrane water content by about 5%. Using high-temperature treatment the water content also increases. Water uptake or release from membranes is analysed in terms of water activity.

Sufficient Condition for Monotonicity in Constructing the Distribution Function With Bernoulli Scheme

Directory of Open Access Journals (Sweden)

Vedenyapin Aleksandr Dmitrievich

2015-11-01

by the function r(x, kmin: Pnk=Сnk[P(r(x, kmin]k[1-P(r(x, kmin]n-k. We defined the probability that the total index change will be in the section [x, nS] as the sum of the probabilities of incompatible events, for which the number of successes satisfies to entered inequality. Then obviously we defined the probability that the total index changing will be in the interval [nI, x. Then the function F(x was introduced, defined on the whole line, which is identical to the amount (probability that the total index changing will be in the interval in the interval (nI, nS], and is identical to zero and one in the additions. Some properties of the distribution function F(x are satisfied automatically. A sufficient condition for the monotonicity is presented in the form of Theorem 2.

Sufficient Descent Conjugate Gradient Methods for Solving Convex Constrained Nonlinear Monotone Equations

Directory of Open Access Journals (Sweden)

San-Yang Liu

2014-01-01

Full Text Available Two unified frameworks of some sufficient descent conjugate gradient methods are considered. Combined with the hyperplane projection method of Solodov and Svaiter, they are extended to solve convex constrained nonlinear monotone equations. Their global convergence is proven under some mild conditions. Numerical results illustrate that these methods are efficient and can be applied to solve large-scale nonsmooth equations.

Exponential Stability for Impulsive BAM Neural Networks with Time-Varying Delays and Reaction-Diffusion Terms

Directory of Open Access Journals (Sweden)

Qiankun Song

2007-06-01

Full Text Available Impulsive bidirectional associative memory neural network model with time-varying delays and reaction-diffusion terms is considered. Several sufficient conditions ensuring the existence, uniqueness, and global exponential stability of equilibrium point for the addressed neural network are derived by M-matrix theory, analytic methods, and inequality techniques. Moreover, the exponential convergence rate index is estimated, which depends on the system parameters. The obtained results in this paper are less restrictive than previously known criteria. Two examples are given to show the effectiveness of the obtained results.

Exponential Stability for Impulsive BAM Neural Networks with Time-Varying Delays and Reaction-Diffusion Terms

Directory of Open Access Journals (Sweden)

Cao Jinde

2007-01-01

Full Text Available Impulsive bidirectional associative memory neural network model with time-varying delays and reaction-diffusion terms is considered. Several sufficient conditions ensuring the existence, uniqueness, and global exponential stability of equilibrium point for the addressed neural network are derived by M-matrix theory, analytic methods, and inequality techniques. Moreover, the exponential convergence rate index is estimated, which depends on the system parameters. The obtained results in this paper are less restrictive than previously known criteria. Two examples are given to show the effectiveness of the obtained results.

Lie and Q-Conditional Symmetries of Reaction-Diffusion-Convection Equations with Exponential Nonlinearities and Their Application for Finding Exact Solutions

Directory of Open Access Journals (Sweden)

Roman Cherniha

2018-04-01

Full Text Available This review is devoted to search for Lie and Q-conditional (nonclassical symmetries and exact solutions of a class of reaction-diffusion-convection equations with exponential nonlinearities. A complete Lie symmetry classification of the class is derived via two different algorithms in order to show that the result depends essentially on the type of equivalence transformations used for the classification. Moreover, a complete description of Q-conditional symmetries for PDEs from the class in question is also presented. It is shown that all the well-known results for reaction-diffusion equations with exponential nonlinearities follow as particular cases from the results derived for this class of reaction-diffusion-convection equations. The symmetries obtained for constructing exact solutions of the relevant equations are successfully applied. The exact solutions are compared with those found by means of different techniques. Finally, an application of the exact solutions for solving boundary-value problems arising in population dynamics is presented.

Influence of reaction conditions and type of alcohol on biodiesel yields and process economics of supercritical transesterification

International Nuclear Information System (INIS)

Micic, Radoslav D.; Tomić, Milan D.; Kiss, Ferenc E.; Nikolić-Djorić, Emilija B.; Simikić, Mirko Ð.

2014-01-01

Highlights: • Transesterification in supercritical methanol, ethanol and 1-propanol investigated. • Effect of alcohol, reaction temperature, pressure and time on yields analyzed. • Temperature has the highest impact on yield, followed by time and pressure. • Direct material and energy costs for each of the production alternatives estimated. • Lowest costs are achieved at highest yields even at very low oil prices. - Abstract: Experiments with transesterification of rapeseed oil in supercritical alcohols (methanol, ethanol and 1-propanol) were carried out in a batch reactor at various reaction temperatures (250–350 °C), working pressure (8–12 MPa), reaction time, and constant 42:1 alcohol to oil molar ratio. Influence of different alcohols and reaction conditions on biodiesel yield was investigated using linear multiple regression models. Temperature had the highest impact on yields, followed by reaction time and pressure. With increased molecular weight of alcohols, relative importance of temperature for explanation of yields decreased and relative importance of time and pressure increased. Economic assessment has revealed that transesterification in supercritical methanol has the lowest direct material and energy costs. Yield has crucial impact on process economics. Direct costs decrease with increase in biodiesel yields. Even at very low prices of oil feedstock the lowest cost is achieved at the highest yield

A more robust model of the biodiesel reaction, allowing identification of process conditions for significantly enhanced rate and water tolerance.

Science.gov (United States)

Eze, Valentine C; Phan, Anh N; Harvey, Adam P

2014-03-01

A more robust kinetic model of base-catalysed transesterification than the conventional reaction scheme has been developed. All the relevant reactions in the base-catalysed transesterification of rapeseed oil (RSO) to fatty acid methyl ester (FAME) were investigated experimentally, and validated numerically in a model implemented using MATLAB. It was found that including the saponification of RSO and FAME side reactions and hydroxide-methoxide equilibrium data explained various effects that are not captured by simpler conventional models. Both the experiment and modelling showed that the "biodiesel reaction" can reach the desired level of conversion (>95%) in less than 2min. Given the right set of conditions, the transesterification can reach over 95% conversion, before the saponification losses become significant. This means that the reaction must be performed in a reactor exhibiting good mixing and good control of residence time, and the reaction mixture must be quenched rapidly as it leaves the reactor. Copyright © 2014 Elsevier Ltd. All rights reserved.

Can New Zealand achieve self-sufficiency in its nursing workforce?

Science.gov (United States)

North, Nicola

2011-01-01

This paper reviews impacts on the nursing workforce of health policy and reforms of the past two decades and suggests reasons for both current difficulties in retaining nurses in the workforce and measures to achieve short-term improvements. Difficulties in retaining nurses in the New Zealand workforce have contributed to nursing shortages, leading to a dependence on overseas recruitment. In a context of global shortages and having to compete in a global nursing labour market, an alternative to dependence on overseas nurses is self-sufficiency. Discursive paper. Analysis of nursing workforce data highlighted threats to self-sufficiency, including age structure, high rates of emigration of New Zealand nurses with reliance on overseas nurses and an annual output of nurses that is insufficient to replace both expected retiring nurses and emigrating nurses. A review of recent policy and other documents indicates that two decades of health reform and lack of a strategic focus on nursing has contributed to shortages. Recent strategic approaches to the nursing workforce have included workforce stocktakes, integrated health workforce development and nursing workforce projections, with a single authority now responsible for planning, education, training and development for all health professions and sectors. Current health and nursing workforce development strategies offer wide-ranging and ambitious approaches. An alternative approach is advocated: based on workforce data analysis, pressing threats to self-sufficiency and measures available are identified to achieve, in the short term, the maximum impact on retaining nurses. A human resources in health approach is recommended that focuses on employment conditions and professional nursing as well as recruitment and retention strategies. Nursing is identified as 'crucial' to meeting demands for health care. A shortage of nurses threatens delivery of health services and supports the case for self-sufficiency in the nursing

A variational approach to bifurcation points of a reaction-diffusion system with obstacles and neumann boundary conditions

Czech Academy of Sciences Publication Activity Database

Eisner, Jan; Kučera, Milan; Väth, Martin

2016-01-01

Roč. 61, č. 1 (2016), s. 1-25 ISSN 0862-7940 R&D Projects: GA ČR GA13-12580S Institutional support: RVO:67985904 ; RVO:67985840 Keywords : reaction-diffusion system * unlateral condition * variational inequality Subject RIV: EG - Zoology; BA - General Mathematics (MU-W) Impact factor: 0.618, year: 2016

QuadraPure-Supported Palladium Nanocatalysts for Microwave-Promoted Suzuki Cross-Coupling Reaction under Aerobic Condition

Directory of Open Access Journals (Sweden)

Kin Hong Liew

2014-01-01

Full Text Available Cross-linked resin-captured palladium (XL-QPPd was readily prepared by simple physical adsorption onto the high loading QuadraPure macroporous resin and a subsequent reduction process. To enhance the mechanical stability, entrapped palladium nanocatalysts were cross-linked with succinyl chloride. Both transmission electron microscopy images and X-ray diffraction analysis revealed that the palladium nanoparticles were well dispersed with diameters ranging in 4–10 nm. The catalyst performed good catalytic activity in microwave-promoted Suzuki cross-coupling reactions in water under aerobic condition with mild condition by using various aryl halides and phenylboronic acid. In addition, the catalyst showed an excellent recyclability without significant loss of catalytic activity.

Dirac's minimum degree condition restricted to claws

NARCIS (Netherlands)

Broersma, Haitze J.; Ryjacek, Z.; Schiermeyer, I.

1997-01-01

Let G be a graph on n 3 vertices. Dirac's minimum degree condition is the condition that all vertices of G have degree at least . This is a well-known sufficient condition for the existence of a Hamilton cycle in G. We give related sufficiency conditions for the existence of a Hamilton cycle or a

Outcome of homogeneous and heterogeneous reactions in Darcy-Forchheimer flow with nonlinear thermal radiation and convective condition

Science.gov (United States)

Hayat, T.; Shah, Faisal; Alsaedi, A.; Hussain, Zakir

The present analysis aims to report the consequences of nonlinear radiation, convective condition and heterogeneous-homogeneous reactions in Darcy-Forchheimer flow over a non-linear stretching sheet with variable thickness. Non-uniform magnetic field and nonuniform heat generation/absorption are accounted. The governing boundary layer partial differential equations are converted into a system of nonlinear ordinary differential equations. The computations are organized and the effects of physical variables such as thickness parameter, power index, Hartman number, inertia and porous parameters, radiation parameter, Biot number, Prandtl number, ratio parameter, heat generation parameter and homogeneous-heterogeneous reaction parameter are investigated. The variations of skin friction coefficient and Nusselt number for different interesting variables are plotted and discussed. It is noticed that Biot number and heat generation variable lead to enhance the temperature distribution. The solutal boundary layer thickness decreases for larger homogeneous variable while reverse trend is seen for heterogeneous reaction.

Sufficient Conditions for Vertical Composition of Security Protocols (Extended Version)

DEFF Research Database (Denmark)

Mödersheim, Sebastian Alexander; Viganò, Luca

a certain kind of channel as a goal and another secure protocol P2 that assumes this kind of channel, can we then derive that their vertical composition P2[P1] is secure? It is well known that protocol composition can lead to attacks even when the individual protocols are all secure in isolation......Vertical composition of security protocols means that an application protocol (e.g., a banking service) runs over a channel established by another protocol (e.g., a secure channel provided by TLS). This naturally gives rise to a compositionality question: given a secure protocol P1 that provides....... In this paper, we formalize seven easy-to-check static conditions that support a large class of channels and applications and that we prove to be su_cient for vertical security protocol composition....

Effect of thermal treatment conditions on properties of vanadium molybdenum oxide catalyst in acrolein oxidation reaction to acrylic acid

International Nuclear Information System (INIS)

Gorshkova, T.P.; Tarasova, D.V.; Olen'kova, I.P.; Andrushkevich, T.V.; Nikoro, T.A.

1984-01-01

The effect of thermal treatment conditions (temperature and gas medium) on properties of vanadium molybdenum oxide catalyst in acrolein oxidation reaction to acrylic acid is investigated. It is shown that active and selective catalysts are formed in the course of thermal decomposition of the drying product of ammonium metavanadate and paramolybdate under the conditions ensuring the vanadium ion reduction up to tetravalent state with conservation of molybdenum oxidation degree equal to 6. It is possible to realize it either by treatment of the catalyst calcinated in the air flow at 300 deg by the reaction mixture at the activation stage or by gas-reducer flow treatment at 280 deg. Thermal treatment in the reducing medium of the oxidized catalyst does not lead to complete regeneration of its properties

Influence of refreshment/activation cycles and temperature rise on the reaction rate of sodium hypochlorite with bovine dentine during ultrasonic activated irrigation.

Science.gov (United States)

Macedo, R G; Verhaagen, B; Wesselink, P R; Versluis, M; van der Sluis, L W M

2014-02-01

To evaluate the effect of multiple refreshment/activation cycles and temperature on the reaction rate of sodium hypochlorite (NaOCl) with bovine dentine during ultrasonic activated irrigation (UAI) under laboratory conditions. The root canal walls of 24 standardized root canals in bovine incisors were exposed to a standardized volume of NaOCl at different temperatures (24 °C and 38 °C) and exposure times (20, 60 and 180 s). The irrigant was refreshed and ultrasonically activated four times for 20 s followed by a 40 s rest interval, with no refreshment and no activation as the controls. The reaction rate was determined by measuring the amount of active chlorine in the NaOCl solution before and after being exposed to dentine during the specific experimental conditions. Calorimetry was used to measure the electrical-to-sonochemical conversion efficiency during ultrasonic activation. Refreshment, activation and exposure time all increased the reaction rate of NaOCl (P reaction rate of NaOCl (P > 0.125). The reaction rate of NaOCl with dentine is enhanced by refreshment, ultrasonic activation and exposure time. Temperature rise of irrigant during ultrasonic activation was not sufficient to alter the reaction rate. © 2013 International Endodontic Journal. Published by John Wiley & Sons Ltd.

Kiss-induced severe anaphylactic reactions

Directory of Open Access Journals (Sweden)

Atanasković-Marković Marina

2010-01-01

Full Text Available Introduction. Ingestion is the principal route for food allergens to trigger allergic reaction in atopic persons. However, in some highly sensitive patients severe symptoms may develop upon skin contact and by inhalation. The clinical spectrum ranges from mild facial urticaria and angioedema to life-threatening anaphylactic reactions. Outline of Cases. We describe cases of severe anaphylactic reactions by skin contact, induced by kissing in five children with prior history of severe anaphylaxis caused by food ingestion. These cases were found to have the medical history of IgE mediated food allergy, a very high total and specific serum IgE level and very strong family history of allergy. Conclusion. The presence of tiny particles of food on the kisser's lips was sufficient to trigger an anaphylactic reaction in sensitized children with prior history of severe allergic reaction caused by ingestion of food. Allergic reaction provoked with food allergens by skin contact can be a risk factor for generalized reactions. Therefore, extreme care has to be taken in avoiding kissing allergic children after eating foods to which they are highly allergic. Considering that kissing can be a cause of severe danger for the food allergic patient, such persons should inform their partners about the risk factor for causing their food hypersensitivity.

Staple Food Self-Sufficiency of Farmers Household Level in The Great Solo

Science.gov (United States)

Darsono

2017-04-01

Analysis of food security level of household is a novelty of measurement standards which usually includes regional and national levels. With household approach is expected to provide the basis of sharp food policy formulation. The purpose of this study are to identify the condition of self-sufficiency in staple foods, and to find the main factors affecting the dynamics of self-sufficiency in staple foods on farm household level in Great Solo. Using primary data from 50 farmers in the sample and secondary data in Great Solo (Surakarta city, Boyolali, Sukoharjo, Karanganyar, Wonogiri, Sragen and Klaten). Compiled panel data were analyzed with linear probability regression models to produce a good model. The results showed that farm households in Great Solo has a surplus of staple food (rice) with an average consumption rate of 96.8 kg/capita/year. This number is lower than the national rate of 136.7 kg/capita/year. The main factors affecting the level of food self-sufficiency in the farmer household level are: rice production, rice consumption, land tenure, and number of family members. Key recommendations from this study are; improvement scale of the land cultivation for rice farming and non-rice diversification consumption.

Self-sufficiency, free trade and safety.

Science.gov (United States)

Rautonen, Jukka

2010-01-01

The relationship between free trade, self-sufficiency and safety of blood and blood components has been a perennial discussion topic in the blood service community. Traditionally, national self-sufficiency has been perceived as the ultimate goal that would also maximize safety. However, very few countries are, or can be, truly self-sufficient when self-sufficiency is understood correctly to encompass the whole value chain from the blood donor to the finished product. This is most striking when plasma derived medicines are considered. Free trade of blood products, or competition, as such can have a negative or positive effect on blood safety. Further, free trade of equipment and reagents and several plasma medicines is actually necessary to meet the domestic demand for blood and blood derivatives in most countries. Opposing free trade due to dogmatic reasons is not in the best interest of any country and will be especially harmful for the developing world. Competition between blood services in the USA has been present for decades. The more than threefold differences in blood product prices between European blood services indicate that competition is long overdue in Europe, too. This competition should be welcomed but carefully and proactively regulated to avoid putting safe and secure blood supply at risk. Copyright 2009 The International Association for Biologicals. Published by Elsevier Ltd. All rights reserved.

Optimizing Chemical Reactions with Deep Reinforcement Learning.

Science.gov (United States)

Zhou, Zhenpeng; Li, Xiaocheng; Zare, Richard N

2017-12-27

Deep reinforcement learning was employed to optimize chemical reactions. Our model iteratively records the results of a chemical reaction and chooses new experimental conditions to improve the reaction outcome. This model outperformed a state-of-the-art blackbox optimization algorithm by using 71% fewer steps on both simulations and real reactions. Furthermore, we introduced an efficient exploration strategy by drawing the reaction conditions from certain probability distributions, which resulted in an improvement on regret from 0.062 to 0.039 compared with a deterministic policy. Combining the efficient exploration policy with accelerated microdroplet reactions, optimal reaction conditions were determined in 30 min for the four reactions considered, and a better understanding of the factors that control microdroplet reactions was reached. Moreover, our model showed a better performance after training on reactions with similar or even dissimilar underlying mechanisms, which demonstrates its learning ability.

The Role of Sister Cities’ Staff Exchanges in Developing “Learning Cities”: Exploring Necessary and Sufficient Conditions in Social Capital Development Utilizing Proportional Odds Modeling

Directory of Open Access Journals (Sweden)

Patrick Henry Buckley

2015-06-01

Full Text Available In the last half century former international adversaries have become cooperators through networking and knowledge sharing for decision making aimed at improving quality of life and sustainability; nowhere has this been more striking then at the urban level where such activity is seen as a key component in building “learning cities” through the development of social capital. Although mega-cities have been leaders in such efforts, mid-sized cities with lesser resource endowments have striven to follow by focusing on more frugal sister city type exchanges. The underlying thesis of our research is that great value can be derived from city-to-city exchanges through social capital development. However, such a study must differentiate between necessary and sufficient conditions. Past studies assumed necessary conditions were met and immediately jumped to demonstrating the existence of structural relationships by measuring networking while further assuming that the existence of such demonstrated a parallel development of cognitive social capital. Our research addresses this lacuna by stepping back and critically examining these assumptions. To accomplish this goal we use a Proportional Odds Modeling with a Cumulative Logit Link approach to demonstrate the existence of a common latent structure, hence asserting that necessary conditions are met.

The Role of Sister Cities’ Staff Exchanges in Developing “Learning Cities”: Exploring Necessary and Sufficient Conditions in Social Capital Development Utilizing Proportional Odds Modeling

Science.gov (United States)

Buckley, Patrick Henry; Takahashi, Akio; Anderson, Amy

2015-01-01

In the last half century former international adversaries have become cooperators through networking and knowledge sharing for decision making aimed at improving quality of life and sustainability; nowhere has this been more striking then at the urban level where such activity is seen as a key component in building “learning cities” through the development of social capital. Although mega-cities have been leaders in such efforts, mid-sized cities with lesser resource endowments have striven to follow by focusing on more frugal sister city type exchanges. The underlying thesis of our research is that great value can be derived from city-to-city exchanges through social capital development. However, such a study must differentiate between necessary and sufficient conditions. Past studies assumed necessary conditions were met and immediately jumped to demonstrating the existence of structural relationships by measuring networking while further assuming that the existence of such demonstrated a parallel development of cognitive social capital. Our research addresses this lacuna by stepping back and critically examining these assumptions. To accomplish this goal we use a Proportional Odds Modeling with a Cumulative Logit Link approach to demonstrate the existence of a common latent structure, hence asserting that necessary conditions are met. PMID:26114245

A field ion microscope study of the surface reaction of tungsten with n-octanol under an applied positive voltage: reaction conditions for the 'splitting' of (110) plane

International Nuclear Information System (INIS)

Terao, T.; Iwatsu, F.; Morikawa, H.

1993-01-01

Field ion microscopy is a powerful tool for the study of surface phenomena on an atomic scale, especially when they are crystal plane dependent, because the microscope shows many crystal planes of the sample tip simultaneously. Although a large number of FIM studies on vapor deposition, surface diffusion and surface reactions at a metal-gas interface have been reported, those on reactions at a metal-liquid interface are few. The authors have studied the corrosion or tungsten with aqueous solutions and found that water corroded the tungsten tips very severely to reduce the radius of curvature of the tip cap drastically. The reaction was so severe that it was not possible to trace it back to the very initial stages. They adopted, as a weaker reagent, one of the higher alcohols, n-octanol(C 8 H 17 OH), and found that it reacted with tungsten tips when an electrical pulse with a positive voltage between 5 and 10V was applied to the tip, giving very interesting field ion images in which the central (110) plane was divided into two parts located side by side across the [001] zone line. This means that some anisotropic surface reaction occurred which made a groove along the [001] zone line going through the (110) plane, usually the most stable plane chemically for bcc metals. They named this phenomenon 'splitting'. This reaction was less severe than that with water and some results on the morphology of the groove and on the reaction sequence have been reported. In the present paper more detailed reaction conditions which give rise to the splitting are described

A study of different indicators of Maillard reaction with whey proteins and different carbohydrates under adverse storage conditions.

Science.gov (United States)

Leiva, Graciela E; Naranjo, Gabriela B; Malec, Laura S

2017-01-15

This study examined different indicators of each stage of Maillard reaction under adverse storage conditions in a system with whey proteins and lactose or glucose. The analysis of lysine loss by the o-phthaldialdehyde method can be considered a good indicator of the early stage, showing considerable differences in reactivity when systems with mono and disaccharides were analyzed. Capillary electrophoresis proved to be a sensitive method for evaluating the extent of glycosylation of the native proteins, providing valuable information when the loss of lysine was not significant. The estimation of the Amadori compound from the determination of total 5-hydroxymethyl-2-furfuraldehyde would have correlate well with reactive lysine content if the advanced stages of the reaction had not been reached. For assessing the occurrence of the intermediate and final stages, the measurement of free 5-hydroxymethyl-2-furfuraldehyde and color, proved not to be suitable for storage conditions. Copyright © 2016 Elsevier Ltd. All rights reserved.

Effect of Reaction Conditions on the Surface Modification of Cellulose Nanofibrils with Aminopropyl Triethoxysilane

Directory of Open Access Journals (Sweden)

Eduardo Robles

2018-04-01

Full Text Available Nine different surface modifications of cellulose nanofibrils (CNF with 3-aminopropyl triethoxysilane (ATS by using three different solvent systems (water, ethanol, and a mixture of both were investigated. The effect of reaction conditions, such as silane to cellulose ratio and solvent type were evaluated to determine their contribution to the extent of the silane modification. Nanofibril properties were evaluated by infrared spectroscopy, powder X-ray diffraction, surface free energy, thermogravimetry, 13C and 29Si nuclear magnetic resonance, and electronic microscopy. The influence of the solvent in the solvolysis of the silane was reflected in the presence or absence of ethoxy groups in the silane. On the other hand, whereas the surface modification was increased directly proportionally to silane ratio on the reaction, the aggregation of nanofibrils was also increased, which can play a negative role in certain applications. The increment of silane modification also had substantial repercussions on the crystallinity of the nanofibrils by the addition of amorphous components to the crystalline unit; moreover, silane surface modifications enhanced the hydrophobic character of the nanofibrils.

Reactions of aluminum with uranium fluorides and oxyfluorides

Energy Technology Data Exchange (ETDEWEB)

Leitnaker, J.M.; Nichols, R.W.; Lankford, B.S. [Martin Marietta Energy Systems, Inc., Oak Ridge, TN (United States)

1991-12-31

Every 30 to 40 million operating hours a destructive reaction is observed in one of the {approximately}4000 large compressors that move UF{sub 6} through the gaseous diffusion plants. Despite its infrequency, such a reaction can be costly in terms of equipment and time. Laboratory experiments reveal that the presence of moderate pressures of UF{sub 6} actually cools heated aluminum, although thermodynamic calculations indicate the potential for a 3000-4000{degrees}C temperature rise. Within a narrow and rather low (<100 torr; 1 torr = 133.322 Pa) pressure range, however, the aluminum is seen to react with sufficient heat release to soften an alumina boat. Three things must occur in order for aluminum to react vigorously with either UF{sub 6} or UO{sub 2}F{sub 2}. 1. An initiating source of heat must be provided. In the compressors, this source can be friction, permitted by disruption of the balance of the large rotating part or by creep of the aluminum during a high-temperature treatment. In the absence of this heat source, compressors have operated for 40 years in UF{sub 6} without significant reaction. 2. The film protecting the aluminum must be breached. Melting (of UF{sub 5} at 620 K or aluminum at 930 K) can cause such a breach in laboratory experiments. In contrast, holding Al samples in UF{sub 6} at 870 K for several hours produces only moderate reaction. Rubbing in the cascade can undoubtedly breach the protective film. 3. Reaction products must not build up and smother the reaction. While uranium products tend to dissolve or dissipate in molten aluminum, AIF{sub 3} shows a remarkable tendency to surround and hence protect even molten aluminum. Hence the initial temperature rise must be rapid and sufficient to move reactants into a temperature region in which products are removed from the reaction site.

The Glaser–Hay reaction

DEFF Research Database (Denmark)

Vilhelmsen, Mie Højer; Jensen, Jonas; Tortzen, Christian

2013-01-01

The oxidative Glaser–Hay coupling of two terminal alkynes to furnish a butadiyne is a key reaction for acetylenic scaffolding. Although the reaction is performed under rather simple conditions [CuCl/TMEDA/O2 (air)], the mechanism is still under debate. Herein we present detailed studies...... on the scope of this reaction by using both 13C NMR and UV/Vis spectroscopic methods. The former method was used to study the kinetics of the coupling of aryl-substituted alkynes as the aryl carbon resonances of the reactants and products have similar NOEs and relaxation times. The reaction was found...... to be zero-order with respect to the terminal alkyne reactant under standard preparative conditions. Moreover, as the reaction proceeded, a clear change to slower reaction kinetics was observed, but it was still apparently zero-order. The onset of this change was found to depend on the catalyst loading...

Cross sections and reaction rates of d+{sup 8}Li reactions involved in Big Bang nucleosynthesis

Energy Technology Data Exchange (ETDEWEB)

Balbes, M.J. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Farrell, M.M. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Boyd, R.N. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics]|[Department of Astronomy, Ohio State University, Columbus, OH 43210 (United States); Gu, X. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Hencheck, M. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Kalen, J.D. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Mitchell, C.A. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Kolata, J.J. [Department of Physics, University of Notre Dame, Notre Dame, IN 46556 (United States); Lamkin, K. [Department of Physics, University of Notre Dame, Notre Dame, IN 46556 (United States); Smith, R. [Division of Nuclear Medicine, Department of Radiology, Hospital of the University of Pennsylvania, Philadelphia, PA 19104 (United States); Tighe, R. [Lawrence Berkeley Laboratory, Berkeley, CA 94720 (United States); Ashktorab, K. [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Becchetti, F.D. [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Brown, J. [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Roberts, D. [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Wang, T.F. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Humphrey, D. [Department of Physics, University of Western Kentucky, Bowling Green, KY 42101 (United States); Vourvopoulos, G. [Department of Physics, University of Western Kentucky, Bowling Green, KY 42101 (United States); Islam, M.S. [Department of Physics, Ball State University, Muncie, IN 47306 (United States)

1995-02-20

We have measured angular distributions of the {sup 2}H({sup 8}Li, {sup 7}Li){sup 3}H and {sup 2}H({sup 8}Li, {sup 9}Be)n reactions at E{sub c.m.}=1.5 to 2.8 MeV using an {sup 8}Li-radioactive-beam technique. Astrophysical S-factors and reaction rates were calculated from the measured cross sections. Although the {sup 2}H({sup 8}Li, {sup 9}Be)n cross section is small, it can contribute to {sup 9}Be synthesis. The {sup 2}H({sup 8}Li, {sup 7}Li){sup 3}H reaction has a sufficiently large cross section to destroy {sup 8}Li, which may decrease the synthesis of heavier elements. No products from the {sup 2}H({sup 8}Li, {sup 9}Li)p reaction were detected. We also present the results of calculations using the inhomogeneous model of primordial nucleosynthesis in several regions of parameter space. ((orig.))

Sufficient convergency conditions for an implicit class of incomplete factorization circuits

International Nuclear Information System (INIS)

Artem'ev, V.K.

1984-01-01

The convergence for an implicit class of incomplete factorization circuits with peripheral compensation is theoretically investigated. The convergence theorem is indicated. Sufficiert conditions for the circuit parameters providing the convergence are obtained. The parameters selection may be program-realized, one parameter remaining free. For account of selection of this parameter the method convergence rate may be optimized. Numerical experiments and comparisons with other methods with model problems have shown the efficiency of incomplete factorization circuits. The method is applied for calculating reactors for the solution of hydrodynamic and thermal problems

Gravitational radiation reaction

International Nuclear Information System (INIS)

Tanaka, Takahiro

2006-01-01

We give a short personally-biased review on the recent progress in our understanding of gravitational radiation reaction acting on a point particle orbiting a black hole. The main motivation of this study is to obtain sufficiently precise gravitational waveforms from inspiraling binary compact starts with a large mass ratio. For this purpose, various new concepts and techniques have been developed to compute the orbital evolution taking into account the gravitational self-force. Combining these ideas with a few supplementary new ideas, we try to outline a path to our goal here. (author)

Fischer-Tropsch diesel production over calcium-promoted Co/alumina catalyst: Effect of reaction conditions

Energy Technology Data Exchange (ETDEWEB)

A.R. de la Osa; A. De Lucas; A. Romero; J.L. Valverde; P. Sanchez [University of Castilla-La Mancha, Ciudad Real (Spain). Chemical Engineering Department

2011-05-15

The effects of reaction conditions on the Fischer-Tropsch activity and product distribution of an alkali-earth metal promoted cobalt based catalyst were studied. The influence of the promoter on the reducibility and cobalt particle size was studied by different techniques, including N{sub 2} adsorption, X-ray diffraction, temperature-programmed reduction, temperature-programmed desorption and acid-base titrations. Experiments were carried out on a bench-scale fixed bed reactor and catalysts were prepared by incipient wetness impregnation. It was observed that addition of a small amount of calcium oxide as a promoter (0.6 wt.%) improved the cobalt oxide reducibility and reduced the formation of cobalt-aluminate species. A positive correlation between basicity and particle size was observed. In terms of FTS results, CO conversion and C{sub 5}{sup +} selectivity were found to be enhanced by the addition of this promoter. It was important to note that the addition of calcium shifted the distribution to mainly C{sub 16}-C{sub 18} hydrocarbons fraction, which could be greatly considered for a diesel formulation. Furthermore, the variation of the reaction conditions seemed to influence product distribution in a lesser extent than unpromoted catalyst. Also, a displacement of hydrocarbon distribution to higher molecular weight with decreasing space velocity and temperature was observed. Moreover, the addition of calcium to the cobalt based catalyst was found to greatly maintain selectivity to C{sub 5}{sup +} for a wide range of H{sub 2}/CO molar ratios. 60 refs., 10 figs., 5 tabs.

Thermoneutral isotope exchange reactions of cations in the gas phase

International Nuclear Information System (INIS)

Ausloos, P.; Lias, S.G.

1981-01-01

Rate constants have been measured for reactions of the type AD 2 + + MH → MD + ADH + , where AD 2 + is CD 3 CND + , CD 3 CDOD + , (CD 3 COCD 3 )D + , or (C 2 D 5 ) 2 OD + and the MH molecules are alcohols, acids, mercaptans, H 2 S, AsH 3 , PH 3 , or aromatic molecules. Rate constants are also presented for the reactions Ar/sub H/D + + D 2 O → Ar/sub d/D + + HDO, where Ar/sub H/D + is a deuteronated aromatic molecule and Ar/sub D/D + is the same species with a D atom incorporated on the ring. In all but two cases, the competing deuteron transfer is sufficiently endothermic that it cannot be observed under the conditions of the ICR experiments at 320 to 420 K. The efficiencies of the isotope exchange reactions are interpreted in terms of estimated potential surface cross sections for the reactions AD 2 + + MH → [AD 2 + MH] → [ADMHD + ] → [ADH + MD] → ADH + + MD. When the formation of the [ADMHD + ] complex is estimated to be thermoneutral or slightly endothermic, the isotope exchange process is inefficient (probability of a reactive collision 2 + MH] → [ADMHD + ] is exothermic. For most of the systems, trends in reaction efficiency appear to be related to factors such as dipole moments of reactant species (or for aromatic compounds, the electron-donating or -withdrawing properties of ring substituents) which influence the relative orientation of the two reactant species in the complex

Materials and Mechanisms of Photo-Assisted Chemical Reactions under Light and Dark Conditions: Can Day-Night Photocatalysis Be Achieved?

Science.gov (United States)

Sakar, M; Nguyen, Chinh-Chien; Vu, Manh-Hiep; Do, Trong-On

2018-03-09

The photoassisted catalytic reaction, conventionally known as photocatalysis, is expanding into the field of energy and environmental applications. It is widely known that the discovery of TiO 2 -assisted photochemical reactions has led to several unique applications, such as degradation of pollutants in water and air, hydrogen production through water splitting, fuel conversion, cancer treatment, antibacterial activity, self-cleaning glasses, and concrete. These multifaceted applications of this phenomenon can be enriched and expanded further if this process is equipped with more tools and functions. The term "photoassisted" catalytic reactions clearly emphasizes that photons are required to activate the catalyst; this can be transcended even into the dark if electrons are stored in the material for the later use to continue the catalytic reactions in the absence of light. This can be achieved by equipping the photocatalyst with an electron-storage material to overcome current limitations in photoassisted catalytic reactions. In this context, this article sheds lights on the materials and mechanisms of photocatalytic reactions under light and dark conditions. The manifestation of such systems could be an unparalleled technology in the near future that could influence all spheres of the catalytic sciences. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Sufficient condition for a quantum state to be genuinely quantum non-Gaussian

Science.gov (United States)

Happ, L.; Efremov, M. A.; Nha, H.; Schleich, W. P.

2018-02-01

We show that the expectation value of the operator \\hat{{ \\mathcal O }}\\equiv \\exp (-c{\\hat{x}}2)+\\exp (-c{\\hat{p}}2) defined by the position and momentum operators \\hat{x} and \\hat{p} with a positive parameter c can serve as a tool to identify quantum non-Gaussian states, that is states that cannot be represented as a mixture of Gaussian states. Our condition can be readily tested employing a highly efficient homodyne detection which unlike quantum-state tomography requires the measurements of only two orthogonal quadratures. We demonstrate that our method is even able to detect quantum non-Gaussian states with positive–definite Wigner functions. This situation cannot be addressed in terms of the negativity of the phase-space distribution. Moreover, we demonstrate that our condition can characterize quantum non-Gaussianity for the class of superposition states consisting of a vacuum and integer multiples of four photons under more than 50 % signal attenuation.

Markov chain aggregation and its applications to combinatorial reaction networks.

Science.gov (United States)

Ganguly, Arnab; Petrov, Tatjana; Koeppl, Heinz

2014-09-01

We consider a continuous-time Markov chain (CTMC) whose state space is partitioned into aggregates, and each aggregate is assigned a probability measure. A sufficient condition for defining a CTMC over the aggregates is presented as a variant of weak lumpability, which also characterizes that the measure over the original process can be recovered from that of the aggregated one. We show how the applicability of de-aggregation depends on the initial distribution. The application section is devoted to illustrate how the developed theory aids in reducing CTMC models of biochemical systems particularly in connection to protein-protein interactions. We assume that the model is written by a biologist in form of site-graph-rewrite rules. Site-graph-rewrite rules compactly express that, often, only a local context of a protein (instead of a full molecular species) needs to be in a certain configuration in order to trigger a reaction event. This observation leads to suitable aggregate Markov chains with smaller state spaces, thereby providing sufficient reduction in computational complexity. This is further exemplified in two case studies: simple unbounded polymerization and early EGFR/insulin crosstalk.

The redox-Mannich reaction.

Science.gov (United States)

Chen, Weijie; Seidel, Daniel

2014-06-06

A complement to the classic three-component Mannich reaction, the redox-Mannich reaction, utilizes the same starting materials but incorporates an isomerization step that enables the facile preparation of ring-substituted β-amino ketones. Reactions occur under relatively mild conditions and are facilitated by benzoic acid.

Large local reactions to insect envenomation.

Science.gov (United States)

Carlson, John; Golden, David B K

2016-08-01

Insect stings often induce large local reactions (LLRs) that result in morbidity. These reactions do have an immunologic basis; however, patients presenting with LLRs should be managed differently than those with systemic allergic reactions, as described in this review. Morbidity results from the inflammation itself along with the iatrogenic consequences of treatment. The prescription of antihistamine medications and the use of antibiotics are generally not indicated for patients with LLRs because of the risks/side-effects of these medications and the low probability of benefit. Some patients are also concerned over the possibility that a future sting will evolve into a life-threatening reaction. Although these reactions do involve IgE, patients are not at sufficient risk to warrant prescription of autoinjectable epinephrine. Venom-specific immunotherapy can be considered when LLRs are frequent and associated with significant impairment. Clinicians can reduce morbidity from LLRs by reassuring the patients, avoiding medications that result in side-effects when they are not indicated, and referring to an allergist when there are additional concerns, such as frequent impairment.

Mn"4"+-activated BaSiF_6 red phosphor: Hydrothermal synthesis and dependence of its luminescent properties on reaction conditions

International Nuclear Information System (INIS)

Zhou, Qiang; Zhou, Yayun; Lu, Fengqi; Liu, Yong; Wang, Qin; Luo, Lijun; Wang, Zhengliang

2016-01-01

In this work, a series of BaSiF_6:Mn"4"+ red phosphors were synthesized through a hydrothermal route. The crystal structure and morphology were characterized by powder X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), and energy dispersive spectrometer (EDS) in detail. The influence of reaction conditions, including the concentration of KMnO_4 and HF, reaction temperature and time, on the photoluminescence properties were investigated systematically. It can emit intense red light (∼636 nm) under blue light (∼458 nm) illumination. The white LED device based on YAG:Ce–BaSiF_6:Mn"4"+ mixture shows warm white light with low color temperature and high correlated color index, which reveals its potential application in WLED. - Highlights: • The crystal structure of BaSiF_6:Mn"4"+ has been verified using Rietveld refinement. • The optimum hydrothermal reaction condition for BaSiF_6:Mn"4"+ has been confirmed. • The white LED based on YAG:Ce–BaSiF_6:Mn"4"+ mixture presents warmer white light than that only with YAG:Ce.

Comparing Young and Elderly Serial Reaction Time Task Performance on Repeated and Random Conditions

Directory of Open Access Journals (Sweden)

Fatemeh Ehsani

2012-07-01

Full Text Available Objectives: Acquisition motor skill training in elderly is at great importance. The main purpose of this study was to compare young and elderly performance in serial reaction time task on different repeated and random conditions. Methods & Materials: A serial reaction time task by using software was applied for studying motor learning in 30 young and 30 elderly. Each group divided randomly implicitly and explicitly into subgroups. A task 4 squares with different colors appeared on the monitor and subjects were asked to press its defined key immediately after observing it. Subjects practiced 8 motor blocks (4 repeated blocks, then 2 random blocks and 2 repeated blocks. Block time that was dependent variable measured and Independent-samples t- test with repeated ANOVA measures were used in this test. Results: young groups performed both repeated and random sequences significantly faster than elderly (P0.05. Explicit older subgroup performed 7,8 blocks slower than 6 block with a significant difference (P<0.05. Conclusion: Young adults discriminate high level performance than elderly in both repeated and random practice. Elderly performed random practice better than repeated practice.

Alcohol-to-acid ratio and substrate concentration affect product structure in chain elongation reactions initiated by unacclimatized inoculum.

Science.gov (United States)

Liu, Yuhao; Lü, Fan; Shao, Liming; He, Pinjing

2016-10-01

The objective of the study was to investigate whether the ratio of ethanol to acetate affects yield and product structure in chain elongation initiated by unacclimatized mixed cultures. The effect of varying the substrate concentration, while maintaining the same ratio of alcohol to acid, was also investigated. With a high substrate concentration, an alcohol to acid ratio >2:1 provided sufficient electron donor capacity for the chain elongation reaction. With an ethanol to acetate ratio of 3:1 (300mM total carbon), the highest n-caproate concentration (3033±98mg/L) was achieved during the stable phase of the reaction. A lower substrate concentration (150mM total carbon) gave a lower yield of products and led to reduced carbon transformation efficiency compared with other reaction conditions. The use of unacclimatized inoculum in chain elongation can produce significant amounts of odd-carbon-number carboxylates as a result of protein hydrolysis. Copyright © 2016 Elsevier Ltd. All rights reserved.

MEANS FOR PRODUCING PLUTONIUM CHAIN REACTIONS

Science.gov (United States)

Wigner, E.P.; Weinberg, A.M.

1961-01-24

A neutronic reactor is described with an active portion capable of operating at an energy level of 0.5 to 1000 ev comprising discrete bodies of Pu/ sup 239/ disposed in a body of water which contains not more than 5 molecules of water to one atom of plutonium, the total amount of Pu/sup 239/ being sufficient to sustain a chain reaction. (auth)

Hydrogen poisoning of the CO oxidation reaction on Pt and Pd under ultrahigh vacuum conditions

International Nuclear Information System (INIS)

Strozier, J.A.

1977-01-01

The poisoning by hydrogen of the catalyzed oxidation of CO on Pt and Pd under ultrahigh vacuum conditions was investigated. ac pulsing techniques are used in which the pressure of the reactant CO in the reaction chamber is modulated periodically by means of a fast piezoelectric ultrahigh vacuum valve, and the ac component of the product CO 2 is recorded mass spectroscopically by phase-sensitive techniques. The ac CO 2 production rate is measured as a function of hydrogen pressure (1 - 10 x 10 -9 toor) at constant CO and O 2 pressures (approximately equal to 5 x 10 -8 torr), and constant temperature (approximately equal to 700 K). Exact theoretical calculations of CO 2 production rates were carried out employing several models, i.e., oxygen burn-off by hydrogen, incorporating both the Eley-Rideal and Langmuir-Hinshelwood mechanisms. From a comparison with the experimental results, the probable reaction is of the Langmuir-Hinshelwood type and the relevant rate constant is also determined. These results are compared with other results in the literature on hydrogen oxidation on the surface of Pt

Abiotic condensation synthesis of glyceride lipids and wax esters under simulated hydrothermal conditions.

Science.gov (United States)

Rushdi, Ahmed I; Simoneit, Bernd R T

2006-04-01

Precursor compounds for abiotic proto cellular membranes are necessary for the origin of life. Amphipathic compounds such as fatty acids and acyl glycerols are important candidates for micelle/bilayer/vesicle formation. Two sets of experiments were conducted to study dehydration reactions of model lipid precursors in aqueous media to form acyl polyols and wax esters, and to evaluate the stability and reactions of the products at elevated temperatures. In the first set, mixtures of n-nonadecanoic acid and ethylene glycol in water, with and without oxalic acid, were heated at discrete temperatures from 150 ( composite function)C to 300 ( composite function)C for 72 h. The products were typically alkyl alkanoates, ethylene glycolyl alkanoates, ethylene glycolyl bis-alkanoates and alkanols. The condensation products had maximum yields between 150 ( composite function)C and 250 ( composite function)C, and were detectable and thus stable under hydrothermal conditions to temperatures acid and glycerol were heated using the same experimental conditions, with and without oxalic acid, between 100 ( composite function)C and 250 ( composite function)C. The main condensation products were two isomers each of monoacylglycerols and diacylglycerols at all temperatures, as well as minor amounts of the fatty acid anhydride and methyl ester. The yield of glyceryl monoheptanoates generally increased with increasing temperature and glyceryl diheptanoates decreased noticeably with increasing temperature. The results indicate that condensation reactions and abiotic synthesis of organic lipid compounds under hydrothermal conditions occur easily, provided precursor concentrations are sufficiently high.

Existence of global solutions to reaction-diffusion systems via a Lyapunov functional

Directory of Open Access Journals (Sweden)

Said Kouachi

2001-10-01

Full Text Available The purpose of this paper is to construct polynomial functionals (according to solutions of the coupled reaction-diffusion equations which give $L^{p}$-bounds for solutions. When the reaction terms are sufficiently regular, using the well known regularizing effect, we deduce the existence of global solutions. These functionals are obtained independently of work done by Malham and Xin [11].

Reaction of aromatic diazonium salts with carrier-free radioiodine and astatine, evidence for complex formation

International Nuclear Information System (INIS)

Meyer, G.J.; Roessler, K.; Stoecklin, G.

1979-01-01

Systematic studies of the astatodiazoniation reaction and a comparison with iododediazoniation under comparable conditions are reported. The yields for all astatohalobenzenes and -toluenes were nearly constant and unaffected by the nature of the diazonium compound, its isomeric form, and the number of isomers used at the same time. Only astatofluorobenzenes were obtained at higher yields. An electron-transfer mechanism is proposed for dediazoniation at these low halide concentration levels. At sufficient thermal excitation levels the electron transfer leads to the dissociation of nitrogen, while the phenyl and halogen radicals recombine. The isomer distribution found for some of the derivatives from dediazoniation may also be due to steric effects

Information geometry and sufficient statistics

Czech Academy of Sciences Publication Activity Database

Ay, N.; Jost, J.; Le, Hong-Van; Schwachhöfer, L.

2015-01-01

Roč. 162, 1-2 (2015), s. 327-364 ISSN 0178-8051 Institutional support: RVO:67985840 Keywords : Fisher quadratic form * Amari-Chentsov tensor * sufficient statistic Subject RIV: BA - General Mathematics Impact factor: 2.204, year: 2015 http://link.springer.com/article/10.1007/s00440-014-0574-8

Enough is as good as a feast - sufficiency as policy

Energy Technology Data Exchange (ETDEWEB)

Darby, Sarah [Lower Carbon Futures, Environmental Change Inst., Oxford Univ. Centre for the Environment (United Kingdom)

2007-07-01

The concept of sufficiency has a long history, related as it is to the timeless issues of how best to distribute and use resources. Where energy is concerned, absolute reductions in demand are increasingly seen as necessary in response to climate change and energy security concerns. There is an acknowledgement that, collectively if not individually, humans have gone beyond safe limits in their use of fuels. The relatively wealthy and industrialised nations urgently need to move beyond a primary focus on efficiency to the more contentious issues surrounding demand reduction and sufficiency. The paper considers definitions of energy sufficiency, looks at a recent attempt to model future energy use in terms of efficiency and sufficiency, and discusses quantitative and qualitative aspects of sufficiency and how they might become institutionalised. There are many arguments in favour of sufficiency but they often founder in the face of political requirements for market growth and the employment generated by it. Some options for 'sufficiency policy' are selected, including a focus on energy in relation to livelihoods, energy implications of our use of time and making energy use more transparent.

Incidents of chemical reactions in cell equipment

Energy Technology Data Exchange (ETDEWEB)

Baldwin, N.M.; Barlow, C.R. [Uranium Enrichment Organization, Oak Ridge, TN (United States)

1991-12-31

Strongly exothermic reactions can occur between equipment structural components and process gases under certain accident conditions in the diffusion enrichment cascades. This paper describes the conditions required for initiation of these reactions, and describes the range of such reactions experienced over nearly 50 years of equipment operation in the US uranium enrichment program. Factors are cited which can promote or limit the destructive extent of these reactions, and process operations are described which are designed to control the reactions to minimize equipment damage, downtime, and the possibility of material releases.

Nature exposure sufficiency and insufficiency: The benefits of environmental preservation.

Science.gov (United States)

Reddon, John R; Durante, Salvatore B

2018-01-01

Increasing industrialization, urbanization, and a failure of many world leaders to appreciate the consequences of climate change are deleteriously impacting quality of life as well as diminishing the prospects for long term survival. Economic competitiveness and corporate profitability often pre-empt environmental concerns. The calving of an iceberg in Antarctica and the hurricane activity in the Caribbean during 2017 are unfortunate illustrations of the continuing escalation of environmental issues. We provide historical and current evidence for the importance of Nature Exposure (NE) and introduce the continuum Nature Exposure Sufficiency (NES) and Insufficiency (NEI). Insufficiency includes impoverished environments (e.g., slums and prisons) where nature exposure is very limited. Nature Exposure Sufficiency (NES) is an optimal amount of exposure to nature where many benefits such as reinvigoration can be obtained by everyone. NES also has several benefits for individuals with various health conditions such as arthritis, dementia, or depression. The benefits of NE are not just derivable from parks, forests, and other natural settings. Interiors of buildings and homes can be enhanced with plants and even pictures or objects from nature. Additionally, there is abundant evidence indicating that virtual and artificial environments depicting nature can provide substantial NE and therefore contribute to general wellbeing. Besides the difficulty in achieving cooperation amongst nations, corporations, and other collectives in developing and implementing long range plans to deal with climate change, there is also sometimes an aversion at the individual level whereby people are unwilling to experience nature due to insects and other discomforts. Such individuals are often averse to supplanting the comforts of home, even temporarily, with inadequate facilities that are seemingly less pleasant than their typical dwellings. We propose using the term Nature Exposure Aversion

Capturing Chemistry in Action with Electrons: Realization of Atomically Resolved Reaction Dynamics.

Science.gov (United States)

Ischenko, Anatoly A; Weber, Peter M; Miller, R J Dwayne

2017-08-23

One of the grand challenges in chemistry has been to directly observe atomic motions during chemical processes. The depiction of the nuclear configurations in space-time to understand barrier crossing events has served as a unifying intellectual theme connecting the different disciplines of chemistry. This challenge has been cast as an imaging problem in which the technical issues reduce to achieving not only sufficient simultaneous space-time resolution but also brightness for sufficient image contrast to capture the atomic motions. This objective has been met with electrons as the imaging source. The review chronicles the first use of electron structural probes to study reactive intermediates, to the development of high bunch charge electron pulses with sufficient combined spatial-temporal resolution and intensity to literally light up atomic motions, as well as the means to characterize the electron pulses in terms of temporal brightness and image reconstruction. The use of femtosecond Rydberg spectroscopy as a novel means to use internal electron scattering within the molecular reference frame to obtain similar information on reaction dynamics is also discussed. The focus is on atomically resolved chemical reaction dynamics with pertinent references to work in other areas and forms of spectroscopy that provide additional information. Effectively, we can now directly observe the far-from-equilibrium atomic motions involved in barrier crossing and categorize chemistry in terms of a power spectrum of a few dominant reaction modes. It is this reduction in dimensionality that makes chemical reaction mechanisms transferrable to seemingly arbitrarily complex (large N) systems, up to molecules as large as biological macromolecules (N > 1000 atoms). We now have a new way to reformulate reaction mechanisms using an experimentally determined dynamic mode basis that in combination with recent theoretical advances has the potential to lead to a new conceptual basis for

A Simple Negative Interaction in the Positive Transcriptional Feedback of a Single Gene Is Sufficient to Produce Reliable Oscillations

Science.gov (United States)

Miró-Bueno, Jesús M.; Rodríguez-Patón, Alfonso

2011-01-01

Negative and positive transcriptional feedback loops are present in natural and synthetic genetic oscillators. A single gene with negative transcriptional feedback needs a time delay and sufficiently strong nonlinearity in the transmission of the feedback signal in order to produce biochemical rhythms. A single gene with only positive transcriptional feedback does not produce oscillations. Here, we demonstrate that this single-gene network in conjunction with a simple negative interaction can also easily produce rhythms. We examine a model comprised of two well-differentiated parts. The first is a positive feedback created by a protein that binds to the promoter of its own gene and activates the transcription. The second is a negative interaction in which a repressor molecule prevents this protein from binding to its promoter. A stochastic study shows that the system is robust to noise. A deterministic study identifies that the dynamics of the oscillator are mainly driven by two types of biomolecules: the protein, and the complex formed by the repressor and this protein. The main conclusion of this paper is that a simple and usual negative interaction, such as degradation, sequestration or inhibition, acting on the positive transcriptional feedback of a single gene is a sufficient condition to produce reliable oscillations. One gene is enough and the positive transcriptional feedback signal does not need to activate a second repressor gene. This means that at the genetic level an explicit negative feedback loop is not necessary. The model needs neither cooperative binding reactions nor the formation of protein multimers. Therefore, our findings could help to clarify the design principles of cellular clocks and constitute a new efficient tool for engineering synthetic genetic oscillators. PMID:22205920

Extension of a Kinetic-Theory Approach for Computing Chemical-Reaction Rates to Reactions with Charged Particles

Science.gov (United States)

Liechty, Derek S.; Lewis, Mark J.

2010-01-01

Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties (i.e., no macroscopic reaction rate information) are extended to include reactions involving charged particles and electronic energy levels. The proposed extensions include ionization reactions, exothermic associative ionization reactions, endothermic and exothermic charge exchange reactions, and other exchange reactions involving ionized species. The extensions are shown to agree favorably with the measured Arrhenius rates for near-equilibrium conditions.

Basic visualization experiments on eutectic reaction of boron carbide and stainless steel under sodium-cooled fast reactor conditions

International Nuclear Information System (INIS)

Yamano, Hidemasa; Suzuki, Tohru; Kamiyama, Kenji; Kudo, Isamu

2016-01-01

This paper describes basic visualization experiments on eutectic reaction and relocation of boron carbide (B 4 C) and stainless steel (SS) under a high temperature condition exceeding 1500degC as well as the importance of such behaviors in molten core during a core disruptive accident in a Generation-IV sodium-cooled fast reactor (750 MWe class) designed in Japan. At first, a reactivity history was calculated using an exact perturbation calculation tool taking into account expected behaviors. This calculation indicated the importance of a relocation behavior of the B 4 C-SS eutectic because its behavior has a large uncertainty in the reactivity history. To clarify this behavior, basic experiments were carried out by visualizing the reaction of a B 4 C pellet contacted with molten SS in a high temperature-heating furnace. The experiments have shown the eutectic reaction visualization as well as freezing and relocation of the B 4 C-SS eutectic in upper part of the solidified test piece due to the density separation. (author)

Studies in the reaction dynamics of beam-gas chemiluminescent reactions

International Nuclear Information System (INIS)

Prisant, M.G.

1984-01-01

This thesis develops techniques for the analysis and interpretation of data obtained from beam-gas chemiluminescence experiments. These techniques are applied to experimental studies of atom transfer reactions of the type A + BC → AB + C. A procedure is developed for determining the product rotational alignment in the center-of-mass frame from polarization measurements of chemiluminescent atom-diatom exchange reactions under beam-gas conditions. Knowledge of a vector property of a reaction, such as product alignment, provides information on the disposition of angular momentum by a chemical reaction. Fluorescence polarization and hence product alignment are measured for two prototype reactions. The reaction of metastable calcium atoms with hydrogen-chloride gas yields highly aligned calcium-chloride product which exhibits little variation of alignment with vibrational state. The reaction of ground-state calcium with fluorine gas yields moderately aligned product which shows strong variation of alignment with vibration. A multi-surface direct-interaction model is developed to interpret product alignment and population data. The predictions of this model for the reaction of calcium with fluorine show reasonable agreement with experiment

Are single odorous components of a predator sufficient to elicit defensive behaviors in prey species?

Directory of Open Access Journals (Sweden)

Raimund eApfelbach

2015-07-01

Full Text Available When exposed to the odor of a sympatric predator, prey animals typically display escape or defensive responses. These phenomena have been well-documented, especially in rodents, when exposed to the odor of a cat, ferret or fox. As a result of these experiments new discussions center on the following questions: 1 is a single volatile compound such as a major or a minor mixture constituent in urine or feces, emitted by the predator sufficient to cause defensive reactions in a potential prey species or 2 is a whole array of odors required to elicit a response and 3 will the relative size or escapability of the prey as compared to the predator influence responsiveness. Most predator-prey studies on this topic have been performed in the laboratory or under semi-natural conditions. Field studies could help to find answers to these questions. Australian mammals are completely naïve towards the introduced placental carnivores. That offers ideal opportunities to analyze in the field the responses of potential prey species to unknown predator odors. During the last decades researchers have accumulated an enormous amount of data exploring the effects of eutherian predator odors on native marsupial mammals. In this review, we will give a survey about the development of olfactory research, chemical signals and their influence on the behavior and - in some cases - physiology of prey species. In addition, we report on the effects of predator odor experiments performed under natural conditions in Australia. When studying all these literature we learned that data gained under controlled laboratory conditions elucidate the role of individual odors on brain structures and ultimately on a comparatively narrow range behaviors. In contrast to single odors odor arrays mimic much more the situation prey animals are confronted to in nature. Therefore, a broad range of methodology — from chemistry to ecology including anatomy, physiology and behavior — is needed to

Are single odorous components of a predator sufficient to elicit defensive behaviors in prey species?

Science.gov (United States)

Apfelbach, Raimund; Parsons, Michael H; Soini, Helena A; Novotny, Milos V

2015-01-01

When exposed to the odor of a sympatric predator, prey animals typically display escape or defensive responses. These phenomena have been well-documented, especially in rodents, when exposed to the odor of a cat, ferret, or fox. As a result of these experiments new discussions center on the following questions: (1) is a single volatile compound such as a major or a minor mixture constituent in urine or feces, emitted by the predator sufficient to cause defensive reactions in a potential prey species or (2) is a whole array of odors required to elicit a response and (3) will the relative size or escapability of the prey as compared to the predator influence responsiveness. Most predator-prey studies on this topic have been performed in the laboratory or under semi-natural conditions. Field studies could help to find answers to these questions. Australian mammals are completely naïve toward the introduced placental carnivores. That offers ideal opportunities to analyze in the field the responses of potential prey species to unknown predator odors. During the last decades researchers have accumulated an enormous amount of data exploring the effects of eutherian predator odors on native marsupial mammals. In this review, we will give a survey about the development of olfactory research, chemical signals and their influence on the behavior and-in some cases-physiology of prey species. In addition, we report on the effects of predator odor experiments performed under natural conditions in Australia. When studying all these literature we learned that data gained under controlled laboratory conditions elucidate the role of individual odors on brain structures and ultimately on a comparatively narrow range behaviors. In contrast to single odors odor arrays mimic much more the situation prey animals are confronted to in nature. Therefore, a broad range of methodology-from chemistry to ecology including anatomy, physiology, and behavior-is needed to understand all the

Influence of the reaction conditions on the enzyme catalyzed transesterification of castor oil: A possible step in biodiesel production.

Science.gov (United States)

Andrade, Thalles A; Errico, Massimiliano; Christensen, Knud V

2017-11-01

The identification of the influence of the reaction parameters is of paramount importance when defining a process design. In this work, non-edible castor oil was reacted with methanol to produce a possible component for biodiesel blends, using liquid enzymes as the catalyst. Temperature, alcohol-to-oil molar ratio, enzyme and added water contents were the reaction parameters evaluated in the transesterification reactions. The optimal conditions, giving the optimal final FAME yield and FFA content in the methyl ester-phase was identified. At 35°C, 6.0 methanol-to-oil molar ratio, 5wt% of enzyme and 5wt% of water contents, 94% of FAME yield and 6.1% of FFA in the final composition were obtained. The investigation was completed with the analysis of the component profiles, showing that at least 8h are necessary to reach a satisfactory FAME yield together with a minor FFA content. Copyright © 2017 Elsevier Ltd. All rights reserved.

Exploring Societal Preferences for Energy Sufficiency Measures in Switzerland

International Nuclear Information System (INIS)

Moser, Corinne; Rösch, Andreas; Stauffacher, Michael

2015-01-01

Many countries are facing a challenging transition toward more sustainable energy systems, which produce more renewables and consume less energy. The latter goal can only be achieved through a combination of efficiency measures and changes in people’s lifestyles and routine behaviors (i.e., sufficiency). While research has shown that acceptance of technical efficiency is relatively high, there is a lack of research on societal preferences for sufficiency measures. However, this is an important prerequisite for designing successful interventions to change behavior. This paper analyses societal preferences for different energy-related behaviors in Switzerland. We use an online choice-based conjoint analysis (N = 150) to examine preferences for behaviors with high technical potentials for energy demand reduction in the following domains: mobility, heating, and food. Each domain comprises different attributes across three levels of sufficiency. Respondents were confronted with trade-off situations evoked through different fictional lifestyles that comprised different combinations of attribute levels. Through a series of trade-off decisions, participants were asked to choose their preferred lifestyle. The results revealed that a vegetarian diet was considered the most critical issue that respondents were unwilling to trade off, followed by distance to workplace and means of transportation. The highest willingness to trade off was found for adjustments in room temperature, holiday travel behaviors, and living space. Participants’ preferences for the most energy-sufficient lifestyles were rather low. However, the study showed that there were lifestyles with substantive energy-saving potentials that were well accepted among respondents. Our study results suggest that the success of energy-sufficiency interventions might depend strongly on the targeted behavior. We speculate that they may face strong resistance (e.g., vegetarian diet). Thus, it seems promising to

Exploring Societal Preferences for Energy Sufficiency Measures in Switzerland

Energy Technology Data Exchange (ETDEWEB)

Moser, Corinne, E-mail: corinne.moser@zhaw.ch [Institute of Sustainable Development, School of Engineering, Zurich University of Applied Sciences, Winterthur (Switzerland); Natural and Social Science Interface, Institute for Environmental Decisions, Department of Environmental Systems Science, ETH Zürich, Zürich (Switzerland); Rösch, Andreas [Natural and Social Science Interface, Institute for Environmental Decisions, Department of Environmental Systems Science, ETH Zürich, Zürich (Switzerland); Stauffacher, Michael [Natural and Social Science Interface, Institute for Environmental Decisions, Department of Environmental Systems Science, ETH Zürich, Zürich (Switzerland); Transdisciplinarity Laboratory, Department of Environmental Systems Science, ETH Zürich, Zürich (Switzerland)

2015-09-16

Many countries are facing a challenging transition toward more sustainable energy systems, which produce more renewables and consume less energy. The latter goal can only be achieved through a combination of efficiency measures and changes in people’s lifestyles and routine behaviors (i.e., sufficiency). While research has shown that acceptance of technical efficiency is relatively high, there is a lack of research on societal preferences for sufficiency measures. However, this is an important prerequisite for designing successful interventions to change behavior. This paper analyses societal preferences for different energy-related behaviors in Switzerland. We use an online choice-based conjoint analysis (N = 150) to examine preferences for behaviors with high technical potentials for energy demand reduction in the following domains: mobility, heating, and food. Each domain comprises different attributes across three levels of sufficiency. Respondents were confronted with trade-off situations evoked through different fictional lifestyles that comprised different combinations of attribute levels. Through a series of trade-off decisions, participants were asked to choose their preferred lifestyle. The results revealed that a vegetarian diet was considered the most critical issue that respondents were unwilling to trade off, followed by distance to workplace and means of transportation. The highest willingness to trade off was found for adjustments in room temperature, holiday travel behaviors, and living space. Participants’ preferences for the most energy-sufficient lifestyles were rather low. However, the study showed that there were lifestyles with substantive energy-saving potentials that were well accepted among respondents. Our study results suggest that the success of energy-sufficiency interventions might depend strongly on the targeted behavior. We speculate that they may face strong resistance (e.g., vegetarian diet). Thus, it seems promising to

Probing adsorption phenomena on a single crystal Pt-alloy surface under oxygen reduction reaction conditions

DEFF Research Database (Denmark)

Bondarenko, Alexander S.; Stephens, Ifan E.L.; Bech, Lone

2012-01-01

The adsorption dynamics of *OH and *O species at Pt(111) and Cu/Pt(111) near-surface alloy (NSA) surfaces in oxygen-free and O2-saturated 0.1M HClO4 was investigated. Subsurface Cu modifies the electronic structure at the Pt(111) surface resulting in weaker bonding to adsorbates like *OH, *H or *O....... This provides a basis for the high oxygen reduction activity of the NSA, as predicted by density functional theory calculations. The shift in *OH adsorption of around 0.16V towards more positive potentials can be clearly monitored in absence of O2 and under the oxygen reduction reaction (ORR) conditions...... for the Cu/Pt(111) NSA. In both cases, for Pt(111) and NSA, the *OH(*O) adsorption dynamics is very similar in the absence of oxygen and under ORR conditions. Therefore, theoretical assumptions about the coverage of adsorbates in the absence of oxygen can be reasonably extrapolated to the situation when...

Reaction mechanisms and kinetics of processing glucose, xylose and glucose-xylose mixtures under hot compressed water conditions for predicting bio-crude composition

DEFF Research Database (Denmark)

Grigoras, Ionela; Toor, Saqib Sohail; Rosendahl, Lasse Aistrup

Mechanisms for bio-crude formation during the conversion of glucose, xylose and glucose-xylose mixtures as biomass model compounds under hot compressed water conditions are investigated. Studies in literature have shown that the diverse products formed at the early stages of glucose or xylose...... conversion are 5-HMF, erythrose, glyceraldehyde, dihydroxyacetone, pyruvaldehyde, and saccharinic acids resulted through reactions such as dehydration, retro-aldol condensation and isomerization. However, these compounds are mostly water soluble compounds and lack the final steps towards formation of water...... insoluble components at longer reaction times. The effects of pressure, pH, catalyst and reaction time on the main products are examined thoroughly. The possible routes for the formation of oil compounds are developed....

Effect of Drying Conditions on the Catalytic Performance, Structure, and Reaction Rates over the Fe-Co-Mn/MgO Catalyst for Production of Light Olefins

Directory of Open Access Journals (Sweden)

Majid Abdouss

2018-01-01

How to Cite: Abdouss, M., Arsalanfar, M., Mirzaei, N., Zamani, Y. (2018. Effect of Drying Conditions on the Catalytic Performance, Structure, and Reaction Rates over the Fe-Co-Mn/MgO Catalyst for Production of Light Olefins. Bulletin of Chemical Reaction Engineering & Catalysis, 13 (1: 97-112 (doi:10.9767/bcrec.13.1.1222.97-112

Mn{sup 4+}-activated BaSiF{sub 6} red phosphor: Hydrothermal synthesis and dependence of its luminescent properties on reaction conditions

Energy Technology Data Exchange (ETDEWEB)

Zhou, Qiang; Zhou, Yayun [Key Laboratory of Comprehensive Utilization of Mineral Resources in Ethnic Regions, Joint Research Centre for International Cross-border Ethnic Regions Biomass Clean Utilization in Yunnan, School of Chemistry & Environment, Yunnan Minzu University, Kunming, 650500 (China); Lu, Fengqi [MOE Key Laboratory of New Processing Technology for Nonferrous Metals and Materials, College of Materials Science and Engineering, Guilin University of Technology, Guilin, 541004 (China); Liu, Yong [Key Laboratory of Comprehensive Utilization of Mineral Resources in Ethnic Regions, Joint Research Centre for International Cross-border Ethnic Regions Biomass Clean Utilization in Yunnan, School of Chemistry & Environment, Yunnan Minzu University, Kunming, 650500 (China); Wang, Qin [College of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming, Yunnan, 650500 (China); Luo, Lijun [Key Laboratory of Comprehensive Utilization of Mineral Resources in Ethnic Regions, Joint Research Centre for International Cross-border Ethnic Regions Biomass Clean Utilization in Yunnan, School of Chemistry & Environment, Yunnan Minzu University, Kunming, 650500 (China); Wang, Zhengliang, E-mail: wangzhengliang@foxmail.com [Key Laboratory of Comprehensive Utilization of Mineral Resources in Ethnic Regions, Joint Research Centre for International Cross-border Ethnic Regions Biomass Clean Utilization in Yunnan, School of Chemistry & Environment, Yunnan Minzu University, Kunming, 650500 (China)

2016-02-15

In this work, a series of BaSiF{sub 6}:Mn{sup 4+} red phosphors were synthesized through a hydrothermal route. The crystal structure and morphology were characterized by powder X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), and energy dispersive spectrometer (EDS) in detail. The influence of reaction conditions, including the concentration of KMnO{sub 4} and HF, reaction temperature and time, on the photoluminescence properties were investigated systematically. It can emit intense red light (∼636 nm) under blue light (∼458 nm) illumination. The white LED device based on YAG:Ce–BaSiF{sub 6}:Mn{sup 4+} mixture shows warm white light with low color temperature and high correlated color index, which reveals its potential application in WLED. - Highlights: • The crystal structure of BaSiF{sub 6}:Mn{sup 4+} has been verified using Rietveld refinement. • The optimum hydrothermal reaction condition for BaSiF{sub 6}:Mn{sup 4+} has been confirmed. • The white LED based on YAG:Ce–BaSiF{sub 6}:Mn{sup 4+} mixture presents warmer white light than that only with YAG:Ce.

Spin structure of the 3He from the dd → 3Hen reaction

International Nuclear Information System (INIS)

Ladygin, V.P.; Ladygina, N.B.

1995-01-01

The polarization observables in the reaction dd → 3 Hen are considered. Their high sensitivity to the 3 He wave function at short distances is shown. Using of both polarized target and beam allows to extend sufficiently the number of possible experiments and to separate 3 He structure from the reaction mechanisms using different relative orientations of initial deuteron spins. 27 refs., 5 figs

Equilibrium Droplets on Deformable Substrates: Equilibrium Conditions.

Science.gov (United States)

Koursari, Nektaria; Ahmed, Gulraiz; Starov, Victor M

2018-05-15

Equilibrium conditions of droplets on deformable substrates are investigated, and it is proven using Jacobi's sufficient condition that the obtained solutions really provide equilibrium profiles of both the droplet and the deformed support. At the equilibrium, the excess free energy of the system should have a minimum value, which means that both necessary and sufficient conditions of the minimum should be fulfilled. Only in this case, the obtained profiles provide the minimum of the excess free energy. The necessary condition of the equilibrium means that the first variation of the excess free energy should vanish, and the second variation should be positive. Unfortunately, the mentioned two conditions are not the proof that the obtained profiles correspond to the minimum of the excess free energy and they could not be. It is necessary to check whether the sufficient condition of the equilibrium (Jacobi's condition) is satisfied. To the best of our knowledge Jacobi's condition has never been verified for any already published equilibrium profiles of both the droplet and the deformable substrate. A simple model of the equilibrium droplet on the deformable substrate is considered, and it is shown that the deduced profiles of the equilibrium droplet and deformable substrate satisfy the Jacobi's condition, that is, really provide the minimum to the excess free energy of the system. To simplify calculations, a simplified linear disjoining/conjoining pressure isotherm is adopted for the calculations. It is shown that both necessary and sufficient conditions for equilibrium are satisfied. For the first time, validity of the Jacobi's condition is verified. The latter proves that the developed model really provides (i) the minimum of the excess free energy of the system droplet/deformable substrate and (ii) equilibrium profiles of both the droplet and the deformable substrate.

New Insight into the Hydrogen Evolution Reaction under Buffered Near-Neutral pH Conditions: Enthalpy and Entropy of Activation

KAUST Repository

Shinagawa, Tatsuya

2016-10-06

Electrochemical conversion of thermodynamically stable chemicals of water and carbon dioxide is regarded as a core technology for achieving sustainability in our society. In both cases, the electrochemical hydrogen evolution reaction (HER) is a key reaction, particularly at near-neutral pH. This study addresses the kinetic aspects of the HER in buffered near-neutral pH conditions using a variety of electrode materials (W, Ni, Pt, Au, and Cu) over a wide temperature range (299–346 K). When the overall performance was summarized with respect to the binding energy of the reaction intermediate species, a classic volcano-shaped relationship was obtained. Interestingly, the temperature sensitivity analysis disclosed that smaller activation energies did not always lead to higher performance in 1.5 mol L–1 K-phosphate solution (pH 5.8). Detailed analysis of the temperature- and potential-dependent parameters revealed that smaller activation energies coincided with smaller values of the pre-exponential factor in the Arrhenius’ equation (associated with the entropy of activation). Due to the trade-off relationship of enthalpy–entropy compensation in the current system, the conventional approach of mixing elements of lower and higher binding energies to the intermediate species failed: even though Ni–Cu showed lower apparent activation energy, its activity toward the HER was between that of Ni and Cu due to the lowered entropy of activation. This study demonstrates the unrevealed fundamental aspects of the HER in buffered near-neutral condition, which contributes to the rational development of efficient energy and material conversion systems.

Controlled release of volatiles under mild reaction conditions: from nature to everyday products.

Science.gov (United States)

Herrmann, Andreas

2007-01-01

Volatile organic compounds serve in nature as semiochemicals for communication between species, and are often used as flavors and fragrances in our everyday life. The quite limited longevity of olfactive perception has led to the development of pro-perfumes or pro-fragrances--ideally nonvolatile and odorless fragrance precursors which release the active volatiles by bond cleavage. Only a limited amount of reaction conditions, such as hydrolysis, temperature changes, as well as the action of light, oxygen, enzymes, or microorganisms, can be used to liberate the many different chemical functionalities. This Review describes the controlled chemical release of fragrances and discusses additional challenges such as precursor stability during product storage as well as some aspects concerning toxicity and biodegradability. As the same systems can be applied in different areas of research, the scope of this Review covers fragrance delivery as well as the controlled release of volatiles in general.

[Development the Japanese of the Self-Compassionate Reactions Inventory].

Science.gov (United States)

Miyagawa, Yuki; Taniguchi, Junichi

2016-04-01

Self-compassion is defined as being compassionate towards the self in times of suffering, and is composed of the following three components: self-kindness, common humanity, and mindfulness. This article reports the development of the Japanese version of the Self-Compassionate Reactions Inventory (SCRI-J). The SCRI-J measures self-compassion based on the degree to which people choose self-compassionate reactions to 8 hypothetical hardships. Study 1: (N = 179) showed that the SCRI-J had sufficient internal consistency. In terms of its validity, results showed a positive correlation between the SCRI-J and the Japanese version of the Self-Compassion Scale, supporting its concurrent validity. In addition, the SCRI-J was positively correlated with self-esteem and negatively correlated with psychological stress responses. Moreover, the association between the SCRI-J and stress responses remained significant when the effect of self-esteem was removed. In Study 2 (N = 90), the SCRI-J demonstrated high test-retest reliability over 3 weeks. Overall, the present study indicates that the SCRI-J has sufficient reliability and validity as a new scale for self-compassion.

Reaction Norms in Natural Conditions: How Does Metabolic Performance Respond to Weather Variations in a Small Endotherm Facing Cold Environments?

Science.gov (United States)

Petit, Magali; Vézina, François

2014-01-01

Reaction norms reflect an organisms' capacity to adjust its phenotype to the environment and allows for identifying trait values associated with physiological limits. However, reaction norms of physiological parameters are mostly unknown for endotherms living in natural conditions. Black-capped chickadees (Poecile atricapillus) increase their metabolic performance during winter acclimatization and are thus good model to measure reaction norms in the wild. We repeatedly measured basal (BMR) and summit (Msum) metabolism in chickadees to characterize, for the first time in a free-living endotherm, reaction norms of these parameters across the natural range of weather variation. BMR varied between individuals and was weakly and negatively related to minimal temperature. Msum varied with minimal temperature following a Z-shape curve, increasing linearly between 24°C and −10°C, and changed with absolute humidity following a U-shape relationship. These results suggest that thermal exchanges with the environment have minimal effects on maintenance costs, which may be individual-dependent, while thermogenic capacity is responding to body heat loss. Our results suggest also that BMR and Msum respond to different and likely independent constraints. PMID:25426860

Analysis of activation energy in Couette-Poiseuille flow of nanofluid in the presence of chemical reaction and convective boundary conditions

Science.gov (United States)

Zeeshan, A.; Shehzad, N.; Ellahi, R.

2018-03-01

The motivation of the current article is to explore the energy activation in MHD radiative Couette-Poiseuille flow nanofluid in horizontal channel with convective boundary conditions. The mathematical model of Buongiorno [1] effectively describes the current flow analysis. Additionally, the impact of chemical reaction is also taken in account. The governing flow equations are simplified with the help of boundary layer approximations. Non-linear coupled equations for momentum, energy and mass transfer are tackled with analytical (HAM) technique. The influence of dimensionless convergence parameter like Brownian motion parameter, radiation parameter, buoyancy ratio parameter, dimensionless activation energy, thermophoresis parameter, temperature difference parameter, dimensionless reaction rate, Schmidt number, Brinkman number, Biot number and convection diffusion parameter on velocity, temperature and concentration profiles are discussed graphically and in tabular form. From the results, it is elaborate that the nanoparticle concentration is directly proportional to the chemical reaction with activation energy and the performance of Brownian motion on nanoparticle concentration gives reverse pattern to that of thermophoresis parameter.

Report on thermic effects in the study of the control and propagation of nuclear reactions

International Nuclear Information System (INIS)

Naudet, R.

It is very likely that nuclear reactions in natural reactors are governed by temperature, chiefly as a result of the moderation rate when the water density is altered. Since reactors operate under high pressure, with supercritical water, high temperatures (at least 350 to 400 0 C in some instances) are required in order to stabilize the reactors. Some typical calculations are shown in order to illustrate the changes in the control temperature during irradiation. The speed and, therefore, the duration of reactions is determined by the need to maintain the necessary temperature required for criticality, with heat dissipation conditions taken into account. Apparent measured durations are compatible with heat dissipation by simple conduction. However, it is likely that convection currents exist, and that their effects are superimposed on those of simple conduction. Reaction propagation must also be taken into consideration since criticality cannot be realized simultaneously at every point. The presence of impurities such as gadolinium or samarium in the mineral ore allows reactions to propagate in initially subcritical increments, through progressive breakdown of the impurities by means of neutronic diffusion. However, it has been shown that this phenomenon is seriously affected by thermic effects. Typical calculations are presented. Results clearly depend on temperature distribution hypotheses; sufficient thermic coupling can totally inhibit reaction propagation. It is concluded that, if convection currents are present, propagation is favored inversely with respect to the currents, and therefore a priori downstream of the reactors. 6 figures

CATALYST-FREE REACTIONS UNDER SOLVENT-FEE CONDITIONS: MICROWAVE-ASSISTED SYNTHESIS OF HETEROCYCLIC HYDRAZONES BELOW THE MELTING POINT OF NEAT REACTANTS: JOURNAL ARTICLE

Science.gov (United States)

NRMRL-CIN-1437 Jeselnik, M., Varma*, R.S., Polanc, S., and Kocevar, M. Catalyst-free Reactions under Solvent-fee Conditions: Microwave-assisted Synthesis of Heterocyclic Hydrazones below the Melting Point of Neat Reactants. Published in: Chemical Communications 18:1716-1717 (200...

[Delayed reactions of active avoidance in white rats under conditions of an alternative choice].

Science.gov (United States)

Ioseliani, T K; Sikharulidze, N I; Kadagishvili, A Ia; Mitashvili, E G

1995-01-01

It was shown that if the rats had been learned and then tested using conventional pain punishment of erroneous choice they were able to solve the problem of alternative choice only in the period of immediate action of conditioned stimuli. If the pain punishment for erroneously chosen compartment had not been applied in animal learning and testing, rats successfully solved the problem of alternative choice even after 5-second delay. Introduction of pain punishment led to the frustration of earlier elaborated delayed avoidance reactions. Analysis of the obtained results allows us to argue that the apparent incapability of white rats for solving the problems of delayed avoidance is caused by simultaneous action of two different mechanisms, i.e., those of the active and passive avoidance rather than short-term memory deficit.

Production of nanocrystalline metal powders via combustion reaction synthesis

Science.gov (United States)

Frye, John G.; Weil, Kenneth Scott; Lavender, Curt A.; Kim, Jin Yong

2017-10-31

Nanocrystalline metal powders comprising tungsten, molybdenum, rhenium and/or niobium can be synthesized using a combustion reaction. Methods for synthesizing the nanocrystalline metal powders are characterized by forming a combustion synthesis solution by dissolving in water an oxidizer, a fuel, and a base-soluble, ammonium precursor of tungsten, molybdenum, rhenium, or niobium in amounts that yield a stoichiometric burn when combusted. The combustion synthesis solution is then heated to a temperature sufficient to substantially remove water and to initiate a self-sustaining combustion reaction. The resulting powder can be subsequently reduced to metal form by heating in a reducing gas environment.

Modeling Studies of Inhomogeneity Effects during Laser Flash Photolysis Experiments: A Reaction-Diffusion Approach.

Science.gov (United States)

Dóka, Éva; Lente, Gábor

2017-04-13

This work presents a rigorous mathematical study of the effect of unavoidable inhomogeneities in laser flash photolysis experiments. There are two different kinds of inhomegenities: the first arises from diffusion, whereas the second one has geometric origins (the shapes of the excitation and detection light beams). Both of these are taken into account in our reported model, which gives rise to a set of reaction-diffusion type partial differential equations. These equations are solved by a specially developed finite volume method. As an example, the aqueous reaction between the sulfate ion radical and iodide ion is used, for which sufficiently detailed experimental data are available from an earlier publication. The results showed that diffusion itself is in general too slow to influence the kinetic curves on the usual time scales of laser flash photolysis experiments. However, the use of the absorbances measured (e.g., to calculate the molar absorption coefficients of transient species) requires very detailed mathematical consideration and full knowledge of the geometrical shapes of the excitation laser beam and the separate detection light beam. It is also noted that the usual pseudo-first-order approach to evaluating the kinetic traces can be used successfully even if the usual large excess condition is not rigorously met in the reaction cell locally.

Improving the Perception of Self-Sufficiency towards Creative Drama

Science.gov (United States)

Pekdogan, Serpil; Korkmaz, Halil Ibrahim

2016-01-01

The purpose of this study is to investigate the effects of a Creative Drama Based Perception of Self-sufficiency Skills Training Program on 2nd grade bachelor degree students' (who are attending a preschool teacher training program) perception of self-sufficiency. This is a quasi-experimental study. Totally 50 students were equally divided into…

Fast Curing Bio-Based Phenolic Resins via Lignin Demethylated under Mild Reaction Condition

Directory of Open Access Journals (Sweden)

Jiongjiong Li

2017-09-01

Full Text Available Demethylation technique has been used to enhance lignin reactivity for preparation of phenolic resins. However, the demethylation efficiency and the demethylated lignin (DL reactivity were still unsatisfactory. To improve the demethylation efficiency, alkali lignin was demethylated under different mild conditions using sodium sulfite as a catalyst. Lignin and DL were characterized by 1H-NMR (nuclear magnetic resonance and Fourier transform infrared (FT-IR spectroscopy to determine the demethylation mechanism. With the demethylation of lignin, the methoxyl group content decreased from 1.93 m mol/g to 1.09 m mol/g, and the phenolic hydroxyl group content increased from 0.56 m mol/g to 0.82 m mol/g. These results revealed that methoxyl groups were attacked by SO32−, and some methoxyl groups were converted to phenolic hydroxyl groups by a nucleophilic substitution reaction, generating DL with high reactivity. The chemical properties of lignin-based phenolic resins were studied by 13C-NMR and FT-IR spectroscopy, and their physical properties were also investigated. The results indicated that lignin-based phenolic resins exhibited faster curing rate and shorter gel time. In addition, the bonding strength increased from 0.92 MPa to 1.07 MPa, and the formaldehyde emission decreased from 0.58 mg/L to 0.22 mg/L after lignin demethylated at the optimum condition.

Thermospheric/ionospheric disturbances under quiet and magneto-perturbed conditions

Science.gov (United States)

Zakharov, Ivan G.; Mozgovaya, O. L.

2003-04-01

The basic mechanisms of ionospheric storms (IS) are investigated sufficiently full. Despite of it a quantitative forecast of ionospheric disturbance is not always satisfactory. One of the possible causes can be related to the insufficient account of a background ionospheric. In particualr using electron concentration Ne in the peak of F2-region and total electron content are shown, that the amplitude of a IS positive phase for similar magnetic storms can differ by ~1,5 times. Hence a cause of distinction can be variations in the thermosphere conditions, not reflected by known activity indices. For further research we used the incoherent scatter radar data of the Institute of ionosphere in height range 200-1000 km in the very quiet periods coming to the geomagnetic disturbance. A steady periodic disturbance in Ne during quiet conditions in all heights is established, which can be identified as tidal moda m=6. The amplitude of wave is ~15%, the phase changes with a height. The storm onset leads to an increase of the amplitudes approximately twice without a change in the phase. An ionospheric disturbance in very quiet conditions can lead to additional complicating an ionosphere reaction to magnetic storm.

Influence of growth conditions and surface reaction byproducts on GaN grown via metal organic molecular beam epitaxy: Toward an understanding of surface reaction chemistry

Science.gov (United States)

Pritchett, David; Henderson, Walter; Burnham, Shawn D.; Doolittle, W. Alan

2006-04-01

The surface reaction byproducts during the growth of GaN films via metal organic molecular beam epitaxy (MOMBE) were investigated as a means to optimize material properties. Ethylene and ethane were identified as the dominant surface reaction hydrocarbon byproducts, averaging 27.63% and 7.15% of the total gas content present during growth. Intense ultraviolet (UV) photoexcitation during growth was found to significantly increase the abundance of ethylene and ethane while reducing the presence of H2 and N2. At 920°C, UV excitation was shown to enhance growth rate and crystalline quality while reducing carbon incorporation. Over a limited growth condition range, a 4.5×1019-3.4×1020 cm-3 variation in carbon incorporation was achieved at constant high vacuum. Coupled with growth rate gains, UV excitation yielded films with ˜58% less integrated carbon content. Structural material property variations are reported for various ammonia flows and growth temperatures. The results suggest that high carbon incorporation can be achieved and regulated during MOMBE growth and that in-situ optimization through hydrocarbon analysis may provide further enhancement in the allowable carbon concentration range.

Explore the reaction mechanism of the Maillard reaction: a density functional theory study.

Science.gov (United States)

Ren, Ge-Rui; Zhao, Li-Jiang; Sun, Qiang; Xie, Hu-Jun; Lei, Qun-Fang; Fang, Wen-Jun

2015-05-01

The mechanism of Maillard reaction has been investigated by means of density functional theory calculations in the gaseous phase and aqueous solution. The Maillard reaction is a cascade of consecutive and parallel reaction. In the present model system study, glucose and glycine were taken as the initial reactants. On the basis of previous experimental results, the mechanisms of Maillard reaction have been proposed, and the possibility for the formation of different compounds have been evaluated through calculating the relative energy changes for different steps of reaction under different pH conditions. Our calculations reveal that the TS3 in Amadori rearrangement reaction is the rate-determining step of Maillard reaction with the activation barriers of about 66.7 and 68.8 kcal mol(-1) in the gaseous phase and aqueous solution, respectively. The calculation results are in good agreement with previous studies and could provide insights into the reaction mechanism of Maillard reaction, since experimental evaluation of the role of intermediates in the Maillard reaction is quite complicated.

Reaction rate of hydrolysis of iodine

International Nuclear Information System (INIS)

Miyake, Yoshikazu; Eguchi, Wataru; Adachi, Motonari

1979-01-01

Absorption rates of dilute iodine vapor contained in air by aqueous mixtures of sodium hydroxide and boric acid were measured using a laminar liquid jet column absorber at 298 K. Absorption rates in this system are controlled by a series of complex reactions taking place in the liquid phase. The reaction rate constant of iodine hydrolysis in the aqueous phase was determined from the absorption rates observed under the conditions that the base-catalytic hydrolysis reaction of iodine can be considered to be irreversible and that other reactions can be neglected. The absorption rates calculated theoretically with the rate constant value obtained above were in good accordance with the whole experimental data observed for a wide range of experimental conditions. (author)

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

Science.gov (United States)

Blagojević, Slavica M; Anić, Slobodan R; Cupić, Zeljko D; Pejić, Natasa D; Kolar-Anić, Ljiljana Z

2008-11-28

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

Hydrogen production via thermochemical water-splitting by lithium redox reaction

International Nuclear Information System (INIS)

Nakamura, Naoya; Miyaoka, Hiroki; Ichikawa, Takayuki; Kojima, Yoshitsugu

2013-01-01

Highlights: •Hydrogen production via water-splitting by lithium redox reactions possibly proceeds below 800 °C. •Entropy control by using nonequilibrium technique successfully reduces the reaction temperature. •The operating temperature should be further reduced by optimizing the nonequilibrium condition to control the cycle. -- Abstracts: Hydrogen production via thermochemical water-splitting by lithium redox reactions was investigated as energy conversion technique. The reaction system consists of three reactions, which are hydrogen generation by the reaction of lithium and lithium hydroxide, metal separation by thermolysis of lithium oxide, and oxygen generation by hydrolysis of lithium peroxide. The hydrogen generation reaction completed at 500 °C. The metal separation reaction is thermodynamically difficult because it requires about 3400 °C in equilibrium condition. However, it was indicated from experimental results that the reaction temperature was drastically reduced to 800 °C by using nonequilibrium technique. The hydrolysis reaction was exothermic reaction, and completed by heating up to 300 °C. Therefore, it was expected that the water-splitting by lithium redox reactions was possibly operated below 800 °C under nonequilibrium condition

Fission product release in conditions of a spent fuel pool severe accident

International Nuclear Information System (INIS)

Ohai, Dumitru

2007-01-01

Full text: Depending on the residence time, fuel burnup, and fuel rack configuration, there may be sufficient decay heat for the fuel clad to heat up, swell, and burst in case of a loss of pool water. Initiating event categories can be: loss of offsite power from events initiated by severe weather, internal fire, loss of pool cooling, loss of coolant inventory, seismic event, aircraft impact, tornado, missile attack. The breach in the clad releases the radioactive gases present in the gap between the fuel and clad, what is called 'gap release'. If the fuel continues to heat up, the zirconium clad will reach the point of rapid oxidation in air. This reaction of zirconium and air, or zirconium and steam is exothermic. The energy released from the reaction, combined with the fuel's decay energy, can cause the reaction to become self-sustaining and ignite the zirconium. The increase in heat from the oxidation reaction can also raise the temperature in adjacent fuel assemblies and propagate the oxidation reaction. Simultaneously, the sintered UO 2 pellets resulting from pins destroying are oxidized. Due to the self-disintegration of pellets by oxidation, fission gases and low volatile fission products are released. The release rate, the chemical nature and the amount of fission products depend on powder granulation distribution and environmental conditions. The zirconium burning and pellets self-disintegration will result in a significant release of spent fuel fission products that will be dispersed from the reactor site. (author)

Long-Term Resource Adequacy, Long-Term Flexibility Requirements, and Revenue Sufficiency

Energy Technology Data Exchange (ETDEWEB)

Milligan, Michael [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Bloom, Aaron P [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Townsend, Aaron [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Ela, Erik [Electric Power Research Institute; Botterud, Audun [Argonne National Laboratory; Levin, Todd [Argonne National Laboratory

2018-02-15

Variable generation (VG) can reduce market prices over time and also the energy that other suppliers can sell in the market. The suppliers that are needed to provide capacity and flexibility to meet the long-term reliability requirements may, therefore, earn less revenue. This chapter discusses the topics of resource adequacy and revenue sufficiency - that is, determining and acquiring the quantity of capacity that will be needed at some future date and ensuring that those suppliers that offer the capacity receive sufficient revenue to recover their costs. The focus is on the investment time horizon and the installation of sufficient generation capability. First, the chapter discusses resource adequacy, including newer methods of determining adequacy metrics. The chapter then focuses on revenue sufficiency and how suppliers have sufficient opportunity to recover their total costs. The chapter closes with a description of the mechanisms traditionally adopted by electricity markets to mitigate the issues of resource adequacy and revenue sufficiency and discusses the most recent market design changes to address these issues.

Experimental and numerical reaction analysis on sodium-water chemical reaction field

International Nuclear Information System (INIS)

Deguchi, Yoshihiro; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

2015-01-01

In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using an elementary reaction analysis. A quasi one-dimensional flame model is applied to a sodium-water counter-flow reaction field. The analysis contains 25 elementary reactions, which consist of 17 H_2-O_2 and 8 Na-H_2O reactions. Temperature and species concentrations in the counter-flow reaction field were measured using laser diagnostics such as LIF and CARS. The main reaction in the experimental conditions is Na+H_2O → NaOH+H and OH is produced by H_2O+H → H_2+OH. It is demonstrated that the reaction model in this study well explains the structure of the sodium-water counter-flow diffusion flame. (author)

Investigation of Na-CO2 Reaction with Initial Reaction in Various Reacting Surface

International Nuclear Information System (INIS)

Kim, Hyun Su; Park, Gunyeop; Kim, Soo Jae; Park, Hyun Sun; Kim, Moo Hwan; Wi, Myung-Hwan

2015-01-01

The reaction products that cause oxidation and erosion are threaten the heat transfer tubes so that it is necessary to investigate Na-CO 2 reaction according to various experimental parameter. Unlike SWR, Na-CO 2 reaction is more complex to deal with reaction kinetics. Since a comprehensive understanding of Na-CO 2 reaction mechanism is crucial for the safety analysis, the reaction phenomenon under the various conditions was investigated. The current issue is to make a database for developing computational code for CO 2 gas leak situation because it is experimentally difficult to analyze the actual accident situation. Most studies on Na-CO 2 interaction reports that chemical reaction is getting vigorous as temperature increased and reactivity is sensitive as temperature change between 400 .deg. C and 600 .deg. C. Therefore, temperature range is determined based on the operating condition (450 - 500 .deg. C) of KALIMER-600 employed as supercritical CO 2 brayton cycle energy conversion system for Na-CO 2 heat exchanger. And next parameter is sodium surface area which contact between sodium and CO 2 when CO 2 is injected into sodium pool in the accident situation. So, the fundamental surface reaction is experimentally studied in the range of 8 - 12cm 2 . Additionally, it has been reported in recent years that CO 2 Flow rate affects reactivity less significantly and CO 2 flow rate is assumed that 5 SLPM (standard liter per minute) is suitable as a basis for a small leakage. The finally selected control parameters is sodium temperature and reacting surface area with constant CO 2 flow rate. Na-CO 2 reaction test is performed for investigating risk of potential accident which contacts with liquid sodium and CO 2 . Amount of reaction is saturated as time passed because of kept a balance between production of solid phase reaction products and amount of diffusivity. These results contribute to make a database for the SFR safety analysis and additional experiments are needed

EXAMINATION OF THE SIMULATED THERMAL CONDITIONS IN A POPULAR PLAYGROUND RELATED TO THE HUMAN REACTIONS AND THE JUDGMENT OF THE AREA DESIGN

OpenAIRE

L.A. ÉGERHÁZI; A. KOVÁCS; N. KÁNTOR; J. UNGER

2013-01-01

In the field of urban bioclimatology an important and timely research direction today is to examine the thermal conditions of public places. In our study, human thermal comfort analysis was performed in a modern and well-attended children playground located in Szeged (Hungary). The aim of the paper is to reveal the changes in the thermal comfort conditions between two seasons and also the resulting subjective thermal reactions of visitors in this relatively small area. Thermal comfort conditi...

Nonequilibrium thermodynamics and a fluctuation theorem for individual reaction steps in a chemical reaction network

International Nuclear Information System (INIS)

Pal, Krishnendu; Das, Biswajit; Banerjee, Kinshuk; Gangopadhyay, Gautam

2015-01-01

We have introduced an approach to nonequilibrium thermodynamics of an open chemical reaction network in terms of the propensities of the individual elementary reactions and the corresponding reverse reactions. The method is a microscopic formulation of the dissipation function in terms of the relative entropy or Kullback-Leibler distance which is based on the analogy of phase space trajectory with the path of elementary reactions in a network of chemical process. We have introduced here a fluctuation theorem valid for each opposite pair of elementary reactions which is useful in determining the contribution of each sub-reaction on the nonequilibrium thermodynamics of overall reaction. The methodology is applied to an oligomeric enzyme kinetics at a chemiostatic condition that leads the reaction to a nonequilibrium steady state for which we have estimated how each step of the reaction is energy driven or entropy driven to contribute to the overall reaction. (paper)

A new assessment method for demonstrating the sufficiency of the safety assessment and the safety margins of the geological disposal system

International Nuclear Information System (INIS)

Ohi, Takao; Kawasaki, Daisuke; Chiba, Tamotsu; Takase, Toshio; Hane, Koji

2013-01-01

A new method for demonstrating the sufficiency of the safety assessment and safety margins of the geological disposal system has been developed. The method is based on an existing comprehensive sensitivity analysis method and can systematically identify the successful conditions, under which the dose rate does not exceed specified safety criteria, using analytical solutions for nuclide migration and the results of a statistical analysis. The successful conditions were identified using three major variables. Furthermore, the successful conditions at the level of factors or parameters were obtained using relational equations between the variables and the factors or parameters making up these variables. In this study, the method was applied to the safety assessment of the geological disposal of transuranic waste in Japan. Based on the system response characteristics obtained from analytical solutions and on the successful conditions, the classification of the analytical conditions, the sufficiency of the safety assessment and the safety margins of the disposal system were then demonstrated. A new assessment procedure incorporating this method into the existing safety assessment approach is proposed in this study. Using this procedure, it is possible to conduct a series of safety assessment activities in a logical manner. (author)

New model of chlorine-wall reaction for simulating chlorine concentration in drinking water distribution systems.

Science.gov (United States)

Fisher, Ian; Kastl, George; Sathasivan, Arumugam

2017-11-15

Accurate modelling of chlorine concentrations throughout a drinking water system needs sound mathematical descriptions of decay mechanisms in bulk water and at pipe walls. Wall-reaction rates along pipelines in three different systems were calculated from differences between field chlorine profiles and accurately modelled bulk decay. Lined pipes with sufficiently large diameters (>500 mm) and higher chlorine concentrations (>0.5 mg/L) had negligible wall-decay rates, compared with bulk-decay rates. Further downstream, wall-reaction rate consistently increased (peaking around 0.15 mg/dm 2 /h) as chlorine concentration decreased, until mass-transport to the wall was controlling wall reaction. These results contradict wall-reaction models, including those incorporated in the EPANET software, which assume wall decay is of either zero-order (constant decay rate) or first-order (wall-decay rate reduces with chlorine concentration). Instead, results are consistent with facilitation of the wall reaction by biofilm activity, rather than surficial chemical reactions. A new model of wall reaction combines the effect of biofilm activity moderated by chlorine concentration and mass-transport limitation. This wall reaction model, with an accurate bulk chlorine decay model, is essential for sufficiently accurate prediction of chlorine residuals towards the end of distribution systems and therefore control of microbial contamination. Implementing this model in EPANET-MSX (or similar) software enables the accurate chlorine modelling required for improving disinfection strategies in drinking water networks. New insight into the effect of chlorine on biofilm can also assist in controlling biofilm to maintain chlorine residuals. Copyright © 2017 Elsevier Ltd. All rights reserved.

Biodiesel production from various oils under supercritical fluid conditions by Candida antartica lipase B using a stepwise reaction method.

Science.gov (United States)

Lee, Jong Ho; Kwon, Cheong Hoon; Kang, Jeong Won; Park, Chulhwan; Tae, Bumseok; Kim, Seung Wook

2009-05-01

In this study, we evaluate the effects of various reaction factors, including pressure, temperature, agitation speed, enzyme concentration, and water content to increase biodiesel production. In addition, biodiesel was produced from various oils to establish the optimal enzymatic process of biodiesel production. Optimal conditions were determined to be as follows: pressure 130 bar, temperature 45 degrees C, agitation speed 200 rpm, enzyme concentration 20%, and water contents 10%. Among the various oils used for production, olive oil showed the highest yield (65.18%) upon transesterification. However, when biodiesel was produced using a batch system, biodiesel conversion yield was not increased over 65%; therefore, a stepwise reaction was conducted to increase biodiesel production. When a reaction medium with an initial concentration of methanol of 60 mmol was used and adjusted to maintain this concentration of methanol every 1.5 h during biodiesel production, the conversion yield of biodiesel was 98.92% at 6 h. Finally, reusability was evaluated using immobilized lipase to determine if this method was applicable for industrial biodiesel production. When biodiesel was produced repeatedly, the conversion rate was maintained at over 85% after eight reuses.

Transforming the energy system: Why municipalities strive for energy self-sufficiency

International Nuclear Information System (INIS)

Engelken, Maximilian; Römer, Benedikt; Drescher, Marcus; Welpe, Isabell

2016-01-01

Despite evidence that a rising number of municipalities in Germany are striving for energy self-sufficiency, there is little understanding of the driving factors behind this development. We investigate economic, ecological, social and energy system related factors that drive municipalities to strive for energy self-sufficiency with a focus on electricity supply. The empirical data for this study is based on insights generated through expert interviews (N =19) with mayors, energy experts and scientists as well as a quantitative study among mayors and energy officers (N =109) of German municipalities. Results show that environmental awareness, tax revenues and greater independence from private utilities are positively related to the mayors’ attitude towards the realization of energy self-sufficiency. Furthermore, citizens, the political environment, the mayor's political power, and his/her financial resources are relevant factors for a municipality striving for energy self-sufficiency. Policymakers need to decide whether or not to support mayors in this development. For suitable policy interventions, the results suggest the importance of an integrated approach that considers a combination of identified factors. Finally, we propose a morphological box to structure different aspects of energy self-sufficiency and categorize the present study. - Highlights: • Municipalities striving for energy self-sufficiency can play a key role in the transition of the energy system. • Tax revenues and environmental awareness main drivers behind mayors’ attitude towards energy self-sufficiency. • Citizens and the political environment main influencers of mayors striving for energy self-sufficiency. • 19 expert interviews analyzed for the framework of the study based on the theory of planned behavior (TPB). • 109 mayors and energy officers participated in the quantitative main survey.

Effect of Solvents on the Product Distribution and Reaction Rate of a Buchwald-Hartwig Amination Reaction

DEFF Research Database (Denmark)

Christensen, H.; Kiil, Søren; Dam-Johansen, Kim

2006-01-01

The Buchwald-Hartwig amination reaction between p-bromotoluene and piperazine in the presence of the homogeneous catalytic system Pd(dba)(2)/(+/-)-BINAP and the base NaO-t-Bu was investigated in two different classes of solvents: aprotic, nonpolar and aprotic, polar. The reaction was carried out...... solvent for the Buchwald-Hartwig amination reaction under the conditions applied was m-xylene....

A scalable computational framework for establishing long-term behavior of stochastic reaction networks.

Directory of Open Access Journals (Sweden)

Ankit Gupta

2014-06-01

Full Text Available Reaction networks are systems in which the populations of a finite number of species evolve through predefined interactions. Such networks are found as modeling tools in many biological disciplines such as biochemistry, ecology, epidemiology, immunology, systems biology and synthetic biology. It is now well-established that, for small population sizes, stochastic models for biochemical reaction networks are necessary to capture randomness in the interactions. The tools for analyzing such models, however, still lag far behind their deterministic counterparts. In this paper, we bridge this gap by developing a constructive framework for examining the long-term behavior and stability properties of the reaction dynamics in a stochastic setting. In particular, we address the problems of determining ergodicity of the reaction dynamics, which is analogous to having a globally attracting fixed point for deterministic dynamics. We also examine when the statistical moments of the underlying process remain bounded with time and when they converge to their steady state values. The framework we develop relies on a blend of ideas from probability theory, linear algebra and optimization theory. We demonstrate that the stability properties of a wide class of biological networks can be assessed from our sufficient theoretical conditions that can be recast as efficient and scalable linear programs, well-known for their tractability. It is notably shown that the computational complexity is often linear in the number of species. We illustrate the validity, the efficiency and the wide applicability of our results on several reaction networks arising in biochemistry, systems biology, epidemiology and ecology. The biological implications of the results as well as an example of a non-ergodic biological network are also discussed.

Setup for fission and evaporation cross-section measurements in reactions induced by secondary beams

International Nuclear Information System (INIS)

Hassan, A.A.; Luk'yanov, S.M.; Kalpakchieva, R.; Skobelev, N.K.; Penionzhkevich, Yu.Eh.; Dlouhy, Z.; Radnev, S.; Poroshin, N.V.

2002-01-01

A setup for studying reactions induced by secondary radioactive beams has been constructed. It allows simultaneous measurement of α-particle and fission fragment energy spectra. By measuring the α-particles, identification of evaporation residues is achieved. A set of three targets can be used so as to ensure sufficient statistics. Two silicon detectors, located at 90 degrees to the secondary beam direction, face each target, thus covering 30% of the solid angle. This experimental setup is to be used to obtain excitation functions of fusion-fission reactions and of reactions leading to evaporation residue production

Increasing urban water self-sufficiency: New era, new challenges

DEFF Research Database (Denmark)

Rygaard, Martin; Binning, Philip John; Albrechtsen, Hans-Jørgen

2011-01-01

and 15 in-depth case studies, solutions used to increase water self-sufficiency in urban areas are analyzed. The main drivers for increased self-sufficiency were identified to be direct and indirect lack of water, constrained infrastructure, high quality water demands and commercial and institutional...... pressures. Case studies demonstrate increases in self-sufficiency ratios to as much as 80% with contributions from recycled water, seawater desalination and rainwater collection. The introduction of alternative water resources raises several challenges: energy requirements vary by more than a factor of ten...... amongst the alternative techniques, wastewater reclamation can lead to the appearance of trace contaminants in drinking water, and changes to the drinking water system can meet tough resistance from the public. Public water-supply managers aim to achieve a high level of reliability and stability. We...

Optimality Conditions in Differentiable Vector Optimization via Second-Order Tangent Sets

International Nuclear Information System (INIS)

Jimenez, Bienvenido; Novo, Vicente

2004-01-01

We provide second-order necessary and sufficient conditions for a point to be an efficient element of a set with respect to a cone in a normed space, so that there is only a small gap between necessary and sufficient conditions. To this aim, we use the common second-order tangent set and the asymptotic second-order cone utilized by Penot. As an application we establish second-order necessary conditions for a point to be a solution of a vector optimization problem with an arbitrary feasible set and a twice Frechet differentiable objective function between two normed spaces. We also establish second-order sufficient conditions when the initial space is finite-dimensional so that there is no gap with necessary conditions. Lagrange multiplier rules are also given

Economic potential of demand response at household level—Are Central-European market conditions sufficient?

International Nuclear Information System (INIS)

Prüggler, Natalie

2013-01-01

The aim of this paper is to show the economic potential of demand response (DR) on household level at Central European market conditions. Thereby, required economic benefits for consumers' participation, the realistic load shifting potential at household level and the estimation of essential intelligent infrastructure costs are discussed. The core of this paper builds a case-study applying spot market-oriented load shifting from the supplier's point of view by using Austrian electricity market data, household load profiles as well as a heat pump and e-car charging load profile. It is demonstrated which cost savings for suppliers can be derived from such load shifting procedure at household level. Furthermore, upper cost limits for intelligent infrastructure in order to break-even are derived. Results suggest to take a critical look at European discussions on DR implementation on household level, showing that at Central European market conditions the potential for DR at household level is restricted to significant loads and hence, the applied load shifting strategy is only beneficial with application to heat pumps. In contrast, the frequently discussed shifting of conventional household devices' loads (such as washing machines) economically does not add up. - Highlights: • Calculation of economic potential of domestic DR at Central European market conditions. • Model and case-study of spot market-oriented load shifting from supplier's perspective. • Derivation of supplier's cost savings and upper cost limits for ICT infrastructure. • Results show economic potential of domestic DR to be restricted to significant loads. • Shifting of washing machines economically does not pay off in contrast to heat pumps

Reaction of hydrogen atoms with acrylaldehyde

International Nuclear Information System (INIS)

Koda, Seiichiro; Nakamura, Kazumoto; Hoshino, Takashi; Hikita, Tsutomu

1978-01-01

The reaction of hydrogen atoms with acrylaldehyde was investigated in a fast flow reactor equipped with a time-of-flight type mass spectrometer under reduced pressure. Main reaction products were carbon monoxide, ethylene, ethane, methane, and propanal. Consideration of the distributions of the reaction products under various reaction conditions showed that hydrogen atoms attacked the C=C double bond, especially its inner carbon side under reduced pressure. Resulting hot radicals caused subsequent reactions. The relative value of the apparent bimolecular rate constant of the reaction against that of trans-2-butene with hydrogen atoms was 1.6+-0.2, which supported the above-mentioned initial reaction. (auth.)

Metabolic and transcriptomic response of the wine yeast Saccharomyces cerevisiae strain EC1118 after an oxygen impulse under carbon-sufficient, nitrogen-limited fermentative conditions.

Science.gov (United States)

Orellana, Marcelo; Aceituno, Felipe F; Slater, Alex W; Almonacid, Leonardo I; Melo, Francisco; Agosin, Eduardo

2014-05-01

During alcoholic fermentation, Saccharomyces cerevisiae is exposed to continuously changing environmental conditions, such as decreasing sugar and increasing ethanol concentrations. Oxygen, a critical nutrient to avoid stuck and sluggish fermentations, is only discretely available throughout the process after pump-over operation. In this work, we studied the physiological response of the wine yeast S. cerevisiae strain EC1118 to a sudden increase in dissolved oxygen, simulating pump-over operation. With this aim, an impulse of dissolved oxygen was added to carbon-sufficient, nitrogen-limited anaerobic continuous cultures. Results showed that genes related to mitochondrial respiration, ergosterol biosynthesis, and oxidative stress, among other metabolic pathways, were induced after the oxygen impulse. On the other hand, mannoprotein coding genes were repressed. The changes in the expression of these genes are coordinated responses that share common elements at the level of transcriptional regulation. Beneficial and detrimental effects of these physiological processes on wine quality highlight the dual role of oxygen in 'making or breaking wines'. These findings will facilitate the development of oxygen addition strategies to optimize yeast performance in industrial fermentations. © 2014 Federation of European Microbiological Societies. Published by John Wiley & Sons Ltd. All rights reserved.

Denmark. Self-sufficiency and reserves management

International Nuclear Information System (INIS)

Erceville, H. d'.

1997-01-01

Since 1991, Denmark is a self-sufficient and a net petroleum and natural gas exporting country. Like all neighboring countries of the North sea, this country enjoys many advantages. However, Denmark exports and imports about a third of its hydrocarbons. This policy is a way to control its reserves for the future. (J.S.)

Discussion of the Investigation Method on the Reaction Kinetics of Metallurgical Reaction Engineering

Science.gov (United States)

Du, Ruiling; Wu, Keng; Zhang, Jiazhi; Zhao, Yong

Reaction kinetics of metallurgical physical chemistry which was successfully applied in metallurgy (as ferrous metallurgy, non-ferrous metallurgy) became an important theoretical foundation for subject system of traditional metallurgy. Not only the research methods were very perfect, but also the independent structures and systems of it had been formed. One of the important tasks of metallurgical reaction engineering was the simulation of metallurgical process. And then, the mechanism of reaction process and the conversion time points of different control links should be obtained accurately. Therefore, the research methods and results of reaction kinetics in metallurgical physical chemistry were not very suitable for metallurgical reaction engineering. In order to provide the definite conditions of transmission, reaction kinetics parameters and the conversion time points of different control links for solving the transmission and reaction equations in metallurgical reaction engineering, a new method for researching kinetics mechanisms in metallurgical reaction engineering was proposed, which was named stepwise attempt method. Then the comparison of results between the two methods and the further development of stepwise attempt method were discussed in this paper. As a new research method for reaction kinetics in metallurgical reaction engineering, stepwise attempt method could not only satisfy the development of metallurgical reaction engineering, but also provide necessary guarantees for establishing its independent subject system.

Engineering human cytochrome P450 enzymes into catalytically self-sufficient chimeras using molecular Lego.

Science.gov (United States)

Dodhia, Vikash Rajnikant; Fantuzzi, Andrea; Gilardi, Gianfranco

2006-10-01

The membrane-bound human cytochrome P450s have essential roles in the metabolism of endogenous compounds and drugs. Presented here are the results on the construction and characterization of three fusion proteins containing the N-terminally modified human cytochrome P450s CYP2C9, CY2C19 and CYP3A4 fused to the soluble NADPH-dependent oxidoreductase domain of CYP102A1 from Bacillus megaterium. The constructs, CYP2C9/BMR, CYP2C19/BMR and CYP3A4/BMR are well expressed in Escherichia coli as holo proteins. The chimeras can be purified in the absence of detergent and the purified enzymes are both active and correctly folded in the absence of detergent, as demonstrated by circular dichroism and functional studies. Additionally, in comparison with the parent P450 enzyme, these chimeras have greatly improved solubility properties. The chimeras are catalytically self-sufficient and present turnover rates similar to those reported for the native enzymes in reconstituted systems, unlike previously reported mammalian cytochrome P450 fusion proteins. Furthermore the specific activities of these chimeras are not dependent on the enzyme concentration present in the reaction buffer and they do not require the addition of accessory proteins, detergents or phospholipids to be fully active. The solubility, catalytic self-sufficiency and wild-type like activities of these chimeras would greatly simplify the studies of cytochrome P450 mediated drug metabolism in solution.

Chemistry and reaction kinetics of biowaste torrefaction

NARCIS (Netherlands)

Stelt, van der M.J.C.

2011-01-01

This thesis addresses the question of how the chemistry and reaction kinetics of torrefaction are influenced by reaction conditions and the effects occuring during the reaction. This research question can be specified by questions such as, what controls their kinetics during torrefaction and what

Thermal aromatic Claisen rearrangement and Strecker reaction of alkyl(allyl-aryl ethers under green reaction conditions: Efficient and clean preparation of ortho-allyl phenols (naphthols and alkyl(allyloxyarene-based γ-amino nitriles

Directory of Open Access Journals (Sweden)

Kheila N. Silgado-Gómez

2017-11-01

Full Text Available Chemical transformations of 13 diverse allyl(alkyl-aryl ethers, easily prepared using Williamson reaction of different hydroxyarenes and allyl bromide and alkyl (n-butyl, n-octyl bromides, were studied. Thermal aromatic Claisen rearrangement of allyl-aryl ethers to obtain ortho-allyl phenols (naphthols employing propylene carbonate as a nontoxic and biodegradable solvent was described for the first time. The use of this green solvent allowed to enhance notably product yields and reduce significantly the reaction time comparing with the use of 1,2-dichlorobenzene, toxic solvent, which is traditionally employed in this type of Claisen rearrangement. Three-component Strecker reaction of selected alkyl(allyl-aryl ethers with formyl function on aryl fragment and, piperidine and potassium cyanide in the presence of sulfuric acid supported on silica gel (SSA, SiO2-O-SO3H under mild reaction conditions was used in the preparation of new γ-amino nitriles, analogues of alkaloid girgensohnine [2-(4-hydroxyphenyl-2-(piperidin-1-ylacetonitrile], a perspective biological model in the search for new insecticidal agrochemicals against Aedes aegypti. The use of SSA, an inexpensive and reusable solid catalyst, allowed to obtain new series of 2-[4-alkyl(allyloxyphenyl]-2-(piperidin-1-ylacetonitriles in short time at room temperature with good yields.

The dynamics of the Hg + Br2 reaction: elucidation of the reaction mechanism for the Br exchange reaction.

Science.gov (United States)

Jambrina, P G; Menéndez, M; Aoiz, F J

2017-06-28

In spite of its importance in the Hg atmospheric chemistry, the dynamics of the Hg + Br 2 → HgBr + Br reaction is poorly understood. In this article, we have carried out a comprehensive study of the reaction mechanism of this reaction by means of quasiclassical trajectories (QCTs) on an existing ab initio potential energy surface (PES). The reaction has a non trivial dynamics, as a consequence of its large endothermicity, the presence of a deep potential well, and the competition between the Br exchange and the collision induced dissociation processes. Our calculations demonstrate that insertion is only relevant at energies just above the reaction threshold and that, at energies above 2.3 eV, HgBr formation typically takes place via a sort of frustrated dissociation. In order to compare directly with the results obtained in extensive cross molecular beam experiments for the homologous reaction with I 2 , angular distributions in the laboratory frame for Hg + Br 2 have been simulated under similar experimental conditions. The lack of agreement at the highest energies considered suggests that either the two reactions have substantially different mechanisms or that calculations on a single PES cannot account for the dynamics at those energies.

The influence of processing conditions on the microstructure and the mechanical properties of reaction sintered silicon nitride

International Nuclear Information System (INIS)

Heinrich, J.

1979-09-01

The microstructure of reaction sintered silicon nitride (RBSN) was changed in a wide range of varying green density, grain size of the silicon starting powder, nitriding conditions, and by introducing artificial pores. The influence of single microstructural parameters on mechanical properties like room temperature strength, creep behaviour, and resistance to thermal shock has been investigated. The essential factors influencing these properties were found to be total porosity, pore size distribution, and the fractions of α- and β-Si 3 N 4 . In view of high temperature engineering applications of RBSN possibilities to optimize the material's properties by controlled processing are discussed. (orig.) [de

Delay-induced Turing-like waves for one-species reaction-diffusion model on a network

Science.gov (United States)

Petit, Julien; Carletti, Timoteo; Asllani, Malbor; Fanelli, Duccio

2015-09-01

A one-species time-delay reaction-diffusion system defined on a complex network is studied. Traveling waves are predicted to occur following a symmetry-breaking instability of a homogeneous stationary stable solution, subject to an external nonhomogeneous perturbation. These are generalized Turing-like waves that materialize in a single-species populations dynamics model, as the unexpected byproduct of the imposed delay in the diffusion part. Sufficient conditions for the onset of the instability are mathematically provided by performing a linear stability analysis adapted to time-delayed differential equations. The method here developed exploits the properties of the Lambert W-function. The prediction of the theory are confirmed by direct numerical simulation carried out for a modified version of the classical Fisher model, defined on a Watts-Strogatz network and with the inclusion of the delay.

33 CFR 115.30 - Sufficiency of State authority for bridges.

Science.gov (United States)

2010-07-01

... for bridges. 115.30 Section 115.30 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY BRIDGES BRIDGE LOCATIONS AND CLEARANCES; ADMINISTRATIVE PROCEDURES § 115.30 Sufficiency of State authority for bridges. An opinion of the attorney general of the State as to the sufficiency of State...

Rate constant for the H˙ + H2O → ˙OH + H2 reaction at elevated temperatures measured by pulse radiolysis.

Science.gov (United States)

Muroya, Y; Yamashita, S; Lertnaisat, P; Sanguanmith, S; Meesungnoen, J; Jay-Gerin, J-P; Katsumura, Y

2017-11-22

Maintaining the structural integrity of materials in nuclear power plants is an essential issue associated with safe operation. Hydrogen (H 2 ) addition or injection to coolants is a powerful technique that has been widely applied such that the reducing conditions in the coolant water avoid corrosion and stress corrosion cracking (SCC). Because the radiation-induced reaction of ˙OH + H 2 → H˙ + H 2 O plays a crucial role in these systems, the rate constant has been measured at operation temperatures of the reactors (285-300 °C) by pulse radiolysis, generating sufficient data for analysis. The reverse reaction H˙ + H 2 O → ˙OH + H 2 is negligibly slow at ambient temperature; however, it accelerates considerably quickly at elevated temperatures. Although the reverse reaction reduces the effectiveness of H 2 addition, reliable rate constants have not yet been measured. In this study, the rate constants have been determined in a temperature range of 250-350 °C by pulse radiolysis in an aqueous I - solution.

Reaction paths and rate constants of the reaction of hydroxyl radicals with environmental species under tropospheric conditions

International Nuclear Information System (INIS)

Leonard, C.; Wahner, A.; Zetzsch, C.

1987-01-01

The uv-laser absorption technique in a multipath cell (with excimer-laser photolysis for radical production) is used to investigate the rate constants of the reaction of OH with carbon monoxide. The pressure dependence and the influence of collision partners (measurements in pure oxygen up to one atmosphere) of this important atmospheric chemical reaction are determined. In the kinetic measurements detection limits of 10 7 OH cm -3 are reached with millisecond time resolution. Furthermore the application of the cw-Laser for stationary OH measurements (for example in smog chambers or the free troposphere) is described. The possibilities and limits of different detection methods are discussed with respect to of noise spectra. Modifications of the apparatus with a frequency modulation technique are presented, with an extrapolated detection limit of 10 5 OH cm -3 . (orig.) With 43 refs., 16 figs [de

An efficient catalyst for asymmetric Reformatsky reaction

Indian Academy of Sciences (India)

rate enantioselectivity using N,N-dialkylnorephedrines as chiral ligands. ..... temperatures also, there was no product conversion. ... Optimization of reaction conditions for asymmetric Reformatsky reaction between benzaldehyde and α-.

Enough is as good as a feast - sufficiency as policy. Volume 1

International Nuclear Information System (INIS)

Darby, Sarah

2007-01-01

The concept of sufficiency has a long history, related as it is to the timeless issues of how best to distribute and use resources. Where energy is concerned, absolute reductions in demand are increasingly seen as necessary in response to climate change and energy security concerns. There is an acknowledgement that, collectively if not individually, humans have gone beyond safe limits in their use of fuels. The relatively wealthy and industrialised nations urgently need to move beyond a primary focus on efficiency to the more contentious issues surrounding demand reduction and sufficiency. The paper considers definitions of energy sufficiency, looks at a recent attempt to model future energy use in terms of efficiency and sufficiency, and discusses quantitative and qualitative aspects of sufficiency and how they might become institutionalised. There are many arguments in favour of sufficiency but they often founder in the face of political requirements for market growth and the employment generated by it. Some options for 'sufficiency policy' are selected, including a focus on energy in relation to livelihoods, energy implications of our use of time and making energy use more transparent

Enough is as good as a feast - sufficiency as policy. Volume 1

Energy Technology Data Exchange (ETDEWEB)

Darby, Sarah [Lower Carbon Futures, Environmental Change Inst., Oxford Univ. Centre for the Environment (United Kingdom)

2007-07-01

The concept of sufficiency has a long history, related as it is to the timeless issues of how best to distribute and use resources. Where energy is concerned, absolute reductions in demand are increasingly seen as necessary in response to climate change and energy security concerns. There is an acknowledgement that, collectively if not individually, humans have gone beyond safe limits in their use of fuels. The relatively wealthy and industrialised nations urgently need to move beyond a primary focus on efficiency to the more contentious issues surrounding demand reduction and sufficiency. The paper considers definitions of energy sufficiency, looks at a recent attempt to model future energy use in terms of efficiency and sufficiency, and discusses quantitative and qualitative aspects of sufficiency and how they might become institutionalised. There are many arguments in favour of sufficiency but they often founder in the face of political requirements for market growth and the employment generated by it. Some options for 'sufficiency policy' are selected, including a focus on energy in relation to livelihoods, energy implications of our use of time and making energy use more transparent.

Is the presence of 6 or fewer crypt apoptotic bodies sufficient for diagnosis of graft versus host disease? A decade of experience at a single institution.

Science.gov (United States)

Lin, Jingmei; Fan, Rong; Zhao, Zijin; Cummings, Oscar W; Chen, Shaoxiong

2013-04-01

Histopathology assessment is crucial for the diagnosis of graft versus host disease (GVHD), as the presence of crypt apoptosis is the cardinal criterion required. However, crypt apoptosis is not limited to GVHD; it also occurs in other conditions such as infection, drug reaction, or inflammatory reactions unrelated to GVHD. To better determine whether the presence of 6 or fewer apoptotic bodies is sufficient for the diagnosis of GVHD, we retrospectively reviewed 78 colon biopsies from 66 patients who received either hematopoietic stem cell (HSCT) or cord blood cell transplantation and whose colon biopsies exhibited apoptotic bodies. Among them, 41 cases contained 6 or fewer apoptotic bodies in the colon biopsy. These biopsies were compared with 141 colon biopsy controls that showed no significant pathologic changes as well as 16 colon biopsies with cytomegalovirus colitis from patients without a history of bone marrow transplantation. Among the 41 cases reviewed, 7 patients had coexisting GVHD in other organs (skin or liver). However, gastrointestinal symptoms of at least 4 HSCT patients whose colon biopsies contained 6 or fewer apoptotic bodies completely resolved in the absence of further intervention for GVHD. The discrepancy between pathologic findings and the clinical course may be due to confounding factors, such as infection or medication-induced injury. Our data suggest that identifying 6 or fewer crypt apoptotic bodies in colon biopsies from HSCT patients is worth reporting in order to alert the clinicians of the possibility of GVHD but not sufficient to render a diagnosis on the pathologic grounds alone. The colon biopsies containing 6 or fewer apoptotic bodies represent a heterogenous group. We suggest this group to be classified as indeterminate for GVHD, instead of diagnosing GVHD outright. Synthesis of all clinical, endoscopic, and pathologic information, including the status of infection, coexisting GVHD involvement in the other organs, and

Food Self-Sufficiency across scales: How local can we go?

Science.gov (United States)

Pradhan, Prajal; Lüdeke, Matthias K. B.; Reusser, Dominik E.; Kropp, Jürgen P.

2013-04-01

"Think global, act local" is a phrase often used in sustainability debates. Here, we explore the potential of regions to go for local supply in context of sustainable food consumption considering both the present state and the plausible future scenarios. We analyze data on the gridded crop calories production, the gridded livestock calories production, the gridded feed calories use and the gridded food calories consumption in 5' resolution. We derived these gridded data from various sources: Global Agro-ecological Zone (GAEZ v3.0), Gridded Livestock of the World (GLW), FAOSTAT, and Global Rural-Urban Mapping Project (GRUMP). For scenarios analysis, we considered changes in population, dietary patterns and possibility of obtaining the maximum potential yield. We investigate the food self-sufficiency multiple spatial scales. We start from the 5' resolution (i.e. around 10 km x 10 km in the equator) and look at 8 levels of aggregation ranging from the plausible lowest administrative level to the continental level. Results for the different spatial scales show that about 1.9 billion people live in the area of 5' resolution where enough calories can be produced to sustain their food consumption and the feed used. On the country level, about 4.4 billion population can be sustained without international food trade. For about 1 billion population from Asia and Africa, there is a need for cross-continental food trade. However, if we were able to achieve the maximum potential crop yield, about 2.6 billion population can be sustained within their living area of 5' resolution. Furthermore, Africa and Asia could be food self-sufficient by achieving their maximum potential crop yield and only round 630 million populations would be dependent on the international food trade. However, the food self-sufficiency status might differ under consideration of the future change in population, dietary patterns and climatic conditions. We provide an initial approach for investigating the

Chemoselective O-acylation of hydroxyamino acids and amino alcohols under acidic reaction conditions: History, scope and applications

Directory of Open Access Journals (Sweden)

Tor E. Kristensen

2015-04-01

Full Text Available Amino acids, whether natural, semisynthetic or synthetic, are among the most important and useful chiral building blocks available for organic chemical synthesis. In principle, they can function as inexpensive, chiral and densely functionalized starting materials. On the other hand, the use of amino acid starting materials routinely necessitates protective group chemistry, and in reality, large-scale preparations of even the simplest side-chain derivatives of many amino acids often become annoyingly strenuous due to the necessity of employing protecting groups, on one or more of the amino acid functionalities, during the synthetic sequence. However, in the case of hydroxyamino acids such as hydroxyproline, serine, threonine, tyrosine and 3,4-dihydroxyphenylalanine (DOPA, many O-acyl side-chain derivatives are directly accessible via a particularly expedient and scalable method not commonly applied until recently. Direct acylation of unprotected hydroxyamino acids with acyl halides or carboxylic anhydrides under appropriately acidic reaction conditions renders possible chemoselective O-acylation, furnishing the corresponding side-chain esters directly, on multigram-scale, in a single step, and without chromatographic purification. Assuming a certain degree of stability under acidic reaction conditions, the method is also applicable for a number of related compounds, such as various amino alcohols and the thiol-functional amino acid cysteine. While the basic methodology underlying this approach has been known for decades, it has evolved through recent developments connected to amino acid-derived chiral organocatalysts to become a more widely recognized procedure for large-scale preparation of many useful side-chain derivatives of hydroxyamino acids and related compounds. Such derivatives are useful in peptide chemistry and drug development, as amino acid amphiphiles for asymmetric catalysis, and as amino acid acrylic precursors for preparation of

Chemoselective O-acylation of hydroxyamino acids and amino alcohols under acidic reaction conditions: History, scope and applications

Science.gov (United States)

2015-01-01

Summary Amino acids, whether natural, semisynthetic or synthetic, are among the most important and useful chiral building blocks available for organic chemical synthesis. In principle, they can function as inexpensive, chiral and densely functionalized starting materials. On the other hand, the use of amino acid starting materials routinely necessitates protective group chemistry, and in reality, large-scale preparations of even the simplest side-chain derivatives of many amino acids often become annoyingly strenuous due to the necessity of employing protecting groups, on one or more of the amino acid functionalities, during the synthetic sequence. However, in the case of hydroxyamino acids such as hydroxyproline, serine, threonine, tyrosine and 3,4-dihydroxyphenylalanine (DOPA), many O-acyl side-chain derivatives are directly accessible via a particularly expedient and scalable method not commonly applied until recently. Direct acylation of unprotected hydroxyamino acids with acyl halides or carboxylic anhydrides under appropriately acidic reaction conditions renders possible chemoselective O-acylation, furnishing the corresponding side-chain esters directly, on multigram-scale, in a single step, and without chromatographic purification. Assuming a certain degree of stability under acidic reaction conditions, the method is also applicable for a number of related compounds, such as various amino alcohols and the thiol-functional amino acid cysteine. While the basic methodology underlying this approach has been known for decades, it has evolved through recent developments connected to amino acid-derived chiral organocatalysts to become a more widely recognized procedure for large-scale preparation of many useful side-chain derivatives of hydroxyamino acids and related compounds. Such derivatives are useful in peptide chemistry and drug development, as amino acid amphiphiles for asymmetric catalysis, and as amino acid acrylic precursors for preparation of

Quantification is Neither Necessary Nor Sufficient for Measurement

International Nuclear Information System (INIS)

Mari, Luca; Maul, Andrew; Torres Irribarra, David; Wilson, Mark

2013-01-01

Being an infrastructural, widespread activity, measurement is laden with stereotypes. Some of these concern the role of measurement in the relation between quality and quantity. In particular, it is sometimes argued or assumed that quantification is necessary for measurement; it is also sometimes argued or assumed that quantification is sufficient for or synonymous with measurement. To assess the validity of these positions the concepts of measurement and quantitative evaluation should be independently defined and their relationship analyzed. We contend that the defining characteristic of measurement should be the structure of the process, not a feature of its results. Under this perspective, quantitative evaluation is neither sufficient nor necessary for measurement

The level of energy sufficiency - why all the controversy?

International Nuclear Information System (INIS)

Maillard, D.

2000-01-01

It as become fashionable in certain circles to attempt to demolish the notion of energy sufficiency, a concept which is now seen as being archaic and unsuitable. To back up their claims, proponents of this standpoint take great pleasure in attacking the corresponding indicator - the rate of energy sufficiency calculated as a ratio of national primary energy production and the total consumption of primary energy (in the same unit and without climatic corrections). Confirming its precarious, conventional and debatable nature seems in their eyes to be the best means of ensuring that both the word, the concept and the measuring method of energy sufficiency are consigned to the dustbin of economic history. After having examined with perhaps a certain irony some of the usual criticisms, I intend to proceed with a re-examination of questions which in my eyes appear to be essential. (author)

Mathematical Modeling and Dynamic Simulation of Metabolic Reaction Systems Using Metabolome Time Series Data

Directory of Open Access Journals (Sweden)

Kansuporn eSriyudthsak

2016-05-01

Full Text Available The high-throughput acquisition of metabolome data is greatly anticipated for the complete understanding of cellular metabolism in living organisms. A variety of analytical technologies have been developed to acquire large-scale metabolic profiles under different biological or environmental conditions. Time series data are useful for predicting the most likely metabolic pathways because they provide important information regarding the accumulation of metabolites, which implies causal relationships in the metabolic reaction network. Considerable effort has been undertaken to utilize these data for constructing a mathematical model merging system properties and quantitatively characterizing a whole metabolic system in toto. However, there are technical difficulties between benchmarking the provision and utilization of data. Although hundreds of metabolites can be measured, which provide information on the metabolic reaction system, simultaneous measurement of thousands of metabolites is still challenging. In addition, it is nontrivial to logically predict the dynamic behaviors of unmeasurable metabolite concentrations without sufficient information on the metabolic reaction network. Yet, consolidating the advantages of advancements in both metabolomics and mathematical modeling remain to be accomplished. This review outlines the conceptual basis of and recent advances in technologies in both the research fields. It also highlights the potential for constructing a large-scale mathematical model by estimating model parameters from time series metabolome data in order to comprehensively understand metabolism at the systems level.

Mathematical Modeling and Dynamic Simulation of Metabolic Reaction Systems Using Metabolome Time Series Data.

Science.gov (United States)

Sriyudthsak, Kansuporn; Shiraishi, Fumihide; Hirai, Masami Yokota

2016-01-01

The high-throughput acquisition of metabolome data is greatly anticipated for the complete understanding of cellular metabolism in living organisms. A variety of analytical technologies have been developed to acquire large-scale metabolic profiles under different biological or environmental conditions. Time series data are useful for predicting the most likely metabolic pathways because they provide important information regarding the accumulation of metabolites, which implies causal relationships in the metabolic reaction network. Considerable effort has been undertaken to utilize these data for constructing a mathematical model merging system properties and quantitatively characterizing a whole metabolic system in toto. However, there are technical difficulties between benchmarking the provision and utilization of data. Although, hundreds of metabolites can be measured, which provide information on the metabolic reaction system, simultaneous measurement of thousands of metabolites is still challenging. In addition, it is nontrivial to logically predict the dynamic behaviors of unmeasurable metabolite concentrations without sufficient information on the metabolic reaction network. Yet, consolidating the advantages of advancements in both metabolomics and mathematical modeling remain to be accomplished. This review outlines the conceptual basis of and recent advances in technologies in both the research fields. It also highlights the potential for constructing a large-scale mathematical model by estimating model parameters from time series metabolome data in order to comprehensively understand metabolism at the systems level.

Investigating the combined effects of heat and lighting on students reaction time in laboratory condition

Directory of Open Access Journals (Sweden)

Zohre Mohebian

2016-12-01

Full Text Available Introduction: In many workplaces there is exposure to heat and light simultaneously. This study investigated the combined effect of heat and lighting on some cognitive performance, i.e. reaction time. Methodology: the present semi-experimental study was conducted 2015 on 33 healthy students (16 girls and 17 boys with a mean age of 22.1 in the thermal stress chamber. The reaction time parameter by the reaction time measurement device, after exposure to different heat surfaces (dry temperatures 22 °C and 37 °C and lighting surfaces (200, 500 and 1500 lux. Data were analyzed using ANOVA test in SPSS-20. Results: The results showed that the average simple, diagnostic, two-color selective, two-sound selective reaction times and reaction time error increased after combined exposure to heat and lighting and showed a significant difference (P<0.05. The maximum score of reaction time belong to temperature of 37 c° and lighting of 1500 lux, the minimum score of reaction time belong to temperature of 22 °c and lighting of 1500 lux.

Reaction of genotypes of lulo (Solanum quitoense Lam. to Meloidogyne spp. under field conditions

Directory of Open Access Journals (Sweden)

Claudia Salazar-González

2017-05-01

Full Text Available In Colombia, root-knot nematodes Meloidog yne spp. are considered as one of the main constraints in lulo crop production . These nematodes can cause root damage resulting in low production. The aim of this study was to evaluate under field conditions the reaction of 16 genotypes of lulo, Solanum quitoense Lam. (Solanaceae, of the Castilla variety and the species S. hirtum Vahl., previously selected in a greenhouse experiment and categorized as moderately resistant and resistant to the attack by Meloidog yne sp. A chemical treatment and a control treatment, the latter based on the most susceptible genotype in greenhouse experiments were also included. The experiment was conducted in a lulo grove naturally infested with root-knot nematodes under a randomized complete block design with three replications and nine plants per experimental unit. The response variables were incidence, severity and yield. The incidence was higher than 80 % in all cases, but the severity varied because of their genetic condition; BR03 and BR01 being genotypes with lower rates of severity, with values of 1.0 % and 0.8 %, respectively. The yield analysis of variance showed significant differences, indicating that genotypes SQBR01 and SQLF04, reached the highest values with 4.77 and 4.74 t/ha in a total of three harvests.

Adaptive locomotor training on an end-effector gait robot: evaluation of the ground reaction forces in different training conditions.

Science.gov (United States)

Tomelleri, Christopher; Waldner, Andreas; Werner, Cordula; Hesse, Stefan

2011-01-01

The main goal of robotic gait rehabilitation is the restoration of independent gait. To achieve this goal different and specific patterns have to be practiced intensively in order to stimulate the learning process of the central nervous system. The gait robot G-EO Systems was designed to allow the repetitive practice of floor walking, stair climbing and stair descending. A novel control strategy allows training in adaptive mode. The force interactions between the foot and the ground were analyzed on 8 healthy volunteers in three different conditions: real floor walking on a treadmill, floor walking on the gait robot in passive mode, floor walking on the gait robot in adaptive mode. The ground reaction forces were measured by a Computer Dyno Graphy (CDG) analysis system. The results show different intensities of the ground reaction force across all of the three conditions. The intensities of force interactions during the adaptive training mode are comparable to the real walking on the treadmill. Slight deviations still occur in regard to the timing pattern of the forces. The adaptive control strategy comes closer to the physiological swing phase than the passive mode and seems to be a promising option for the treatment of gait disorders. Clinical trials will validate the efficacy of this new option in locomotor therapy on the patients. © 2011 IEEE

Effects of reaction conditions on the emission behaviors of arsenic, cadmium and lead during sewage sludge pyrolysis.

Science.gov (United States)

Han, Hengda; Hu, Song; Syed-Hassan, Syed Shatir A; Xiao, Yiming; Wang, Yi; Xu, Jun; Jiang, Long; Su, Sheng; Xiang, Jun

2017-07-01

Sewage sludge is an important class of bioresources whose energy content could be exploited using pyrolysis technology. However, some harmful trace elements in sewage sludge can escape easily to the gas phase during pyrolysis, increasing the potential of carcinogenic material emissions to the atmosphere. This study investigates emission characteristics of arsenic, cadmium and lead under different pyrolysis conditions for three different sewage sludge samples. The increased temperature (within 723-1123K) significantly promoted the cadmium and lead emissions, but its influence on arsenic emission was not pronounced. The releasing rate order of the three trace elements is volatile arsenic compounds>cadmium>lead in the beginning of pyrolysis. Fast heating rates promoted the emission of trace elements for the sludge containing the highest amount of ash, but exhibited an opposite effect for other studied samples. Overall, the high ash sludge released the least trace elements almost under all reaction conditions. Copyright © 2017 Elsevier Ltd. All rights reserved.

Scandium(III) catalysis of transimination reactions. Independent and constitutionally coupled reversible processes.

Science.gov (United States)

Giuseppone, Nicolas; Schmitt, Jean-Louis; Schwartz, Evan; Lehn, Jean-Marie

2005-04-20

Sc(OTf)(3) efficiently catalyzes the self-sufficient transimination reaction between various types of C=N bonds in organic solvents, with turnover frequencies up to 3600 h(-)(1) and rate accelerations up to 6 x 10(5). The mechanism of the crossover reaction in mixtures of amines and imines is studied, comparing parallel individual reactions with coupled equilibria. The intrinsic kinetic parameters for isolated reactions cannot simply be added up when several components are mixed, and the behavior of the system agrees with the presence of a unique mediator that constitutes the core of a network of competing reactions. In mixed systems, every single amine or imine competes for the same central hub, in accordance with their binding affinity for the catalyst metal ion center. More generally, the study extends the basic principles of constitutional dynamic chemistry to interconnected chemical transformations and provides a step toward dynamic systems of increasing complexity.

Encouraging conceptual change: the use of bridging analogies in the teaching of action reaction forces and the `at rest' condition in physics

Science.gov (United States)

Bryce, Tom; MacMillan, Kenneth

2005-06-01

The qualitative study described in this paper examined the effectiveness of bridging analogies intended to bring about conceptual change as part of a constructivist approach to teaching about action reaction forces in the ‘at rest’ condition in physics. Twenty-one 15-year-old students were involved in the investigation with subgroups previously exposed to different information regarding forces, weight and the accepted cause of the reaction force, in simple physical arrangements, including objects on tables. In-depth ‘think aloud’ interviews were used to track each student’s conceptual status as they worked with bridging analogies and transcript coding was carried out using open and axial coding (as in a grounded theory methodology). The findings showed that the bridging analogies were effective in engaging students with the idea of action reaction forces; students were adept in mapping each of the analogies to the target concept and using them to generate and refine their causal theories for the reaction force. There was evidence to suggest that, for some students, bridging analogies were more effective in bringing about conceptual change than didactic teaching. Their use extends beyond illustrative purposes and supports the development of meta-cognitive skills.

The Army Ethic-Inchoate but Sufficient

Science.gov (United States)

2015-06-12

are constraints imposed by this thesis. Delimitations include the scope, jus ad bellum, cultural relativism , descriptive ethics , and implementation...politicians. Third, this thesis will not look in depth at cultural relativism and how changes in laws and society’s philosophical and ethical ...THE ARMY ETHIC –INCHOATE BUT SUFFICIENT A thesis presented to the Faculty of the U.S. Army Command and General Staff College

Evolutionary change in continuous reaction norms

DEFF Research Database (Denmark)

Murren, Courtney J; Maclean, Heidi J; Diamond, Sarah E

2014-01-01

Understanding the evolution of reaction norms remains a major challenge in ecology and evolution. Investigating evolutionary divergence in reaction norm shapes between populations and closely related species is one approach to providing insights. Here we use a meta-analytic approach to compare...... divergence in reaction norms of closely related species or populations of animals and plants across types of traits and environments. We quantified mean-standardized differences in overall trait means (Offset) and reaction norm shape (including both Slope and Curvature). These analyses revealed...... contributed to the best-fitting models, especially for Offset, Curvature, and the total differences (Total) between reaction norms. Congeneric species had greater differences in reaction norms than populations, and novel environmental conditions increased the differences in reaction norms between populations...

The Relationship between Organizational Support Perceptions and Self-Sufficiencies of Logistics Sector Employees

Directory of Open Access Journals (Sweden)

Sefer Gumus

2016-01-01

Full Text Available This study was performed in order to examine the relationship between organizational support perceptions and self-sufficiency levels of logistics sector employees and to determine whether organizational support perceptions and self-sufficiency levels of employees differ according to some specification. The questionnaire form consisting of perceived organizational support scale in accordance with the purpose, general self-sufficiency scale and personal information form, was applied to 124 employees of 3 separate logistics firms operating in Istanbul. The data obtained from the questionnaire were analyzed using SPSS17.0 statistical software package on computer. In the assessment of data, descriptive characteristics of employees were determined by frequency and percentage statistics and the self-sufficiency and perceived organizational support levels by the mean and standard deviation statistics. The t test, Tukey test and one-way Anova tests were utilized in determining employees' self-sufficiency and perceived organizational support levels differentiation according to descriptive characteristics, and correlation analysis was utilized in determining the relationship between self-sufficiency and perceived organizational support levels of employees. In conclusion, it was determined that there was statistical relationship between organizational support and self-sufficiency levels perceived by logistics sector employees. Accordingly, when employees' perceived organizational support levels increase then self-sufficiency levels also increase, and when perceived organizational support levels decrease then self-sufficiency levels also decrease.

Co-solvents transesterification of cotton seed oil into biodiesel: Effects of reaction conditions on quality of fatty acids methyl esters

International Nuclear Information System (INIS)

Alhassan, Y.; Kumar, N.; Bugaje, I.M.; Pali, H.S.; Kathkar, P.

2014-01-01

Highlights: • Using co-solvent systems reduce reaction time by 60%. • Only small volume of co-solvent is required to improve the process. • Greater than 90% yields were obtained within the first 10 min. • Physico-chemical and fuel properties of FAMEs were within standard limits. • Acetone was found to be the best co-solvent for the transesterification. - Abstract: Solvent Technology, is gaining the interest of researchers in improving transesterification process recently. Transesterification of cotton seed oil into biodiesel using different mixtures of methanol with Diethyl Ether (DEE), Dichlorobenzene (CBN) or Acetone (ACT) co-solvent systems was conducted. Potassium hydroxide (KOH) was used as the catalyst all through. The reaction conditions optimized include; the molar ratio of co-solvent in methanol, reaction temperature and time. The catalyst concentration was also optimized. The optimization was based on the percentage yields of Fatty Acids Methyl Esters (FAMEs) produced. In addition, the effects of co-solvent systems on physico-chemical properties (Acid value and fatty acids composition) and fuel properties (viscosity, density and calorific value) were investigated as well. The result obtained, indicated 10% (v/v) addition of co-solvents CBN and ACT in methanol was the optimal volume. The optimal reaction temperature was 55 ° 0 C for 10 min when the catalyst concentration of 0.75% (w/w) weight of oil was used. Fuel properties were within the acceptable limit of ASTM and not significantly affected by the co-solvent systems except for the calorific value. It was concluded that the addition of co-solvent reduced the reaction time and improved some fuel properties of the biodiesel produced

Chemical memory reactions induced bursting dynamics in gene expression.

Science.gov (United States)

Tian, Tianhai

2013-01-01

Memory is a ubiquitous phenomenon in biological systems in which the present system state is not entirely determined by the current conditions but also depends on the time evolutionary path of the system. Specifically, many memorial phenomena are characterized by chemical memory reactions that may fire under particular system conditions. These conditional chemical reactions contradict to the extant stochastic approaches for modeling chemical kinetics and have increasingly posed significant challenges to mathematical modeling and computer simulation. To tackle the challenge, I proposed a novel theory consisting of the memory chemical master equations and memory stochastic simulation algorithm. A stochastic model for single-gene expression was proposed to illustrate the key function of memory reactions in inducing bursting dynamics of gene expression that has been observed in experiments recently. The importance of memory reactions has been further validated by the stochastic model of the p53-MDM2 core module. Simulations showed that memory reactions is a major mechanism for realizing both sustained oscillations of p53 protein numbers in single cells and damped oscillations over a population of cells. These successful applications of the memory modeling framework suggested that this innovative theory is an effective and powerful tool to study memory process and conditional chemical reactions in a wide range of complex biological systems.

Self-heating of dried industrial wastewater sludge: lab-scale investigation of supporting conditions.

Science.gov (United States)

Della Zassa, M; Biasin, A; Zerlottin, M; Refosco, D; Canu, P

2013-06-01

We studied the reactivity of dried sludge produced by treatment of wastewater, mainly from tanneries. The solids transformations have been first characterized with thermal analysis (TGA and DSC) proving that exothermic transformation takes place at fairly low temperature, before the total organic combustion that occurs in air above 400°C. The onset of low temperature reactions depends on the heating rate and it can be below 100°C at very small heating rate. Then, we reproducibly determined the conditions to trigger dried sludge self-heating at the laboratory scale, on samples in the 0.2-0.3 kg size. Thermal insulation, some aeration and addition of water are key factors. Mastering the self-heating at this scale allows more detailed investigations as well as manipulation of conditions, to understand its nature, course and remediation. Here we report proves and discussions on the role of air, water, particle size, porosity and biological activity, as well as proving that also dried sludge from similar sources lead to self-heating. Tests demonstrate that air and water are simultaneously required for significant self-heating to occur. They act in diverging directions, both triggering the onset of the reactions and damping the temperature rise, by supporting heat loss. The higher the O2 concentration, the higher the solids heating rate. More added water prolongs the exothermic phase. Further additions of water can reactivate the material. Water emphasizes the exothermic processes, but it is not sufficient to start it in an air-free atmosphere. The initial solid moisture concentration (between 8% and 15%) affects the onset of self-heating as intuitive. The sludge particles size strongly determines the strength and extent of the heat release, indicating that surface reactions are taking place. In pelletized particles, limitations to water and air permeability mitigates the reaction course. Copyright © 2013 Elsevier Ltd. All rights reserved.

Hydrazones as substrates for cycloaddition reactions

International Nuclear Information System (INIS)

Belskaya, N P; Eliseeva, A I; Bakulev, V A

2015-01-01

The [2+2]-, [4+2]- and [3+2]-cycloaddition reactions of hydrazones and 1,2-diazabuta-1,3-dienes, azomethine imines, nitrile imines and azomethine ylides formed upon hydrazone transformations with dienophiles, dipolarophiles and dienes are considered. The principal issues of structure and reactivity of active substrates and the influence of the reaction conditions and catalysts on the reaction regioselectivity and efficiency are discussed. The bibliography includes 288 references

Catalytic Organometallic Reactions of Ammonia

Science.gov (United States)

Klinkenberg, Jessica L.

2012-01-01

Until recently, ammonia had rarely succumbed to catalytic transformations with homogeneous catalysts, and the development of such reactions that are selective for the formation of single products under mild conditions has encountered numerous challenges. However, recently developed catalysts have allowed several classes of reactions to create products with nitrogen-containing functional groups from ammonia. These reactions include hydroaminomethylation, reductive amination, alkylation, allylic substitution, hydroamination, and cross-coupling. This Minireview describes examples of these processes and the factors that control catalyst activity and selectivity. PMID:20857466

Direct processes in heavy ion reactions

International Nuclear Information System (INIS)

Bunakov, V.E.; Zagrebaev, V.I.

1983-01-01

Direct processes in heavy ion reactions are investigated. Relative theoretical contributions in the inclusive spectrum of α particles on processes of stripping breakup and inelastic breakup are estimated using the 22 Ne+ 181 Ta reaction as an example. The consideration is performed taking into account Coulomb and nuclear distortions in the inlet and outlet ion channels. It is shown that the hard edge of α spectrum and its maximum are well described by peripheral direct processes. The hard spectrum edge is conditioned by the pure process of ''incomplete fussion'' bringing about the production af a compound nucleus. The main part of inclusive spectrum is conditioned by reactions of inelastic and elastic breakup not connected with the production of a compound nucleus

Reaction chemistry in rechargeable Li-O2 batteries.

Science.gov (United States)

Lim, Hee-Dae; Lee, Byungju; Bae, Youngjoon; Park, Hyeokjun; Ko, Youngmin; Kim, Haegyeom; Kim, Jinsoo; Kang, Kisuk

2017-05-22

The seemingly simple reaction of Li-O 2 batteries involving lithium and oxygen makes this chemistry attractive for high-energy-density storage systems; however, achieving this reaction in practical rechargeable Li-O 2 batteries has proven difficult. The reaction paths leading to the final Li 2 O 2 discharge products can be greatly affected by the operating conditions or environment, which often results in major side reactions. Recent research findings have begun to reveal how the reaction paths may be affected by the surrounding conditions and to uncover the factors contributing to the difficulty in achieving the reactions of lithium and oxygen. This progress report describes the current state of understanding of the electrode reaction mechanisms in Li-O 2 batteries; the factors that affect reaction pathways; and the effect of cell components such as solvents, salts, additives, and catalysts on the discharge product and its decomposition during charging. This comprehensive review of the recent progress in understanding the reaction chemistry of the Li-O 2 system will serve as guidelines for future research and aid in the development of reliable high-energy-density rechargeable Li-O 2 batteries.

Method for calculating the characteristics of nuclear reactions with composite particle

International Nuclear Information System (INIS)

Zelenskaya, N.S.

1978-01-01

The purpose of the lectures is to attempt to give a brief review of the present status of the theory of nuclear reactions involving composite particles (heavy ions, 6 Li, 7 Li, and 9 Be ions, α-particles). In order to analyze such reactions, one should employ and ''exact'' method of distorted waves with a finite radius of interaction. Since the zero radius approximation is valid only at low momentum transfer, its rejection immediately includes all possible transferred momenta and consequently, the reaction mechanisms different from the usual cluster stripping we shall discuss a sufficiently general formalism of the distorted waves method, which does not use additional assumptions about the smaliness of the region of interaction between particles and about the possible reaction mechanisms. We shall also discuss all physical simplifications introduced in specific particular codes and the ranges of their applicability will be established. (author)

Hydrogen generation from formic acid catalyzed by a metal complex under amine-free and aqueous conditions

KAUST Repository

Huang, Kuo-Wei

2018-01-04

The present invention provides a class of catalyst compounds that can safely and effectively release hydrogen gas from a chemical substrate without producing either noxious byproducts or byproducts that will deactivate the catalyst. The present invention provides catalysts used to produce hydrogen that has a satisfactory and sufficient lifespan (measured by turnover number (TON)), that has stability in the presence of moisture, air, acid, or impurities, promote a rapid reaction rate, and remain stable under the reaction conditions required for an effective hydrogen production system. Described herein are compounds for use as catalysts, as well as methods for producing hydrogen from formic acid and/or a formate using the disclosed catalysts. The methods include contacting formic acid and/or a formate with a catalyst as described herein, as well as methods of producing formic acid and/or a formate using the disclosed catalyst and methods for generating electricity using the catalysts described herein.

On the necessity and sufficiency of local commutativity for causality in quantum mechanics

International Nuclear Information System (INIS)

Muynck, W.M. de.

1984-01-01

This thesis contributes to the resolution of the question whether quantum mechanics admits an objectivistic interpretation if the description is restricted to the phenomenalistic domain of the quantum mechanical observables. Without touching the realism-phenomenalism dichotomy, this thesis investigates the possibility to disregard the influence of the measurement interaction on the qm measuring results. In the first part, the measuring process is studied and its influence on the objectivity of measuring results. The measurement of a local observable is interpreted as a local operation. Its local commutativity is a necessary condition for macrocausality. In the second part the converse question is studied, viz. Whether local commutativity is sufficient for macrocausality. (Auth.)

Connecting localized DNA strand displacement reactions

Science.gov (United States)

Mullor Ruiz, Ismael; Arbona, Jean-Michel; Lad, Amitkumar; Mendoza, Oscar; Aimé, Jean-Pierre; Elezgaray, Juan

2015-07-01

Logic circuits based on DNA strand displacement reactions have been shown to be versatile enough to compute the square root of four-bit numbers. The implementation of these circuits as a set of bulk reactions faces difficulties which include leaky reactions and intrinsically slow, diffusion-limited reaction rates. In this paper, we consider simple examples of these circuits when they are attached to platforms (DNA origamis). As expected, constraining distances between DNA strands leads to faster reaction rates. However, it also induces side-effects that are not detectable in the solution-phase version of this circuitry. Appropriate design of the system, including protection and asymmetry between input and fuel strands, leads to a reproducible behaviour, at least one order of magnitude faster than the one observed under bulk conditions.Logic circuits based on DNA strand displacement reactions have been shown to be versatile enough to compute the square root of four-bit numbers. The implementation of these circuits as a set of bulk reactions faces difficulties which include leaky reactions and intrinsically slow, diffusion-limited reaction rates. In this paper, we consider simple examples of these circuits when they are attached to platforms (DNA origamis). As expected, constraining distances between DNA strands leads to faster reaction rates. However, it also induces side-effects that are not detectable in the solution-phase version of this circuitry. Appropriate design of the system, including protection and asymmetry between input and fuel strands, leads to a reproducible behaviour, at least one order of magnitude faster than the one observed under bulk conditions. Electronic supplementary information (ESI) available. See DOI: 10.1039/C5NR02434J

Fundamental Researches on the High-speed and High-efficiency Steelmaking Reaction

Science.gov (United States)

Kitamura, Shin-ya; Shibata, Hiroyuki; Maruoka, Nobuhiro

2012-06-01

Traditionally, steelmaking reactions have been analyzed by thermodynamics. Recently, software packages that can be used to calculate the equilibrium conditions have improved greatly. In some cases, information obtained in this software is useful for analyzing the steelmaking reaction. On the other hand, in industrial operation, steelmaking reactions, i.e., decarburization, dephosphorization, desulfurization or nitrogen removal, do not reach the equilibrium condition. Therefore, the kinetic model is very important for gaining a theoretical understanding of the steelmaking reaction. In this paper, the following recent research activities were shown; 1) mass transfer of impurities between solid oxide and liquid slag, 2) simulation model of hot metal dephosphorization by multiphase slag, 3) evaluation of reaction rate at bath surface in gas-liquid reaction system and 4) condition for forming of metal emulsion by bottom bubbling.

Optimization of reaction conditions for enzymatic viscosity reduction and hydrolysis of wheat arabinoxylan in an industrial ethanol fermentation residue

DEFF Research Database (Denmark)

Sørensen, H.R.; Pedersen, S.; Meyer, Anne Boye Strunge

2006-01-01

with a 50:50 mixture of an enzyme preparation from Humicola insolens, Ultraflo L, and a cellulolytic enzyme preparation from Trichoderma reesei, Celluclast 1.5 L. This enzyme mixture was previously shown to exhibit a synergistic action on arabinoxylan degradation. The viscosity of vinasse decreased...... of enzyme-catalyzed hydrolysis of arabinoxylan, beta-glucan, and cellulose. In designed response surface experiments, the optimal enzyme reaction conditions with respect to pH and temperature of the vinasse, the vinasse supernatant (mainly soluble material), and the vinasse sediment (mainly insoluble...

Investigation of Na-CO{sub 2} Reaction with Initial Reaction in Various Reacting Surface

Energy Technology Data Exchange (ETDEWEB)

Kim, Hyun Su; Park, Gunyeop; Kim, Soo Jae; Park, Hyun Sun; Kim, Moo Hwan [POSTECH, Pohang (Korea, Republic of); Wi, Myung-Hwan [KAERI, Daejeon (Korea, Republic of)

2015-10-15

The reaction products that cause oxidation and erosion are threaten the heat transfer tubes so that it is necessary to investigate Na-CO{sub 2} reaction according to various experimental parameter. Unlike SWR, Na-CO{sub 2} reaction is more complex to deal with reaction kinetics. Since a comprehensive understanding of Na-CO{sub 2} reaction mechanism is crucial for the safety analysis, the reaction phenomenon under the various conditions was investigated. The current issue is to make a database for developing computational code for CO{sub 2} gas leak situation because it is experimentally difficult to analyze the actual accident situation. Most studies on Na-CO{sub 2} interaction reports that chemical reaction is getting vigorous as temperature increased and reactivity is sensitive as temperature change between 400 .deg. C and 600 .deg. C. Therefore, temperature range is determined based on the operating condition (450 - 500 .deg. C) of KALIMER-600 employed as supercritical CO{sub 2} brayton cycle energy conversion system for Na-CO{sub 2} heat exchanger. And next parameter is sodium surface area which contact between sodium and CO{sub 2} when CO{sub 2} is injected into sodium pool in the accident situation. So, the fundamental surface reaction is experimentally studied in the range of 8 - 12cm{sup 2}. Additionally, it has been reported in recent years that CO{sub 2} Flow rate affects reactivity less significantly and CO{sub 2} flow rate is assumed that 5 SLPM (standard liter per minute) is suitable as a basis for a small leakage. The finally selected control parameters is sodium temperature and reacting surface area with constant CO{sub 2} flow rate. Na-CO{sub 2} reaction test is performed for investigating risk of potential accident which contacts with liquid sodium and CO{sub 2}. Amount of reaction is saturated as time passed because of kept a balance between production of solid phase reaction products and amount of diffusivity. These results contribute to make a

The dynamic simulation model of soybean in Central Java to support food self sufficiency: A supply chain perspective

Science.gov (United States)

Oktyajati, Nancy; Hisjam, Muh.; Sutopo, Wahyudi

2018-02-01

Consider food become one of the basic human needs in order to survive so food sufficiency become very important. Food sufficiency of soybean commodity in Central Java still depends on imported soybean. Insufficiency of soybean because of there is much gap between local soybean productions and its demand. In the year 2016 the shortage of supply soybean commodity as much 68.79%. Soybean is an important and strategic commodity after rice and corn. The increasing consumption of soybean is related to increasing population, increasing incomes, changing of healthy life style. The aims of this study are to determine the soybean dynamic model based on supply chain perspective, define the proper price of local soybean to trigger increasing of local production, and to define the alternative solution to support food self sufficiency. This study will capture the real condition into dynamics model, then simulate a series of scenario into a computer program to obtain the best results. This study will be conducted the following first scenario with government intervention policy and second without government intervention policy. The best solution of the alternative can be used as government consideration for governmental policy. The results of the propose scenarios showed that self sufficiency on soybean can be achieved after the next 20 years by increasing planting area 4% and land productivity 1% per year.

Rapid thermal conditioning of sewage sludge

Science.gov (United States)

Zheng, Jianhong

Rapid thermal conditioning (RTC) is a developing technology recently applied to sewage sludge treatment. Sludge is heated rapidly to a reaction temperature (up to about 220sp°C) under sufficient pressure to maintain the liquid phase. Reaction is quenched after 10 to 30 seconds when the mixture of sludge and steam pass through a pressure let-down valve. This process reduces the amount of sludge requiring land disposal, eliminates the need for polymer coagulant, improves dewaterability, increases methane production, and further reduces the concentration of pathogens. The odor problem associated with traditional thermal conditioning processes is largely minimized. Ammonia removal is readily integrated with the process. For this research, a pilot unit was constructed capable of processing 90 liters of sludge per hour. Over 22 runs were made with this unit using sludge from New York City Water Pollution Control Plants (WPCP). Sludges processed in this equipment were tested to determine the effect of RTC operating conditions on sludge dewaterability, biodegradability, and other factors affecting the incorporation of RTC into wastewater treatment plants. Dewaterability of thermally conditioned sludge was assessed for cetrifugeability and filterability. Bench scale centrifugation was used for evaluating centrifugeability, pressure filtration and capillary suction time (CST) for filterability. A mathematical model developed for centrifuge dewatering was used to predict the effect of RTC on full scale centrifuge performance. Particle size distribution and solids density of raw and treated PDS were also analyzed. An observed increase in sludge solids density at least partially explains its improved centrifugeability. An investigation of thermally conditioned amino acids showed that the L-isomer is highly biodegradable while the D-isomers are generally less so. Glucose is highly biodegradable, but rapidly becomes refractory as thermal conditioning time is lengthened. This

Photo catalytic reduction of benzophenone on TiO2: Effect of preparation method and reaction conditions

International Nuclear Information System (INIS)

Albiter E, E.; Valenzuela Z, M. A.; Alfaro H, S.; Flores V, S. O.; Rios B, O.; Gonzalez A, V. J.; Cordova R, I.

2010-01-01

The photo catalytic reduction of benzophenone was studied focussing on improving the yield to benzhydrol. TiO 2 was synthesized by means of a hydrothermal technique. TiO 2 (Degussa TiO 2 -P25) was used as a reference. Catalysts were characterized by X-ray diffraction and nitrogen physisorption. The photo catalytic reduction was carried out in a batch reactor at 25 C under nitrogen atmosphere, acetonitrile as solvent and isopropanol as electron donor. A 200 W Xe-Hg lamp (λ= 360 nm) was employed as irradiation source. The chemical composition of the reaction system was determined by HPLC. Structural and textural properties of the synthesized TiO 2 depended on the type of acid used during sol formation step. Using HCl, a higher specific surface area and narrower pore size distribution of TiO 2 was obtained in comparison with acetic acid. As expected, the photochemical reduction of benzophenone yielded benzopinacol as main product, whereas, benzhydrol is only produced in presence of TiO 2 (i.e. photo catalytic route). In general, the hydrothermally synthesized catalysts were less active and with a lower yield to benzhydrol. The optimal reaction conditions to highest values of benzhydrol yield (70-80%) were found at 2 g/L (catalyst loading) and 0.5 m M of initial concentration of benzophenone, using commercial TiO 2 -P25. (Author)

Basic reactions induced by radiation

International Nuclear Information System (INIS)

Charlesby, A.

1980-01-01

This paper summarises some of the basic reactions resulting from exposure to high energy radiation. In the initial stages energy is absorbed, but not necessarily at random, giving radical and ion species which may then react to promote the final chemical change. However, it is possible to intervene at intermediate stages to modify or reduce the radiation effect. Under certain conditions enhanced reactions are also possible. Several expressions are given to calculate radiation yield in terms of energy absorbed. Some analogies between radiation-induced reactions in polymers, and those studied in radiobiology are outlined. (author)

Implementing necessary and sufficient standards for radioactive waste management at LLNL

International Nuclear Information System (INIS)

Sims, J.M.; Ladran, A.; Hoyt, D.

1995-01-01

Lawrence Livermore National Laboratory (LLNL) and the U.S. Department of Energy, Oakland Field Office (DOE/OAK), are participating in a pilot program to evaluate the process to develop necessary and sufficient sets of standards for contractor activities. This concept of contractor and DOE jointly and locally deciding on what constitutes the set of standards that are necessary and sufficient to perform work safely and in compliance with federal, state, and local regulations, grew out of DOE's Department Standards Committee (Criteria for the Department's Standards Program, August 1994, DOE/EH/-0416). We have chosen radioactive waste management activities as the pilot program at LLNL. This pilot includes low-level radioactive waste, transuranic (TRU) waste, and the radioactive component of low-level and TRU mixed wastes. Guidance for the development and implementation of the necessary and sufficient set of standards is provided in open-quotes The Department of Energy Closure Process for Necessary and Sufficient Sets of Standards,close quotes March 27, 1995 (draft)

Computed Potential Energy Surfaces and Minimum Energy Pathways for Chemical Reactions

Science.gov (United States)

Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

1994-01-01

Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. For some dynamics methods, global potential energy surfaces are required. In this case, it is necessary to obtain the energy at a complete sampling of all the possible arrangements of the nuclei, which are energetically accessible, and then a fitting function must be obtained to interpolate between the computed points. In other cases, characterization of the stationary points and the reaction pathway connecting them is sufficient. These properties may be readily obtained using analytical derivative methods. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives usefull results for a number of chemically important systems. The talk will focus on a number of applications including global potential energy surfaces, H + O2, H + N2, O(3p) + H2, and reaction pathways for complex reactions, including reactions leading to NO and soot formation in hydrocarbon combustion.

Relation between the 16O(α,γ)20Ne capture reaction and its reverse 20Ne(γ,α)16O photodisintegration reaction in stars and in the lab

International Nuclear Information System (INIS)

Mohr, P.; Angulo, C.; Descouvemont, P.

2005-01-01

The astrophysical reaction rates of the 16 O(α,γ) 20 Ne capture reaction and its reverse 20 Ne(γ,α) 16 O photodisintegration reaction are dominated by a few narrow resonances. Only at very low temperatures direct capture plays a significant role. Usually the reaction rate of photodisintegration reactions is calculated from the reaction rate of the corresponding capture reaction using the detailed balanced theorem. This is only valid for nuclei which are thermalized. The reaction rates of the 16 O(α,γ) 20 Ne capture reaction in the lab and under stellar conditions are identical. However, for the inverse 20 Ne(γ,α) 16 O photodisintegration reaction one finds a significant contribution of the thermally populated first excited state at E x = 1634 keV in 20 Ne. Consequently, the reaction rates of the 20 Ne(γ,α) 16 O photodisintegration reaction are different in the lab and under stellar conditions. It is shown that the detailed balance theorem remains valid for the reaction rates under stellar conditions. Photodisintegration rates in the lab have been measured recently using a quasi-thermal photon spectrum from bremsstrahlung, and a quasi-thermal photon spectrum with superior quality has been suggested using high-energy synchrotron radiation. (author)

The reaction between iodine and silver under severe PWR accident conditions. An experimental parameter study

Energy Technology Data Exchange (ETDEWEB)

Funke, F; Greger, G U; Bleier, A; Hellmann, S; Morell, W [Siemens AG, Power Generation Group, Erlangen (Germany)

1996-12-01

An extensive experimental parameter study was performed on the kinetics in the reaction system I{sub 2}/Ag and I{sup -}/Ag in a laboratory-scale apparatus.Starting with I{sub 2} or I{sup -} solutions and silver powder suspensions, the decrease of soluted I{sub 2} or I{sup -}, respectively, due to fixation on the silver particles, was monitored as function of time using the radioactive tracer I-131. The measured data were analyzed using a model of first order kinetics with respect to the iodine concentration. However, the analysis using first order kinetics had to be performed separately in an early, fast reaction phase and in a late, slow reaction phase. The reason for this unexpected behaviour was not identified. Thus, rate constant, two for each test, were deduced from 14 I{sub 2}/Ag main tests and from 36 I{sup -}/Ag tests. No dependencies of the rate constants were found on the parameters temperature, initial iodine concentration, presence of boric acid, type of silver educt, and pretreatment of the silver educt prior to the tests. However, the stirring of the reaction solution generally enhanced the kinetics highlighting the importance of mass transfer. The I{sup -}/Ag reaction proceeded only if there was no inertization of the reaction solution by sparging with nitrogen. The temperature-independent rate constant for the early, fast I{sub 2}/Ag reaction phase is 2E-5 m/s. However, a smaller rate constant of 6E-6 m/s is recommended for use in source term calculations with IMPAIR, which already contains a first order model. Analogously, the temperature-independent I{sup -}/Ag reaction rate constant is 8E-6 m/s in an early, fast reaction phase. For use in source term calculations, a smaller rate constant of 2E-6 m/s is recommended. The lower bound of the I{sup -}/Ag rate constant was 3E-8 m/s which could be used in very conservative source term calculations. (author) 20 figs., 6 tabs., 15 refs.

Fabrication of self-written waveguide in photosensitive polyimide resin by controlling photochemical reaction of photosensitizer

International Nuclear Information System (INIS)

Yamashita, K.; Kuro, T.; Oe, K.; Mune, K.; Tagawa, K.; Naitou, R.; Mochizuki, A.

2004-01-01

We have investigated optical properties of photosensitive polyimide appropriating for long self-written waveguide fabrication. From systematic measurements of absorption properties, it was found that photochemical reaction of photosensitizer dissolved in the photosensitive polyimide resins relates to transparency after the exposure, which limits the length of the fabricated self-written waveguide. By controlling the photochemical reaction, in which the photosensitive polyimide resin has sufficient transparency during exposure, four times longer self-written waveguide core was fabricated

Modeling of acetate-type fermentation of sugar-containing wastewater under acidic pH conditions.

Science.gov (United States)

Huang, Liang; Pan, Xin-Rong; Wang, Ya-Zhou; Li, Chen-Xuan; Chen, Chang-Bin; Zhao, Quan-Bao; Mu, Yang; Yu, Han-Qing; Li, Wen-Wei

2018-01-01

In this study, a kinetic model was developed based on Anaerobic Digestion Model No. 1 to provide insights into the directed production of acetate and methane from sugar-containing wastewater under low pH conditions. The model sufficiently described the dynamics of liquid-phase and gaseous products in an anaerobic membrane bioreactor by comprehensively considering the syntrophic bioconversion steps of sucrose hydrolysis, acidogenesis, acetogenesis and methanogenesis under acidic pH conditions. The modeling results revealed a significant pH-dependency of hydrogenotrophic methanogenesis and ethanol-producing processes that govern the sucrose fermentative pathway through changing the hydrogen yield. The reaction thermodynamics of such acetate-type fermentation were evaluated, and the implications for process optimization by adjusting the hydraulic retention time were discussed. This work sheds light on the acid-stimulated acetate-type fermentation process and may lay a foundation for optimization of resource-oriented processes for treatment of food wastewater. Copyright © 2017 Elsevier Ltd. All rights reserved.

Enhanced pycnonuclear reactions in ultrahigh-pressure metals

International Nuclear Information System (INIS)

Ichimaru, Setsuo; Kitamura, Hikaru

1995-01-01

By combining the concepts of pycnonuclear reactions at low temperatures and their enhancement due to strong internuclear Coulomb correlations, we predict the possibilities of a novel scheme for fusion in ultrahigh-pressure liquid-metallic hydrogen near the freezing conditions, for the reactions 2 H(p,γ) 3 He, 3 H(d,n) 4 He, and 7 Li(p,α) 4 He. Time evolution is followed for p-d reaction after a pulsed compression with 1 kJ input and the initial conditions of mass density ≅ 20 g/cm 3 , temperature ≅ 1400 K, pressure ≅ 490 Mbar, and radius ≅ 0.017 cm; an energy yield of 33 kJ in 0.03 fs is thus predicted. (author)

Kinetics and Mechanism of the Reaction of Hydoxyl Radicals with Acetonitrile under Atmospheric Conditions

Science.gov (United States)

Hynes, A. J.; Wine, P. H.

1997-01-01

The pulsed laser photolysis-pulsed laser induced fluorescence technique has been employed to determine absolute rate coefficients for the reaction OH + CH3CN (1) and its isotopic variants, OH + CD3CN (2), OD + CH3CN (3), and OD + CD3CN (4). Reactions 1 and 2 were studied as a function of pressure and temperature in N2, N2/O2, and He buffer gases. In the absence of O2 all four reactions displayed well-behaved kinetics with exponential OH decays and pseudo-first rate constants which were proportional to substrate concentration. Data obtained in N2 over the range 50-700 Torr at 298 K are consistent with k(sub 1), showing a small pressure dependence. The Arrhenius expression obtained by averaging data at all pressures in k(sub 1)(T) = (1.1(sup +0.5)/(sub -0.3)) x 10(exp -12) exp[(-1130 +/- 90)/T] cu cm /(molecule s). The kinetics of reaction 2 are found to be pressure dependent with k(sub 2) (298 K) increasing from (1.21 +/- 0.12) x 10(exp -14) to (2.16 +/- 0.11) x 10(exp -14) cm(exp 3)/ (molecule s) over the pressure range 50-700 Torr of N2 at 298 K. Data at pressures greater than 600 Torr give k(sub 2)(T) = (9.4((sup +13.4)(sub -5.0))) x 10(exp -13) exp[(-1180 +/- 250)/T] cu cm/(molecule s). The rates of reactions 3 and 4 are found to be independent of pressure over the range 50-700 Torr of N2 with 298 K rate coefficient given by k(sub 3) =(3.18 +/- 0.40) x 10(exp -14) cu cm/(molecule s) and k(sub 4) = (2.25 +/-0.28) x 10(exp -14) cu cm/(molecule s). In the presence of O2 each reaction shows complex (non-pseudo-first-order) kinetic behavior and/or an apparent decrease in the observed rate constant with increasing [O2], indicating the presence of significant OH or OD regeneration. Observation of regeneration of OH in (2) and OD in (3) is indicative of a reaction channel which proceeds via addition followed by reaction of the adduct, or one of its decomposition products, with O2. The observed OH and OD decay profiles have been modeled by using a simple mechanistic

Enhancing chemical synthesis using catalytic reactions under continuous flow conditions

OpenAIRE

Asadi, Mousa

2017-01-01

Many advantages have been demonstrated for continuous flow chemistry in comparison with batch chemistry; such as easy automation, high level of reproducibility, improved safety, and process reliability. Indeed, with continuous flow processes constant reaction parameters such as temperature, time, amount of reagents, catalyst, solvents, efficient mixing etc. can easily be assured. The research detailed in this PhD thesis takes advantages of flow chemistry applying it to the Fukuyama ...

Mathematical modelling of light-induced electric reaction of Cucurbita pepo L. leaves

Directory of Open Access Journals (Sweden)

Jan Stolarek

2014-01-01

Full Text Available The bioelectRIc reactions of 14-16 day old plants of pumpkin (Cucurbita pepo L. and internodal cells of Nitellopsis obtusa to the action of visible and ultraviolet light (UV-C were studied. The possibility of analyzing the bioelectric reaction of pumpkin plants induced by visible light by means of mathematical modelling using a linear differential equation of the second order was considered. The solution of this equation (positive and negative functions can, in a sufficient way, reflect the participation of H+ and CI- ions in the generation of the photoelectric response in green plant cells.

Non-invasive estimation of dissipation from non-equilibrium fluctuations in chemical reactions.

Science.gov (United States)

Muy, S; Kundu, A; Lacoste, D

2013-09-28

We show how to extract an estimate of the entropy production from a sufficiently long time series of stationary fluctuations of chemical reactions. This method, which is based on recent work on fluctuation theorems, is direct, non-invasive, does not require any knowledge about the underlying dynamics and is applicable even when only partial information is available. We apply it to simple stochastic models of chemical reactions involving a finite number of states, and for this case, we study how the estimate of dissipation is affected by the degree of coarse-graining present in the input data.

Dynamical Behaviors of Stochastic Reaction-Diffusion Cohen-Grossberg Neural Networks with Delays

Directory of Open Access Journals (Sweden)

Li Wan

2012-01-01

Full Text Available This paper investigates dynamical behaviors of stochastic Cohen-Grossberg neural network with delays and reaction diffusion. By employing Lyapunov method, Poincaré inequality and matrix technique, some sufficient criteria on ultimate boundedness, weak attractor, and asymptotic stability are obtained. Finally, a numerical example is given to illustrate the correctness and effectiveness of our theoretical results.

Stimulation of the Lateral Geniculate, Superior Colliculus, or Visual Cortex is Sufficient for Eyeblink Conditioning in Rats

Science.gov (United States)

Halverson, Hunter E.; Hubbard, Erin M.; Freeman, John H.

2009-01-01

The role of the cerebellum in eyeblink conditioning is well established. Less work has been done to identify the necessary conditioned stimulus (CS) pathways that project sensory information to the cerebellum. A possible visual CS pathway has been hypothesized that consists of parallel inputs to the pontine nuclei from the lateral geniculate…

Lin28b is sufficient to drive liver cancer and necessary for its maintenance in murine models

Science.gov (United States)

Nguyen, Liem H.; Robinton, Daisy A.; Seligson, Marc; Wu, Linwei; Li, Lin; Rakheja, Dinesh; Comerford, Sarah; Ramezani, Saleh; Sun, Xiankai; Parikh, Monisha; Yang, Erin; Powers, John T.; Shinoda, Gen; Shah, Samar; Hammer, Robert; Daley, George Q.; Zhu, Hao

2014-01-01

SUMMARY Lin28a/b are RNA-binding proteins that influence stem cell maintenance, metabolism, and oncogenesis. Poorly differentiated, aggressive cancers often overexpress Lin28, but its role in tumor initiation or maintenance has not been definitively addressed. We report that LIN28B overexpression is sufficient to initiate hepatoblastoma and hepatocellular carcinoma in murine models. We also detected Lin28b overexpression in MYC-driven hepatoblastomas, and liver-specific deletion of Lin28a/b reduced tumor burden, extended latency, and prolonged survival. Both intravenous siRNA against Lin28b and conditional Lin28b deletion reduced tumor burden and prolonged survival. Igf2bp proteins are upregulated and Igf2bp3 is required in the context of LIN28B overexpression to promote growth. Thus, multiple murine models demonstrate that Lin28b is both sufficient to initiate liver cancer and necessary for its maintenance. PMID:25117712

Role of L-alanine for redox self-sufficient amination of alcohols.

Science.gov (United States)

Klatte, Stephanie; Wendisch, Volker F

2015-01-23

In white biotechnology biocatalysis represents a key technology for chemical functionalization of non-natural compounds. The plasmid-born overproduction of an alcohol dehydrogenase, an L-alanine-dependent transaminase and an alanine dehydrogenase allows for redox self-sufficient amination of alcohols in whole cell biotransformation. Here, conditions to optimize the whole cell biocatalyst presented in (Bioorg Med Chem 22:5578-5585, 2014), and the role of L-alanine for efficient amine functionalization of 1,10-decanediol to 1,10-diaminodecane were analyzed. The enzymes of the cascade for amine functionalization of alcohols were characterized in vitro to find optimal conditions for an efficient process. Transaminase from Chromobacterium violaceum, TaCv, showed three-fold higher catalytic efficiency than transaminase from Vibrio fluvialis, TaVf, and improved production at 37°C. At 42°C, TaCv was more active, which matched thermostable alcohol dehydrogenase and alanine dehydrogenase and improved the 1,10-diaminodecane production rate four-fold. To study the role of L-alanine in the whole cell biotransformation, the L-alanine concentration was varied and 1,10.diaminodecane formation tested with constant 10 mM 1,10- decanediol and 100 mM NH4Cl. Only 5.6% diamine product were observed without added L-alanine. L-alanine concentrations equimolar to that of the alcohol enabled for 94% product formation but higher L-alanine concentrations allowed for 100% product formation. L-alanine was consumed by the E. coli biocatalyst, presumably due to pyruvate catabolism since up to 16 mM acetate accumulated. Biotransformation employing E. coli strain YYC202/pTrc99a-ald-adh-ta Cv, which is unable to catabolize pyruvate, resulted in conversion with a selectivity of 42 mol-%. Biotransformation with E. coli strains only lacking pyruvate oxidase PoxB showed similar reduced amination of 1,10-decanediol indicating that oxidative decarboxylation of pyruvate to acetate by PoxB is primarily

Stochastic aspects of multiparticle production in relativistic nuclear reactions

International Nuclear Information System (INIS)

Tachung, M.

1988-01-01

Midrapidity multiparticle production process in ordinary hadron and heavy-ion induced reactions at sufficiently high incident energies are analyzed. It is shown that stochastic aspects of multiparticle production process in relativistic range plays a dominating role in understanding the observable phenomena. The basic idea and the main results of the multisource model for hadron-nucleus and nucleus-nucleus collisions are shown. The concept of the NES (number of effective sources) scaling is discussed. 16 refs.; 7 figs

1,3,5-Triethylbenzene Transformation Reactions Compared to Its Transalkylation Reaction with Ethylbenzene

KAUST Repository

Akhtar, M. Naseem; Sulaiman, Al Khattaf

2009-01-01

The transalkylation of 1,3,5-triethylbenzene (1,3,5-TEB) with ethylbenzene (EB) has been studied over USYtype catalysts using a riser simulator that mimics the operation of a fluidized-bed reactor. The reaction mixture EB and 1,3,5-TEB was used at a molar ratio of 1:1, which is equivalent to 40:60 wt % of EB/1,3,5-TEB, respectively. The reaction temperature was varied from 350 to 500 °C with a time on stream ranging from 3-15 s. The effect of reaction conditions on 1,3,5-TEB conversion, DEB selectivity, and isomerization of 1,3,5-TEB is reported. The transalkylation of 1,3,5-TEB with EB has been compared to the transformation reaction of pure 1,3,5-TEB and EB. The experimental results have revealed that reactivity of 1,3,5-TEB and selectivity of DEB is increased during the transalkylation reaction (EB + 1,3,5-TEB) as compared to the transformation reaction of pure EB or 1,3,5-TEB. The 1,3,5-TEB undergoes isomerization and a cracking reaction to produce DEB and EB but does not undergo any appreciable disproportionation reaction. The isomerization of 1,3,5-TEB is more active at low temperatures, while cracking is more active at high temperatures. © 2009 American Chemical Society.

1,3,5-Triethylbenzene Transformation Reactions Compared to Its Transalkylation Reaction with Ethylbenzene

KAUST Repository

Akhtar, M. Naseem

2009-08-20

The transalkylation of 1,3,5-triethylbenzene (1,3,5-TEB) with ethylbenzene (EB) has been studied over USYtype catalysts using a riser simulator that mimics the operation of a fluidized-bed reactor. The reaction mixture EB and 1,3,5-TEB was used at a molar ratio of 1:1, which is equivalent to 40:60 wt % of EB/1,3,5-TEB, respectively. The reaction temperature was varied from 350 to 500 °C with a time on stream ranging from 3-15 s. The effect of reaction conditions on 1,3,5-TEB conversion, DEB selectivity, and isomerization of 1,3,5-TEB is reported. The transalkylation of 1,3,5-TEB with EB has been compared to the transformation reaction of pure 1,3,5-TEB and EB. The experimental results have revealed that reactivity of 1,3,5-TEB and selectivity of DEB is increased during the transalkylation reaction (EB + 1,3,5-TEB) as compared to the transformation reaction of pure EB or 1,3,5-TEB. The 1,3,5-TEB undergoes isomerization and a cracking reaction to produce DEB and EB but does not undergo any appreciable disproportionation reaction. The isomerization of 1,3,5-TEB is more active at low temperatures, while cracking is more active at high temperatures. © 2009 American Chemical Society.

Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis.

Science.gov (United States)

Lin, Arkadii I; Madzhidov, Timur I; Klimchuk, Olga; Nugmanov, Ramil I; Antipin, Igor S; Varnek, Alexandre

2016-11-28

We report a new method to assess protective groups (PGs) reactivity as a function of reaction conditions (catalyst, solvent) using raw reaction data. It is based on an intuitive similarity principle for chemical reactions: similar reactions proceed under similar conditions. Technically, reaction similarity can be assessed using the Condensed Graph of Reaction (CGR) approach representing an ensemble of reactants and products as a single molecular graph, i.e., as a pseudomolecule for which molecular descriptors or fingerprints can be calculated. CGR-based in-house tools were used to process data for 142,111 catalytic hydrogenation reactions extracted from the Reaxys database. Our results reveal some contradictions with famous Greene's Reactivity Charts based on manual expert analysis. Models developed in this study show high accuracy (ca. 90%) for predicting optimal experimental conditions of protective group deprotection.

Direct photon production in heavy-ion reactions at SPS and RHIC

Indian Academy of Sciences (India)

They are considerably below the heavy-ion results which indicates that a simple scaling of prompt photons as observed in pp is not sufficient to explain the direct photons in central. Pb+Pb reactions. It is also instructive to compare the γ/π0 ratio extracted from heavy-ion data to those from pp and pC in figure 3. The value in ...

Sufficient vitamin K status combined with sufficient vitamin D status is associated with better lower extremity function: a prospective analysis of two knee osteoarthritis cohorts.

Science.gov (United States)

Shea, M Kyla; Loeser, Richard F; McAlindon, Timothy E; Houston, Denise K; Kritchevsky, Stephen B; Booth, Sarah L

2017-10-17

Vitamins K and D are important for the function of vitamin K-dependent proteins in joint tissues. It is unclear if these nutrients are mutually important to functional outcomes related to knee osteoarthritis (OA). We evaluated the association of vitamin K and D sufficiency with lower-extremity function in the Health, Aging Body Composition Knee OA Sub-study (Health ABC) and conducted a replication analysis in an independent cohort, the Osteoarthritis Initiative (OAI). In Health ABC (60% female, 75±3 years) baseline nutrient status was measured using circulating vitamin K and 25(OH)D. Lower-extremity function was assessed using the short physical performance battery (SPPB) and usual 20-meter gait speed. In the OAI (58% female, 61±9 years), baseline nutrient intake was estimated by food frequency questionnaire. Lower-extremity function was assessed using usual 20-meter gait speed and chair stand completion time. Multivariate mixed models were used to evaluate the association of vitamin K and D status and intake with lower-extremity function over 4-5 years. Health ABC participants with sufficient plasma vitamin K (≥1.0 nmol/L) and serum 25(OH)D (≥50 nmol/L) generally had better SPPB scores and faster usual gait speed over follow-up (p≤0.002). In the OAI, sufficient vitamin K and vitamin D intake combined was associated with overall faster usual gait speed and chair stand completion time over follow-up (p≤0.029). Sufficient vitamin K status combined with sufficient vitamin D status was associated with better lower-extremity function in two knee OA cohorts. These findings merit confirmation in vitamin K and D co-supplementation trials. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Do Geriatric Conditions Increase Risk of Adverse Drug Reactions in Ambulatory Elders? Results From the VA GEM Drug Study

Science.gov (United States)

Hanlon, Joseph T.; Sloane, Richard J.; Boscardin, W. John; Schmader, Kenneth E.

2011-01-01

Background. Many clinicians prescribe cautiously to older adults with common geriatric conditions for fear of causing adverse drug reactions (ADRs). However, little is known about the association between these conditions and risk of ADRs. Methods. Using data from the VA Geriatric Evaluation and Management Drug Study, we determined any, preventable, and serious ADRs in 808 elders for 12 months after hospital discharge using a validated process involving patient self-report and chart review adjudicated by two health care professionals. Eight common geriatric conditions (activities of daily living, dementia, incontinence, falls, difficulty ambulating, malnourishment, depression, and prolonged bed rest) were evaluated at study baseline through self-report and structured assessments. We used Poisson regression to model the relationship between these geriatric conditions and ADRs. Results. Participants had a mean of 2.9 ± 1.2 geriatric conditions. Over the 12-month follow-up period, 497 ADRs occurred in 269 participants, including 187 ADRs considered preventable and 127 considered severe. On multivariable analyses, participants with dependency in one or more activities of daily living were less likely to suffer ADRs than those who were fully independent (incidence rate ratio: 0.78, 95% confidence interval = 0.62–1.00). None of the other seven geriatric conditions assessed were associated with ADR risk. Results were similar for preventable and serious ADRs, although participants with a history of falls were more likely to develop serious ADRs (incidence rate ratio: 1.49, 95% confidence interval = 1.00–2.21). Conclusions. Many geriatric conditions were not associated with risk of ADRs. Although it is prudent to prescribe judiciously in patients with these conditions, excessive caution may not be warranted. PMID:21321003

On necessity and sufficiency in counseling and psychotherapy (revisited).

Science.gov (United States)

Lazarus, Arnold A

2007-09-01

It seems to me that Carl Rogers (see record 2007-14639-002) was far too ambitious in trying to specify general conditions of necessity and sufficiency that would be relevant to the entire spectrum of problems and the diverse expectancies and personalities of the people who seek our help. Rogers' position and orientation almost totally overlook the array of problems under the rubric of "response deficits" that stem from misinformation and missing information and call for active correction, training, and retraining. Rogers also paid scant attention to problems with significant biological determinants. Nevertheless, as exemplified by his seminal 1957 article and many other articles and books, Rogers made major contributions within the domain of the therapeutic alliance. Today, the scientific emphasis looks at accountability, the need to establish various treatments of choice, and the need to understand their presumed mechanisms. Treatment efficacy and generalizability across different methodologies are now considered key issues. The efficacy narrowing and clinically self-limiting consequences of adhering to one particular school of thought are now self-evident to most. (PsycINFO Database Record (c) 2010 APA, all rights reserved).

EVALUATION OF FOOD SELF-SUFFICIENCY OF THE REPUBLIC OF TATARSTAN DISTRICTS

Directory of Open Access Journals (Sweden)

R. E. Mansurov

2017-01-01

Full Text Available The article presents the author's method for estimation of the level of food self-sufficiency for the main types of food products in the regions of Republic of Tatarstan. The proposed method is based on the use of analytical methods and mathematical comparative analysis to compose a final rating. The proposed method can be used in the system of regional management of agro-industrial complex on the federal and local level. Relevance. The relevance of this work is caused by on the one hand a hardening of foreign policy that may negatively impact on national food security, and on the other hand the state crisis of the domestic agricultural sector. All this requires the development of new approaches to regional agribusiness management. Goal. To develop a methodology is used to assess the level of food self-sufficiency. To rate the level of self-sufficiency in main types of foodstuff in regions of Republic of Tatarstan. Materials and Methods. Statistical data of the results of the AIC of the Republic of Tatarstan for 2016 was used for the study. Analytical methods, including mathematical analysis and comparison were used. Results. Based on the analysis of the present situation for ensuring of food security in Russia it was shown that now it is necessary to develop effective indicators identifying the level of self-sufficiency in basic food regions. It was also revealed that there are no such indicators in system of regional agrarian and industrial complex at present time. As a result of analysis existing approaches the author's method of rating the level of self-sufficiency of regions was offered. This method was adopted on the example of the Republic of Tatarstan. Conclusions. The proposed method of rating estimation of self-sufficiency for basic foodstuffs can be used in the regional agroindustrial complex management system at the federal and local level. It can be used to rank areas in terms of their self-sufficiency for basic foodstuffs. This

Possibility of the Nonenzymatic Browning (Maillard) Reaction in the ISM

Science.gov (United States)

Jalbout, Abraham F.; Shipar, M. Abul Haider

2008-04-01

The possibility of the occurrence of the nonenzymatic browning reaction in the gaseous phase in the interstellar medium has been investigated by using Density Functional Theory computations. Mechanisms for the reactions between formaldehyde ( Fald) + glycine ( Gly), Fald + NH 3 and Fald + methylamine ( MeAm) have been proposed, and the possibility of the formation of different compounds in the proposed mechanisms has been evaluated through calculating the Gibb's free energy changes for different steps of the reaction, by following the total mass balance. The Fald + Gly reaction under basic conditions is found as the most favorable for producing 1-methyl-amino methene or 1-methyl-amino methelene ( MAM). The reaction under acidic conditions is found to be the least favorable for producing MAM. The Fald + NH 3 reaction is found to be plausible for the production of MeAm, which can participate by reaction with Fald, resulting in the formation of MAM.

Scope and Mechanism of a True Organocatalytic Beckmann Rearrangement with a Boronic Acid/Perfluoropinacol System under Ambient Conditions.

Science.gov (United States)

Mo, Xiaobin; Morgan, Timothy D R; Ang, Hwee Ting; Hall, Dennis G

2018-04-18

Catalytic activation of hydroxyl functionalities is of great interest for the production of pharmaceuticals and commodity chemicals. Here, 2-alkoxycarbonyl- and 2-phenoxycarbonyl-phenylboronic acid were identified as efficient catalysts for the direct and chemoselective activation of oxime N-OH bonds in the Beckmann rearrangement. This classical organic reaction provides a unique approach to prepare functionalized amide products that may be difficult to access using traditional amide coupling between carboxylic acids and amines. Using only 5 mol % of boronic acid catalyst and perfluoropinacol as an additive in a polar solvent mixture, the operationally simple protocol features mild conditions, a broad substrate scope, and a high functional group tolerance. A wide variety of diaryl, aryl-alkyl, heteroaryl-alkyl, and dialkyl oximes react under ambient conditions to afford high yields of amide products. Free alcohols, amides, carboxyesters, and many other functionalities are compatible with the reaction conditions. Investigations of the catalytic cycle revealed a novel boron-induced oxime transesterification providing an acyl oxime intermediate involved in a fully catalytic nonself-propagating Beckmann rearrangement mechanism. The acyl oxime intermediate was prepared independently and was subjected to the reaction conditions. It was found to be self-sufficient; it reacts rapidly, unimolecularly without the need for free oxime. A series of control experiments and 18 O labeling studies support a true catalytic pathway involving an ionic transition structure with an active and essential role for the boronyl moiety in both steps of transesterification and rearrangement. According to 11 B NMR spectroscopic studies, the additive perfluoropinacol provides a transient, electrophilic boronic ester that is thought to serve as an internal Lewis acid to activate the ortho-carboxyester and accelerate the initial, rate-limiting step of transesterification between the precatalyst

Do sufficient vitamin D levels at the end of summer in children and adolescents provide an assurance of vitamin D sufficiency at the end of winter? A cohort study.

Science.gov (United States)

Shakeri, Habibesadat; Pournaghi, Seyed-Javad; Hashemi, Javad; Mohammad-Zadeh, Mohammad; Akaberi, Arash

2017-10-26

The changes in serum 25-hydroxyvitamin D (25(OH)D) in adolescents from summer to winter and optimal serum vitamin D levels in the summer to ensure adequate vitamin D levels at the end of winter are currently unknown. This study was conducted to address this knowledge gap. The study was conducted as a cohort study. Sixty-eight participants aged 7-18 years and who had sufficient vitamin D levels at the end of the summer in 2011 were selected using stratified random sampling. Subsequently, the participants' vitamin D levels were measured at the end of the winter in 2012. A receiver operating characteristic (ROC) curve was used to determine optimal cutoff points for vitamin D at the end of the summer to predict sufficient vitamin D levels at the end of the winter. The results indicated that 89.7% of all the participants had a decrease in vitamin D levels from summer to winter: 14.7% of them were vitamin D-deficient, 36.8% had insufficient vitamin D concentrations and only 48.5% where able to maintain sufficient vitamin D. The optimal cutoff point to provide assurance of sufficient serum vitamin D at the end of the winter was 40 ng/mL at the end of the summer. Sex, age and vitamin D levels at the end of the summer were significant predictors of non-sufficient vitamin D at the end of the winter. In this age group, a dramatic reduction in vitamin D was observed over the follow-up period. Sufficient vitamin D at the end of the summer did not guarantee vitamin D sufficiency at the end of the winter. We found 40 ng/mL as an optimal cutoff point.

Experimental Study of Serpentinization Reactions

Science.gov (United States)

Cohen, B. A.; Brearley, A. J.; Ganguly, J.; Liermann, H.-P.; Keil, K.

2004-01-01

Current carbonaceous chondrite parent-body thermal models [1-3] produce scenarios that are inconsistent with constraints on aqueous alteration conditions based on meteorite mineralogical evidence, such as phase stability relationships within the meteorite matrix minerals [4] and isotope equilibration arguments [5, 6]. This discrepancy arises principally because of the thermal runaway effect produced by silicate hydration reactions (here loosely called serpentinization, as the principal products are serpentine minerals), which are so exothermic as to produce more than enough heat to melt more ice and provide a self-sustaining chain reaction. One possible way to dissipate the heat of reaction is to use a very small parent body [e.g., 2] or possibly a rubble pile model. Another possibility is to release this heat more slowly, which depends on the alteration reaction path and kinetics.

Nuclear transfer in peripheral heavy ion reactions

International Nuclear Information System (INIS)

Werner, K.

1984-01-01

The aim of the whole thesis is to understand the experimental results of N. Frascaria et al. (1980), namely structures in the cross section as function of the excitation energy for the reaction 40 Ca + 40 Ca at 400 MeV incident energy. We present therefore in chapter 1 a simple model of two identical potentials with only two energy levels. On the base of statistically independent T-L excitations and by fitting a two parameters to the experiments it succeeds to reproduce sufficiently the experimental results. The next step is a microscopical treatment of these parameters for the understanding and the foundation of the fitted values. For this we develop in chapter 2 a theory of collective variables in the framework of TDHF which allows to perform in chapter 3 in a very transparent way microscopical calculations and especially to understand the transfer behaviour in peripheral heavy ion reactions. This transfer behaviour will also be the key for the understanding of the experimental structures. (orig.) [de

Collection of human reaction times and supporting health related data for analysis of cognitive and physical performance

Directory of Open Access Journals (Sweden)

Petr Brůha

2018-04-01

Full Text Available Smoking, excessive drinking, overeating and physical inactivity are well-established risk factors decreasing human physical performance. Moreover, epidemiological work has identified modifiable lifestyle factors, such as poor diet and physical and cognitive inactivity that are associated with the risk of reduced cognitive performance. Definition, collection and annotation of human reaction times and suitable health related data and metadata provides researchers with a necessary source for further analysis of human physical and cognitive performance. The collection of human reaction times and supporting health related data was obtained from two groups comprising together 349 people of all ages - the visitors of the Days of Science and Technology 2016 held on the Pilsen central square and members of the Mensa Czech Republic visiting the neuroinformatics lab at the University of West Bohemia. Each provided dataset contains a complete or partial set of data obtained from the following measurements: hands and legs reaction times, color vision, spirometry, electrocardiography, blood pressure, blood glucose, body proportions and flexibility. It also provides a sufficient set of metadata (age, gender and summary of the participant's current life style and health to allow researchers to perform further analysis. This article has two main aims. The first aim is to provide a well annotated collection of human reaction times and health related data that is suitable for further analysis of lifestyle and human cognitive and physical performance. This data collection is complemented with a preliminarily statistical evaluation. The second aim is to present a procedure of efficient acquisition of human reaction times and supporting health related data in non-lab and lab conditions. Keywords: Reaction time, Health related data, Cognitive and physical performance, Chronic disease, Data acquisition, Data collection, Software for data collection

Optimized Reaction Conditions for Removal of Cellular Organic Matter of Microcystis aeruginosa During the Destabilization and Aggregation Process Using Ferric Sulfate in Water Purification

Czech Academy of Sciences Publication Activity Database

Pivokonský, Martin; Polášek, Pavel; Pivokonská, Lenka; Tomášková, Hana

2009-01-01

Roč. 81, č. 5 (2009), s. 514-522 ISSN 1061-4303 R&D Projects: GA ČR GA103/07/0295 Institutional research plan: CEZ:AV0Z20600510 Keywords : Microcystis aeruginosa * cellular organic matter * destabilization * aggregation * optimized reaction conditions * water purification Subject RIV: BK - Fluid Dynamics Impact factor: 0.965, year: 2009

POLITICAL ECONOMIC ANALYSIS OF RICE SELF-SUFFICIENCY IN INDONESIA

Directory of Open Access Journals (Sweden)

Sri Nuryanti

2018-01-01

Full Text Available Rice self-sufficiency is an important programme in Indonesia. The programme has four major targets, i.e. increasing production, stabilizing prices and reserve stocks, and minimizing import. For that purpose, the government gave a mandate to a parastatal, namely National Logistic Agency (Bulog in implementing the rice policies. Some studies found that involvement of such a parastatal could lead to government failure in budget allocation. The study aimed to estimate social cost of rice self-sufficiency programme based on the implementation of rice instrument policies by Bulog. The study used the national annual data of 2002–2014 period. The method used was the political preference function model to estimate economic rent and dead-weight loss using rice price elasticity of demand and supply. The result showed that in terms of percentage of food security budget, the average of economic rent reached IDR 6.37 trillion per annum (18.54%, while the average of dead-weight loss amounted at IDR 0.90 trillion per annum (2.34%. It proved that rice self-sufficiency programme along with the involvement of Bulog was economically inefficient. The government should provide better agricultural infrastructure, review governmental procurement prices, and stop rice import policy to remedy market failure.

Conservation Laws in Biochemical Reaction Networks

DEFF Research Database (Denmark)

Mahdi, Adam; Ferragut, Antoni; Valls, Claudia

2017-01-01

We study the existence of linear and nonlinear conservation laws in biochemical reaction networks with mass-action kinetics. It is straightforward to compute the linear conservation laws as they are related to the left null-space of the stoichiometry matrix. The nonlinear conservation laws...... are difficult to identify and have rarely been considered in the context of mass-action reaction networks. Here, using the Darboux theory of integrability, we provide necessary structural (i.e., parameterindependent) conditions on a reaction network to guarantee the existence of nonlinear conservation laws...

Role of sufficient statistics in stochastic thermodynamics and its implication to sensory adaptation

Science.gov (United States)

Matsumoto, Takumi; Sagawa, Takahiro

2018-04-01

A sufficient statistic is a significant concept in statistics, which means a probability variable that has sufficient information required for an inference task. We investigate the roles of sufficient statistics and related quantities in stochastic thermodynamics. Specifically, we prove that for general continuous-time bipartite networks, the existence of a sufficient statistic implies that an informational quantity called the sensory capacity takes the maximum. Since the maximal sensory capacity imposes a constraint that the energetic efficiency cannot exceed one-half, our result implies that the existence of a sufficient statistic is inevitably accompanied by energetic dissipation. We also show that, in a particular parameter region of linear Langevin systems there exists the optimal noise intensity at which the sensory capacity, the information-thermodynamic efficiency, and the total entropy production are optimized at the same time. We apply our general result to a model of sensory adaptation of E. coli and find that the sensory capacity is nearly maximal with experimentally realistic parameters.

Pricing and crude oil self-sufficiency. [Canada

Energy Technology Data Exchange (ETDEWEB)

1979-11-01

How Canada should go about achieving crude oil self-sufficiency and who should develop Canada's petroleum resources are discussed. The degree of urgency and the level of commitment required by government, industry, and consumers are evaluated. What the price should be of Canadian crude oil and who should establish this price are also discussed. The economic aspects of investment, return, and taxation are also included. (DC)

UV-MAOR - UV-B-specific reactions of marine planktons. Final report

International Nuclear Information System (INIS)

Gerbersdorf, S.; Steeger, H.U.; Schubert, H.; Paul, R.J.

2001-02-01

An initial finding of the studies performed here is that under certain hydrogeographic and meteorological conditions vertical migration of phyto and zooplankton also occurs in near-shore parts of flat waters. The vertical migration of phytoplankton was induced by exceeding the threshold intensity of approx. 300 μmol photons m -2 s -1 (PAR). However, the sigmoidal course of the reaction of phytoplankton suggests that it is apparently not the PAR intensity alone but the ratio of PAR/UV-B which governs the downward migration. However, the present body of data is not sufficient for a definitive statistical verification of this finding. Light irradiation resulted in an increased density and thus in a reduced buoyancy of flounder spawn. This effect was primarily dependent on intensity and did not increase upon irradiation with UV-B, UV-A and PAR as compared to UV-A and PAR alone. Irradiation with UV-B did not influence the substance located in the vitellus whose absorption maximum was found to be 300 nm, probably gadusol

Combination of Deep Recurrent Neural Networks and Conditional Random Fields for Extracting Adverse Drug Reactions from User Reviews.

Science.gov (United States)

Tutubalina, Elena; Nikolenko, Sergey

2017-01-01

Adverse drug reactions (ADRs) are an essential part of the analysis of drug use, measuring drug use benefits, and making policy decisions. Traditional channels for identifying ADRs are reliable but very slow and only produce a small amount of data. Text reviews, either on specialized web sites or in general-purpose social networks, may lead to a data source of unprecedented size, but identifying ADRs in free-form text is a challenging natural language processing problem. In this work, we propose a novel model for this problem, uniting recurrent neural architectures and conditional random fields. We evaluate our model with a comprehensive experimental study, showing improvements over state-of-the-art methods of ADR extraction.

Combination of Deep Recurrent Neural Networks and Conditional Random Fields for Extracting Adverse Drug Reactions from User Reviews

Directory of Open Access Journals (Sweden)

Elena Tutubalina

2017-01-01

Full Text Available Adverse drug reactions (ADRs are an essential part of the analysis of drug use, measuring drug use benefits, and making policy decisions. Traditional channels for identifying ADRs are reliable but very slow and only produce a small amount of data. Text reviews, either on specialized web sites or in general-purpose social networks, may lead to a data source of unprecedented size, but identifying ADRs in free-form text is a challenging natural language processing problem. In this work, we propose a novel model for this problem, uniting recurrent neural architectures and conditional random fields. We evaluate our model with a comprehensive experimental study, showing improvements over state-of-the-art methods of ADR extraction.

Some necessary and sufficient conditions for Hypercyclicity Criterion

Indian Academy of Sciences (India)

R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

X and in this case x is called a hypercyclic vector for T (see [14] for an ... used to show that certain classes of composition operators [6], weighted ... then A is called a Hilbert–Schmidt operator and by this norm B2(H ) is a .... following inequalities: .... [15] Herrero D A, Limits of hypercyclic and supercyclic operators, J. Func.

24 CFR 902.30 - Financial condition assessment.

Science.gov (United States)

2010-04-01

... financial condition of a PHA for the purpose of evaluating whether it has sufficient financial resources and... is decent, safe, sanitary and in good repair. (b) Financial reporting standards. A PHA's financial... 24 Housing and Urban Development 4 2010-04-01 2010-04-01 false Financial condition assessment. 902...

Comparative Study Between Ethylbenzene Disproportionation Reaction and its Ethylation Reaction with Ethanol over ZSM-5

KAUST Repository

Tukur, N. M.

2009-06-23

Ethylation of ethylbenzene with ethanol has been studied over ZSM-5 catalyst in a riser simulator that mimics the operation of a fluidized-bed reactor. The feed molar ratio of ethylbenzene:ethanol is 1:1. The study was carried out at 350, 400, 450, and 500°C for reaction times of 3, 5, 7, 10, 13, and 15 s. Comparisons are made between the results of the ethylbenzene ethylation reaction with that of ethylbenzene disproportionation reaction earlier reported. The effect of reaction conditions on ethylbenzene reactivity, p-diethylbenzene selectivity, total diethylbenzene (DEB) isomers selectivity, p-DEB-to-m-DEB ratio, benzene-to-DEB molar ratio, and benzene selectivity, are reported. Benzene selectivity is about 10 times more in the EB disproportion reaction as compared to its ethylation reaction with ethanol at 350°C. In addition, the results showed a p-DEB/m-DEB ratio for the EB ethylation reaction varying between 1.2-1.7, which is greater than the equilibrium values. Increase in temperature shifts the alkylation/dealkylation equilibrium towards dealkylation, thereby decreasing conversion and selectivity to DEB. © Springer Science+Business Media, LLC 2009.

[Vitamin-antioxidant sufficiency of winter sports athletes].

Science.gov (United States)

Beketova, N A; Kosheleva, O V; Pereverzeva, O G; Vrzhesinskaia, O A; Kodentsova, V M; Solntseva, T N; Khanfer'ian, R A

2013-01-01

The sufficiency of 169 athletes (six disciplines: bullet shooting, biathlon, bobsleigh, skeleton, freestyle skiing, snowboarding) with vitamins A, E, C, B2, and beta-carotene has been investigated in April-September 2013. All athletes (102 juniors, mean age--18.5 +/- 0.3 years, and 67 adult high-performance athletes, mean age--26.8 +/- 0.7 years) were sufficiently supplied with vitamin A (70.7 +/- 1.7 mcg/dl). Mean blood serum retinol level was 15% higher the upper limit of the norm (80 mcg/dl) in biathletes while median reached 90.9 mcg/dl. Blood serum level of tocopherols (1.22 +/- 0.03 mg/dl), ascorbic acid (1.06 +/- 0.03 mg/dl), riboflavin (7.1 +/- 0.4 ng/ml), and beta-carotene (25.1 +/- 1.7 mcg/dl) was in within normal range, but the incidence of insufficiency of vitamins E, C, B2, and carotenoid among athletes varied in the range of 0-25, 0-17, 15-67 and 42-75%, respectively. 95% of adults and 80% of younger athletes were sufficiently provided with vitamin E. Vitamin E level in blood serum of juniors involved in skeleton and biathlon was lower by 51 and 72% (p antioxidants (beta-carotene and vitamins E and C). In other sports, the relative quantity of athletes sufficiently supplied with these essential nutrients did not exceed 56%. The quota of supplied with all antioxidants among bullet shooters (31.1%) and bobsledders (23.5%) was significantly (p antioxidant (mainly beta-carotene) was most often recorded among persons engaged in bullet shooting (67%). The simultaneous lack of all three antioxidants was found only in freestylers and bobsledders (about 5%). Decreased level of antioxidants in blood serum in 40% of athletes was combined with vitamin B2 deficiency. The data obtained suggest the necessity to optimize diet vitamin content of all athletes, taking into account the age and gender differences. Contrary to prevailing stereotypes the optimization must involve not only an increase in the consumption of vitamins (vitamins E, B group) and carotenoids, but

EXAMINATION OF THE SIMULATED THERMAL CONDITIONS IN A POPULAR PLAYGROUND RELATED TO THE HUMAN REACTIONS AND THE JUDGMENT OF THE AREA DESIGN

Directory of Open Access Journals (Sweden)

L.A. ÉGERHÁZI

2013-03-01

Full Text Available In the field of urban bioclimatology an important and timely research direction today is to examine the thermal conditions of public places. In our study, human thermal comfort analysis was performed in a modern and well-attended children playground located in Szeged (Hungary. The aim of the paper is to reveal the changes in the thermal comfort conditions between two seasons and also the resulting subjective thermal reactions of visitors in this relatively small area. Thermal comfort conditions were quantified by the Physiologically Equivalent Temperature (PET. For typical summer and autumn days of 2011 numerical simulations of thermal comfort conditions in the playground were carried out by means of the urban microclimate model ENVI-met. Spatial distribution of the simulated PET, i.e. thermal stress maps were created in two different times of the selected days in order to characterize the distinct microclimatological conditions appearing in the area. The relationship between the momentary spatial patterns of visitors and the thermal conditions was also under investigation. Additionally, onsite questionnaire survey was implemented which highlights the people’s subjective evaluation related to the design of the playground.

Kinetics of carbonate dissolution in CO2-saturated aqueous system at reservoir conditions

Science.gov (United States)

Peng, Cheng; Crawshaw, John P.; Maitland, Geoffrey; Trusler, J. P. Martin

2014-05-01

results of the study indicate that the rotating disc technique can allow accurate measurement of the carbonate dissolution rate under surface-reaction-controlled conditions, and that the carbonate dissolution rate typically increases with the increase of temperature, CO2 partial pressure and solution acidity. The study shows that the dissolution of carbonate in CO2-free acidic solutions can be described as a first order heterogeneous reaction; however, this model is not sufficient to describe the reaction kinetics of carbonate minerals in the (CO2 + H2O) system, particularly for high reactivity carbonates, such as calcite, at reservoir conditions. For these systems, both pH and the activity of CO2(aq) influence the dissolution rate. Based on the experimental results, kinetic models have been developed and parameterised to describe the dissolution of different carbonate minerals. The results of this study should facilitate more rigorous modelling of mineral dissolution in deep saline aquifers used for CO2 storage. We gratefully acknowledge the funding of QCCSRC provided jointly by Qatar Petroleum, Shell, and the Qatar Science & Technology Park. Keywords: Carbon Dioxide, Carbonate, High Pressure, High Temperature, Reaction Kinetics.

Mittag-Leffler synchronization of fractional neural networks with time-varying delays and reaction-diffusion terms using impulsive and linear controllers.

Science.gov (United States)

Stamova, Ivanka; Stamov, Gani

2017-12-01

In this paper, we propose a fractional-order neural network system with time-varying delays and reaction-diffusion terms. We first develop a new Mittag-Leffler synchronization strategy for the controlled nodes via impulsive controllers. Using the fractional Lyapunov method sufficient conditions are given. We also study the global Mittag-Leffler synchronization of two identical fractional impulsive reaction-diffusion neural networks using linear controllers, which was an open problem even for integer-order models. Since the Mittag-Leffler stability notion is a generalization of the exponential stability concept for fractional-order systems, our results extend and improve the exponential impulsive control theory of neural network system with time-varying delays and reaction-diffusion terms to the fractional-order case. The fractional-order derivatives allow us to model the long-term memory in the neural networks, and thus the present research provides with a conceptually straightforward mathematical representation of rather complex processes. Illustrative examples are presented to show the validity of the obtained results. We show that by means of appropriate impulsive controllers we can realize the stability goal and to control the qualitative behavior of the states. An image encryption scheme is extended using fractional derivatives. Copyright © 2017 Elsevier Ltd. All rights reserved.

Simplified models of transport and reactions in conditions of CO2 storage in saline aquifers

Science.gov (United States)

Suchodolska, Katarzyna; Labus, Krzysztof

2016-04-01

Simple hydrogeochemical models may serve as tools of preliminary assessment of CO2 injection and sequestraton impact on the aquifer and cap-rocks. In order to create models of reaction and transport in conditions of CO2 injection and storage, the TOUGHREACT simulator, and the Geochemist's Workbench software were applied. The chemical composition of waters for kinetic transport models based on the water - rock equilibrium calculations. Analyses of reaction and transport of substances during CO2 injection and storage period were carried out in three scenarios: one-dimensional radial model, and two-dimensional model of CO2 injection and sequestration, and one-dimensional model of aquifer - cap-rock interface. Modeling was performed in two stages. The first one simulated the immediate changes in the aquifer and insulating rocks impacted by CO2 injection (100 days in case of reaction model and 30 years in transport and reaction model), the second - enabled assessment of long-term effects of sequestration (20000 years). Reactions' quality and progress were monitored and their effects on formation porosity and sequestration capacity in form of mineral, residual and free phase of CO2 were calculated. Calibration of numerical models (including precipitation of secondary minerals, and correction of kinetics parameters) describing the initial stage of injection, was based on the experimental results. Modeling allowed to evaluate the pore space saturation with gas, changes in the composition and pH of pore waters, relationships between porosity and permeability changes and crystallization or dissolution minerals. We assessed the temporal and spatial extent of crystallization processes, and the amount of carbonates trapping. CO2 in mineral form. The calculated sequestration capacity of analyzed formations reached n·100 kg/m3 for the: dissolved phase - CO(aq), gas phase - CO2(g) and mineral phase, but as much as 101 kg/m3 for the supercritical phase - SCCO2. Processes of gas

Algorithm for Fast and Efficient Detection and Reaction to Angle Instability Conditions Using Phasor Measurement Unit Data

Directory of Open Access Journals (Sweden)

Igor Ivanković

2018-03-01

Full Text Available In wide area monitoring, protection, and control (WAMPAC systems, angle stability of transmission network is monitored using data from phasor measurement units (PMU placed on transmission lines. Based on this PMU data stream advanced algorithm for out-of-step condition detection and early warning issuing is developed. The algorithm based on theoretical background described in this paper is backed up by the data and results from corresponding simulations done in Matlab environment. Presented results aim to provide the insights of the potential benefits, such as fast and efficient detection and reaction to angle instability, this algorithm can have on the improvement of the power system protection. Accordingly, suggestion is given how the developed algorithm can be implemented in protection segments of the WAMPAC systems in the transmission system operator control centers.

Reaction kinetics of hydrazine neutralization in steam generator wet lay-up solution: Identifying optimal degradation conditions

International Nuclear Information System (INIS)

Schildermans, Kim; Lecocq, Raphael; Girasa, Emmanuel

2012-09-01

During a nuclear power plant outage, hydrazine is used as an oxygen scavenger in the steam generator lay-up solution. However, due to the carcinogenic effects of hydrazine, more stringent discharge limits are or will be imposed in the environmental permits. Hydrazine discharge could even be prohibited. Consequently, hydrazine alternatives or hydrazine degradation before discharge is needed. This paper presents the laboratory tests performed to characterize the reaction kinetics of hydrazine neutralization using bleach or hydrogen peroxide, catalyzed with either copper sulfate (CuSO 4 ) or potassium permanganate (KMnO 4 ). The tests are performed on two standard steam generator lay-up solutions based on different pH control agents: ammonia or ethanolamine. Different neutralization conditions are tested by varying temperature, oxidant addition, and catalyst concentration, among others, in order to identify the optimal parameters for hydrazine neutralization in a steam generator wet lay-up solution. (authors)

Attrition of limestones by impact loading in fluidized beds: The influence of reaction conditions

Energy Technology Data Exchange (ETDEWEB)

Scala, Fabrizio [Istituto di Ricerche sulla Combustione, Consiglio Nazionale delle Ricerche, Napoli (Italy); Salatino, Piero [Istituto di Ricerche sulla Combustione, Consiglio Nazionale delle Ricerche, Napoli (Italy); Dipartimento di Ingegneria Chimica, Universita degli Studi di Napoli Federico II, Napoli (Italy)

2010-09-15

The extent of attrition associated with impact loading was studied for five different limestones pre-processed in fluidized bed under different reaction conditions. The experimental procedure was based on the measurement of the amount and the particle size distribution of the debris generated upon impact of sorbent samples against a target at velocities between 10 and 45 m/s. The effect of calcination, sulfation and calcination/re-carbonation on impact damage was assessed. Fragmentation by impact loading of the limestones was significant and increased with the impact velocity. Lime samples displayed the largest propensity to undergo impact damage, followed by sulfated, re-carbonated and raw limestones. Fragmentation of the sulfated samples followed a pattern typical of the failure of brittle materials. On the other hand, the behaviour of lime samples better conformed to a disintegration failure mode, with extensive generation of very fine fragments. Raw limestone and re-carbonated lime samples followed either of the two patterns depending on the sorbent nature. The extent of particle fragmentation increased after multiple impacts, but the incremental amount of fragments generated upon one impact decreased with the number of successive impacts. (author)

Heterogeneous Reactions between Toluene and NO2 on Mineral Particles under Simulated Atmospheric Conditions.

Science.gov (United States)

Niu, Hejingying; Li, Kezhi; Chu, Biwu; Su, Wenkang; Li, Junhua

2017-09-05

Heterogeneous reactions between organic and inorganic gases with aerosols are important for the study of smog occurrence and development. In this study, heterogeneous reactions between toluene and NO 2 with three atmospheric mineral particles in the presence or absence of UV light were investigated. The three mineral particles were SiO 2 , α-Fe 2 O 3 , and BS (butlerite and szmolnokite). In a dark environment, benzaldehyde was produced on α-Fe 2 O 3 . For BS, nitrotoluene and benzaldehyde were obtained. No aromatic products were produced in the absence of NO 2 in the system. In the presence of UV irradiation, benzaldehyde was detected on the SiO 2 surface. Identical products were produced in the presence and absence of UV light over α-Fe 2 O 3 and BS. UV light promoted nitrite to nitrate on mineral particles surface. On the basisi of the X-ray photoelectron spectroscopy (XPS) results, a portion of BS was reduced from Fe 3+ to Fe 2+ with the adsorption of toluene or the reaction with toluene and NO 2 . Sulfate may play a key role in the generation of nitrotoluene on BS particles. From this research, the heterogeneous reactions between organic and inorganic gases with aerosols that occur during smog events will be better understood.

Sufficiency of the Nuclear Fuel

International Nuclear Information System (INIS)

Pevec, D.; Knapp, V.; Matijevic, M.

2008-01-01

Estimation of the nuclear fuel sufficiency is required for rational decision making on long-term energy strategy. In the past an argument often invoked against nuclear energy was that uranium resources are inadequate. At present, when climate change associated with CO 2 emission is a major concern, one novel strong argument for nuclear energy is that it can produce large amounts of energy without the CO 2 emission. Increased interest in nuclear energy is evident, and a new look into uranium resources is relevant. We examined three different scenarios of nuclear capacity growth. The low growth of 0.4 percent per year in nuclear capacity is assumed for the first scenario. The moderate growth of 1.5 percent per year in nuclear capacity preserving the present share in total energy production is assumed for the second scenario. We estimated draining out time periods for conventional resources of uranium using once through fuel cycle for the both scenarios. For the first and the second scenario we obtained the draining out time periods for conventional uranium resources of 154 years and 96 years, respectively. These results are, as expected, in agreement with usual evaluations. However, if nuclear energy is to make a major impact on CO 2 emission it should contribute much more in the total energy production than at present level of 6 percent. We therefore defined the third scenario which would increase nuclear share in the total energy production from 6 percent in year 2020 to 30 percent by year 2060 while the total world energy production would grow by 1.5 percent per year. We also looked into the uranium requirement for this scenario, determining the time window for introduction of uranium or thorium reprocessing and for better use of uranium than what is the case in the once through fuel cycle. The once through cycle would be in this scenario sustainable up to about year 2060 providing most of the expected but undiscovered conventional uranium resources were turned

Chemical and physical reactions under thermal plasmas conditions

International Nuclear Information System (INIS)

Fauchais, P.; Vardelle, A.; Vardelle, M.; Coudert, J.F.

1987-01-01

Basic understanding of the involved phenomena lags far behind industrial development that requires now a better knowledge of the phenomena to achieve a better control of the process allowing to improve the quality of the products. Thus the authors try to precise what is their actual knowledge in the fields of: plasma generators design; plasma flow models with the following key points: laminar or turbulent flow, heat transfer to walls, 2D or 3D models, non equilibrium effects, mixing problems when chemical reactions are to be taken into account with very fast kinetics, electrode regions, data for transport properties and kinetic rates; nucleation problems; plasma flow characteristics measurements: temperature or temperatures and population of excited states (automatized emission spectroscopy, LIF, CARS) as well as flow velocity (LDA with small particles, Doppler effects...); plasma and particles momentum and heat transfer either with models taking into account particles size and injection velocity distributions, heat propagation, vaporization, Kundsen effect, turbulences ... or with measurements: particles velocity and flux distributions (Laser Anemometry) as well as surface temperature distributions (two colour pyrometry in flight statistical or not)

Click and Release: A Chemical Strategy toward Developing Gasotransmitter Prodrugs by Using an Intramolecular Diels-Alder Reaction.

Science.gov (United States)

Ji, Xingyue; Zhou, Cheng; Ji, Kaili; Aghoghovbia, Robert E; Pan, Zhixiang; Chittavong, Vayou; Ke, Bowen; Wang, Binghe

2016-12-19

Prodrug strategies have been proven to be a very effective way of addressing delivery problems. Much of the chemistry in prodrug development relies on the ability to mask an appropriate functional group, which can be removed under appropriate conditions. However, developing organic prodrugs of gasotransmitters represent unique challenges. This is especially true with carbon monoxide, which does not have an easy "handle" for bioreversible derivatization. By taking advantage of an intramolecular Diels-Alder reaction, we have developed a prodrug strategy for preparations of organic CO prodrugs that are stable during synthesis and storage, and yet readily release CO with tunable release rates under near physiological conditions. The effectiveness of the CO prodrug system in delivering a sufficient quantity of CO for possible therapeutic applications has been studied using a cell culture anti-inflammatory assay and a colitis animal model. These studies fully demonstrate the proof of concept, and lay a strong foundation for further medicinal chemistry work in developing organic CO prodrugs. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Measurement of cross-sections of yttrium (n,xn) threshold reactions by means of gamma spectroscopy

CERN Document Server

Chudoba, Petr; Wagner, V; Vrzalova, J; Svoboda, O; Majerle, M; Stefanik, M; Suchopar, M; Kugler, A; Bielewicz, M; Strugalska-Gola, E; Szuta, M; Hervas, D; Herman, T; Geier, B

2014-01-01

Neutron activation and gamma spectrometry are usable also f or the determination of cross-sections of different neutron reactions. We have studied the cross-sections of yttrium (n, x n) threshold reactions using quasi-monoenergetic neutron source based on the reaction on 7 Li target at Nuclear Physics Institute of ASCR in Rez. Yttrium (n, x n) threshold reactions are suitable candidates for fast neutron field measurement by activation detectors. Fast neutron field monitoring is necessary already today at a wide range of accelerator facilities and will gain on importance in future fast reactors of generation IV, accelerator transmutation systems or fusion reactors. The knowledge of the cross-sections is crucial for such purpose. Unfortunately, the cross-section is sufficiently known only for 89 Y(n,2n) 88 Y reaction. For higher orders of reactions there are almost no experimental data. Special attention was paid to t he 89 Y(n,3n) 87 Y reaction. The cross-sections of both 89 Y(n,2n) 88 Y and 89 Y(n,3n) 87 Y re...

Energy self-sufficiency in Northampton, Massachusetts

Energy Technology Data Exchange (ETDEWEB)

1979-10-01

The study is not an engineering analysis but begins the process of exploring the potential for conservation and local renewable-resource development in a specific community, Northampton, Massachusetts, with the social, institutional, and environmental factors in that community taken into account. Section I is an extensive executive summary of the full study, and Section II is a detailed examination of the potential for increased local energy self-sufficiency in Northampton, including current and future demand estimates, the possible role of conservation and renewable resources, and a discussion of the economic and social implications of alternative energy systems. (MOW)

Evaluation of the atmospheric significance of multiphase reactions in atmospheric secondary organic aerosol formation

Directory of Open Access Journals (Sweden)

Gelencsér

2005-01-01

Full Text Available In a simple conceptual cloud-aerosol model the mass of secondary organic aerosol (SOA that may be formed in multiphase reaction in an idealized scenario involving two cloud cycles separated with a cloud-free period is evaluated. The conditions are set to those typical of continental clouds, and each parameter used in the model calculations is selected as a mean of available observational data of individual species for which the multiphase SOA formation route has been established. In the idealized setting gas and aqueous-phase reactions are both considered, but only the latter is expected to yield products of sufficiently low volatility to be retained by aerosol particles after the cloud dissipates. The key variable of the model is the Henry-constant which primarily determines how important multiphase reactions are relative to gas-phase photooxidation processes. The precursor considered in the model is assumed to already have some affinity to water, i.e. it is a compound having oxygen-containing functional group(s. As a principal model output an aerosol yield parameter is calculated for the multiphase SOA formation route as a function of the Henry-constant, and has been found to be significant already above H~103 M atm-1. Among the potential precursors that may be eligible for this mechanism based on their Henry constants, there are a suite of oxygenated compounds such as primary oxidation products of biogenic and anthropogenic hydrocarbons, including, for example, pinonaldehyde. Finally, the analogy of multiphase SOA formation to in-cloud sulfate production is exploited.

Classical kinematic model for direct reactions of oriented reagents

International Nuclear Information System (INIS)

Schechter, I.; Prisant, M.G.; Levine, R.D.

1987-01-01

A simple kinematic model based on the concept of an orientation-dependent critical configuration for reaction is introduced and applied. The model serves two complementary purposes. In the predictive mode the model provides an easily implemented procedure for computing the reactivity of oriented reagents (including those actually amenable to measure) from a given potential energy surface. The predictions of the model are compared against classical trajectory results for the H + D 2 reaction. By use of realistic potential energy surfaces the model is applied to the Li + HF and O + HCl reactions where the HX molecules are pumped by a polarized laser. A given classical trajectory is deemed reactive or not according to whether it can surmount the barrier at that particular orientation. The essential difference with the model of Levine and Bernstein is that the averaging over initial conditions is performed by using a Monte Carlo integration. One can therefore use the correct orientation-dependent shape (and not only height) of the barrier to reaction and, furthermore, use oriented or aligned reagents. Since the only numerical step is a Monte Carlo sampling of initial conditions, very many trajectories can be run. This suffices to determine the reaction cross section for different initial conditions. To probe the products, they have employed the kinematic approach of Elsum and Gordon. The result is a model where, under varying initial conditions, examining final-state distributions or screening different potential energy surfaces can be efficiently carried out

Travelling wave and convergence in stage-structured reaction-diffusion competitive models with nonlocal delays

International Nuclear Information System (INIS)

Xu Rui; Chaplain, M.A.J.; Davidson, F.A.

2006-01-01

In this paper, we first investigate a stage-structured competitive model with time delays, harvesting, and nonlocal spatial effect. By using an iterative technique recently developed by Wu and Zou (Wu J, Zou X. Travelling wave fronts of reaction-diffusion systems with delay. J Dynam Differen Equat 2001;13:651-87), sufficient conditions are established for the existence of travelling front solution connecting the two boundary equilibria in the case when there is no positive equilibrium. The travelling wave front corresponds to an invasion by a stronger species which drives the weaker species to extinction. Secondly, we consider a stage-structured competitive model with time delays and nonlocal spatial effect when the domain is finite. We prove the global stability of each of the nonnegative equilibria and demonstrate that the more complex model studied here admits three possible long term behaviors: coexistence, bistability and dominance as is the case for the standard Lotka-Voltera competitive model

Reaction sintering of ceramic-metal composites

International Nuclear Information System (INIS)

Botta Filho, W.J.; Rodrigues, J.A.; Tomasi, R.; Pandolfelli, V.C.; Passos, J.F.S.S.; Folgueras, M.V.

1990-01-01

Reaction sintering experiments have been carried out in the system Al 2 O 3 -ZrAl 2 -Nb 2 O 5 with the objective of producing ceramic-metal composites of improved toughness. The sintering treatments have been done in the temperature range of 700 0 C to 1400 0 C under different conditions of vacuum and in air and argon atmospheres. The treated samples have been analysed by X-ray diffraction and analytical electron microscopy. The results are discussed in function of the degree of reaction, the development of microstructure and the densification. These results have shown that although an exchange reaction can occur to produce a composite, the control of the reaction to obtain a dense microstructure has not been possible yet. (author) [pt

Energy Self-Sufficient Island

International Nuclear Information System (INIS)

Bratic, S.; Krajacic, G.; Duic, N.; Cotar, A.; Jardas, D.

2011-01-01

In order to analyze energy self-sufficient island, example of a smaller island, connected to the power system of a bigger island with an undersea cable, was taken. Mounting substation 10/0,4 is situated on the island and for the moment it provides enough electricity using the medium voltage line. It is assumed that the island is situated on the north part of the Adriatic Sea. The most important problem that occurs on the island is the population drop that occurs for a significant number of years, therefore, life standard needs to be improved, and economic development needs to be encouraged immediately. Local authorities to stimulate sustainable development on the island through different projects, to breath in a new life to the island, open new jobs and attract new people to come live there. Because of the planned development and increase of the population, energy projects, planned as a support to sustainable development, and later achievement of the energy self-sufficiency, is described in this paper. Therefore, Rewisland methodology appliance is described taking into the account three possible scenarios of energy development. Each scenario is calculated until year 2030. Also, what is taken into the account is 100% usage of renewable sources of energy in 2030. Scenario PTV, PP, EE - This scenario includes installation of solar photovoltaic modules and solar thermal collectors on the buildings roofs, as well as well as implementation of energy efficiency on the island (replacement of the street light bulbs with LED lightning, replacement of the old windows and doors on the houses, as well as the installation of the thermal insulation). Scenario PV island - This scenario, similarly to the previous one, includes installation of solar photovoltaic modules and solar thermal collectors an the residential buildings, as well as the 2 MW photovoltaic power plant and ''Green Hotel'', a building that satisfies all of its energy needs completely from renewable energy sources

Photo catalytic reduction of benzophenone on TiO{sub 2}: Effect of preparation method and reaction conditions

Energy Technology Data Exchange (ETDEWEB)

Albiter E, E.; Valenzuela Z, M. A.; Alfaro H, S.; Flores V, S. O.; Rios B, O.; Gonzalez A, V. J.; Cordova R, I., E-mail: mavalenz@ipn.m [IPN, Escuela Superior de Ingenieria Quimica e Industrias Extractivas, Laboratorio de Catalisis y Materiales, Zacatenco, 07738 Mexico D. F. (Mexico)

2010-07-01

The photo catalytic reduction of benzophenone was studied focussing on improving the yield to benzhydrol. TiO{sub 2} was synthesized by means of a hydrothermal technique. TiO{sub 2} (Degussa TiO{sub 2}-P25) was used as a reference. Catalysts were characterized by X-ray diffraction and nitrogen physisorption. The photo catalytic reduction was carried out in a batch reactor at 25 C under nitrogen atmosphere, acetonitrile as solvent and isopropanol as electron donor. A 200 W Xe-Hg lamp ({lambda}= 360 nm) was employed as irradiation source. The chemical composition of the reaction system was determined by HPLC. Structural and textural properties of the synthesized TiO{sub 2} depended on the type of acid used during sol formation step. Using HCl, a higher specific surface area and narrower pore size distribution of TiO{sub 2} was obtained in comparison with acetic acid. As expected, the photochemical reduction of benzophenone yielded benzopinacol as main product, whereas, benzhydrol is only produced in presence of TiO{sub 2} (i.e. photo catalytic route). In general, the hydrothermally synthesized catalysts were less active and with a lower yield to benzhydrol. The optimal reaction conditions to highest values of benzhydrol yield (70-80%) were found at 2 g/L (catalyst loading) and 0.5 m M of initial concentration of benzophenone, using commercial TiO{sub 2}-P25. (Author)

Dynamic thermal reaction analysis of wall structures in various cooling operation conditions

International Nuclear Information System (INIS)

Yan, Biao; Long, Enshen; Meng, Xi

2015-01-01

Highlights: • Four different envelop structures are separately built in the same test building. • Cooling temperature and operation time were chosen as perturbations. • State Space Method is used to analyze the influence of wall sequence order. • The numerical models are validated by the comparisons of theory and test results. • The contrast of temperature change of different envelop structures was stark. - Abstract: This paper proposes a methodology of performance assessing of envelops under different cooling operation conditions, by focusing on indoor temperature change and dynamic thermal behavior performance of walls. To obtain a general relationship between the thermal environment change and the reaction of envelop, variously insulated walls made with the same insulation material are separately built in the same wall of a testing building with the four different structures, namely self-heat insulation (full insulation material), exterior insulation, internal insulation and intermediate insulation. The advantage of this setting is that the test targets are exposed to the same environmental variables, and the tests results are thus comparable. The target responses to two types of perturbations, cooling temperature and operation time were chosen as the important variations in the tests. Parameters of cooling set temperature of 22 °C and 18 °C, operation and restoring time 10 min and 15 min are set in the test models, and discussed with simulation results respectively. The results reveal that the exterior insulation and internal insulation are more sensitive to thermal environment change than self-heat insulation and intermediate insulation.

Intellectual Freedom and Economic Sufficiency as Educational Entitlements.

Science.gov (United States)

Morse, Jane Fowler

2001-01-01

Using the theories of John Stuart Mill and Karl Marx, this article supports the educational entitlements of intellectual freedom and economic sufficiency. Explores these issues in reference to their implications for teaching, the teaching profession and its training. Concludes that ideas cannot be controlled by the interests of the dominant class.…

Is the precision of human radiation tolerance estimates sufficient for radiation emergency management

International Nuclear Information System (INIS)

Lushbaugh, C.C.; Huebner, K.F.; Fry, S.A.; Ricks, R.C.

1982-01-01

Retrospective clinical evaluations of the deleterious consequences of accidental and therapeutic radiation exposures have provided working estimates of human radiation tolerance of variable accuracy. Their inaccuracy results from the fact that in accidents, where normal persons have been irradiated, doses have usually been unknown, whereas in radiotherapy, where doses are known precisely, the additivity of various diseases and cellular abnormalities upon final radiosensitivity remains largely unknown. Even so, from follow-up studies of radiation-accident victims, human radiation biology is not known to be qualitatively different from that of other animals and so the mechanisms of human radiation lethality are sufficiently understood to dictate therapeutic measures and suggest radiation dosage limits for their effectiveness for a few irradiated patients or where large populations are exposed under austere conditions. (author)

Necessary and sufficient conditions for the ergodicity of Markov chains with transition Δm,n(Δ′m,n-matrix

Directory of Open Access Journals (Sweden)

A. Dukhovny

1987-01-01

Full Text Available This paper isolates and studies a class of Markov chains with a special quasi-triangular form of the transition matrix [so-called Δm,n(Δ′m,n-matrix]. Many discrete stochastic processes encountered in applications (queues, inventories and dams have transition matrices which are special cases of a Δm,n(Δ′m,n-matrix. Necessary and sufficient conditions for the ergodicity of a Markov chain with transition Δm,n(Δ′m,n-matrix are determined in the article in two equivalent versions. According to the first version, these conditions are expressed in terms of certain restrictions imposed on the generating functions Ai(x of the elements of the i-th row of the transition matrix, i=0,1,2,…; in the other version they are connected with the characterization of the roots of a certain associated function in the unit circle of the complex plane. Results obtained in the article generalize, complement, and refine similar results existing in the literature.

[The role of the working conditions in shaping the specific and nonspecific body reactions of miners in vibration-hazardous jobs].

Science.gov (United States)

Lastkov, D O

1998-08-01

An analysis was carried out of bodily functional status in miners engaged in basic mining occupations with known vibration-related health hazards (coal hewers, drifters), presenting with different stages of vibration pathology. Patterns were ascertained of chief components of both specific and unspecific bodily systemic reactions to a combined action of physical industrial factors (vibration, noise, dust, heating, microclimate). Important for those subjects engaged in occupations with vibration-related health threats are parameters characterizing labour conditions, such as, in the first place, integral-and-service duration-related exposure doses of industrial factors which are believed to be probabilistic risk factors for vibration pathology.

Synthesis of 1-amidoalkyl-2-naphthols based on a three-component reaction catalyzed by boric acid as a solid heterogeneous catalyst under solvent-free conditions

Directory of Open Access Journals (Sweden)

Zahed Karimi-Jaberi

2012-12-01

Full Text Available An efficient method for the preparation of 1-amidoalkyl-2-naphthols has been described using a multi-component, one-pot condensation reaction of 2-naphthol, aldehydes and amides in the presence of boric acid under solvent-free conditions.DOI: http://dx.doi.org/10.4314/bcse.v26i3.18

Photon Energy Threshold in Direct Photocatalysis with Metal Nanoparticles: Key Evidence from the Action Spectrum of the Reaction.

Science.gov (United States)

Sarina, Sarina; Jaatinen, Esa; Xiao, Qi; Huang, Yi Ming; Christopher, Philip; Zhao, Jin Cai; Zhu, Huai Yong

2017-06-01

By investigating the action spectra (the relationship between the irradiation wavelength and apparent quantum efficiency of reactions under constant irradiance) of a number of reactions catalyzed by nanoparticles including plasmonic metals, nonplasmonic metals, and their alloys at near-ambient temperatures, we found that a photon energy threshold exists in each photocatalytic reaction; only photons with sufficient energy (e.g., higher than the energy level of the lowest unoccupied molecular orbitals) can initiate the reactions. This energy alignment (and the photon energy threshold) is determined by various factors, including the wavelength and intensity of irradiation, molecule structure, reaction temperature, and so forth. Hence, distinct action spectra were observed in the same type of reaction catalyzed by the same catalyst due to a different substituent group, a slightly changed reaction temperature. These results indicate that photon-electron excitations, instead of the photothermal effect, play a dominant role in direct photocatalysis of metal nanoparticles for many reactions.

Study of the properties of self-sustaining nuclear chain reaction in the fuel-containing masses of the "Ukryttya" object for the case of varying velocity of water inflow

Directory of Open Access Journals (Sweden)

V. A. Babenko

2018-03-01

Full Text Available The main peculiarities of ignition and development of self-sustaining nuclear chain reaction (SCR in fuel-containing masses (FCM of Chernobyl "Ukryttya" were studied for the case of varying velocity of water incoming into the system or its outcoming. On the basis of analysis and numerical solution of the corresponding system of differential equations for the main characteristics of the system, it was shown that the variations of water inflow could lead to very sufficient and various changes in SCR development comparing to possible modes at constant velocities of water inflow. In particular, the calculations show that the neutron bursts with great amplitude could take place in the system under definite sufficiently reasonable physical conditions. It was also shown that the increase of velocity of water inflow into the FCM in the mode of constant oscillations can lead to transition into "beyond critical" state which is the subcritical state with big quantity of water.

Rule-Based Event Processing and Reaction Rules

Science.gov (United States)

Paschke, Adrian; Kozlenkov, Alexander

Reaction rules and event processing technologies play a key role in making business and IT / Internet infrastructures more agile and active. While event processing is concerned with detecting events from large event clouds or streams in almost real-time, reaction rules are concerned with the invocation of actions in response to events and actionable situations. They state the conditions under which actions must be taken. In the last decades various reaction rule and event processing approaches have been developed, which for the most part have been advanced separately. In this paper we survey reaction rule approaches and rule-based event processing systems and languages.

The hexadehydro-Diels-Alder reaction.

Science.gov (United States)

Hoye, Thomas R; Baire, Beeraiah; Niu, Dawen; Willoughby, Patrick H; Woods, Brian P

2012-10-11

Arynes (aromatic systems containing, formally, a carbon-carbon triple bond) are among the most versatile of all reactive intermediates in organic chemistry. They can be 'trapped' to give products that are used as pharmaceuticals, agrochemicals, dyes, polymers and other fine chemicals. Here we explore a strategy that unites the de novo generation of benzynes-through a hexadehydro-Diels-Alder reaction-with their in situ elaboration into structurally complex benzenoid products. In the hexadehydro-Diels-Alder reaction, a 1,3-diyne is engaged in a [4+2] cycloisomerization with a 'diynophile' to produce the highly reactive benzyne intermediate. The reaction conditions for this simple, thermal transformation are notable for being free of metals and reagents. The subsequent and highly efficient trapping reactions increase the power of the overall process. Finally, we provide examples of how this de novo benzyne generation approach allows new modes of intrinsic reactivity to be revealed.

Food Protein-polysaccharide Conjugates Obtained via the Maillard Reaction: A Review.

Science.gov (United States)

de Oliveira, Fabíola Cristina; Coimbra, Jane Sélia Dos Reis; de Oliveira, Eduardo Basílio; Zuñiga, Abraham Damian Giraldo; Rojas, Edwin E Garcia

2016-05-18

The products formed by glycosylation of food proteins with carbohydrates via the Maillard reaction, also known as conjugates, are agents capable of changing and improving techno-functional characteristics of proteins. The Maillard reaction uses the covalent bond between a group of a reducing carbohydrates and an amino group of a protein. This reaction does not require additional chemicals as it occurs naturally under controlled conditions of temperature, time, pH, and moisture. Moreover, there is growing interest in modifying proteins for industrial food applications. This review analyses the current state of art of the Maillard reaction on food protein functionalities. It also discusses the influence of the Maillard reaction on the conditions and formulation of reagents that improve desirable techno-functional characteristics of food protein.

Computer simulation of the steam--graphite reaction under isothermal and steady-state conditions

International Nuclear Information System (INIS)

Joy, D.S.; Stem, S.C.

1975-05-01

A mathematical model was formulated to describe the isothermal, steady-state diffusion and reaction of steam in a graphite matrix. A generalized Langmuir-Hinshelwood equation is used to represent the steam-graphite reaction rate. The model also includes diffusion in the gas phase adjacent to the graphite matrix. A computer program, written to numerically integrate the resulting differential equations, is described. The coupled nonlinear differential equations in the graphite phase are solved using the IBM Continuous System Modeling Program. Classical finite difference techniques are used for the gas-phase calculations. An iterative procedure is required to couple the two sets of calculations. Several sample problems are presented to demonstrate the utility of the model. (U.S.)

Neutron-deuteron elastic scattering and breakup reactions below 20 MeV

Energy Technology Data Exchange (ETDEWEB)

Howell, C.R.; Tornow, W.; Pfuetzner, H.G.; Roberts, M.L.; Murphy, K.; Felsher, P.D.; Weisel, G.J.; Mertens, G.; Walter, R.L. (Duke Univ. and Triangle Universities Nuclear Lab., Durham, NC (USA)); Lambert, J.M.; Treado, P.A. (Physics Dept., Georgetown Univ., Washington, DC (USA)); Slaus, I. (Rudjer Boskovic Inst., Zagreb (Yugoslavia))

1991-05-01

In this paper we review the results of a series of high-accuracy measurements on the neutron-deuteron (n-d) scattering system at incident neutron energies below 20 MeV. These measurements were designed to: 1) provide data of sufficient accuracy to be used to refine the parametrization of the nucleon-nucleon force, 2) to test the reaction dynamics in the ''rigorous'' calculations of three-nucleon (3N) breakup reactions, and 3) identify 3N scattering observables that are specifically sensitive to three-nucleus forces and/or off-shell effects. At TUNL we have measured vector analyzing powers A{sub y}({theta}) for n-d elastic scattering and the breakup reaction to an accuracy better than {+-}0.005 and {+-}0.020, respectively. Recent results on items 1) and 2) will be presented. Also, results of cross-section measurements for n-d and p-d breakup will be compared to a ''rigorous'' 3N calculation. (orig.).

Neutron-deuteron elastic scattering and breakup reactions below 20 MeV

International Nuclear Information System (INIS)

Howell, C.R.; Tornow, W.; Pfuetzner, H.G.; Roberts, M.L.; Murphy, K.; Felsher, P.D.; Weisel, G.J.; Mertens, G.; Walter, R.L.; Lambert, J.M.; Treado, P.A.; Slaus, I.

1991-01-01

In this paper we review the results of a series of high-accuracy measurements on the neutron-deuteron (n-d) scattering system at incident neutron energies below 20 MeV. These measurements were designed to: 1) provide data of sufficient accuracy to be used to refine the parametrization of the nucleon-nucleon force, 2) to test the reaction dynamics in the ''rigorous'' calculations of three-nucleon (3N) breakup reactions, and 3) identify 3N scattering observables that are specifically sensitive to three-nucleus forces and/or off-shell effects. At TUNL we have measured vector analyzing powers A y (θ) for n-d elastic scattering and the breakup reaction to an accuracy better than ±0.005 and ±0.020, respectively. Recent results on items 1) and 2) will be presented. Also, results of cross-section measurements for n-d and p-d breakup will be compared to a ''rigorous'' 3N calculation. (orig.)

Electrochemical reaction rates in a dye-sensitised solar cell - the iodide/tri-iodide redox system

DEFF Research Database (Denmark)

Bay, L.; West, K.; Winther-Jensen, B.

2006-01-01

The electrochemical reaction rate of the redox couple iodide/tri-iodide in acetonitrile is characterised by impedance spectroscopy. Different electrode materials relevant for the function of dye-sensitised solar cells (DSSC) are investigated. Preferably, the reaction with the iodide....../tri-iodide couple should be fast at the counter electrode, i.e. this electrode must have a high catalytic activity towards the redox couple, and the same reaction must be slow on the photo electrode. The catalytic activity is investigated for platinum, poly(3,4-ethylenedioxythiophene) (PEDOT), polypyrrole (PPy......), and polyaniline (PANI)-all deposited onto fluorine-doped tin oxide (FTO) glass. Both Pt and PEDOT are found to have sufficiently high catalytic activities for practical use as counter electrodes in DSSC. The reaction resistance on FTO and anatase confirmed the beneficial effect of a compact anatase layer on top...

Electrochemical reaction rates in a dye sentisised solar cell - the iodide/tri-iodide redox system

DEFF Research Database (Denmark)

Bay, Lasse; West, Keld; Winter-Jensen, Bjørn

2006-01-01

The electrochemical reaction rate of the redox couple iodide / tri-iodide in acetonitrile is characterised by impedance spectroscopy. Different electrode materials relevant for the function of dye-sensitised solar cells (DSSC) are investigated. Preferably, the reaction with the iodide / tri......-iodide couple should be fast at the counter electrode, i.e. this electrode must have a high catalytic activity towards the redox couple, and the same reaction must be slow on the photo electrode. The catalytic activity is investigated for platinum, poly(3,4-ethylenedioxythiophene) (PEDOT), polypyrrole (PPy......), and polyaniline (PANI) - all deposited onto fluorine doped tin oxide (FTO) glass. Both Pt and PEDOT are found to have sufficiently high catalytic activities for practical use as counter electrode in DSSC. The reaction resistance on FTO and anatase confirmed the beneficial effect of a compact anatase layer on top...

Redox self-sufficient whole cell biotransformation for amination of alcohols.

Science.gov (United States)

Klatte, Stephanie; Wendisch, Volker F

2014-10-15

Whole cell biotransformation is an upcoming tool to replace common chemical routes for functionalization and modification of desired molecules. In the approach presented here the production of various non-natural (di)amines was realized using the designed whole cell biocatalyst Escherichia coli W3110/pTrc99A-ald-adh-ta with plasmid-borne overexpression of genes for an l-alanine dehydrogenase, an alcohol dehydrogenase and a transaminase. Cascading alcohol oxidation with l-alanine dependent transamination and l-alanine dehydrogenase allowed for redox self-sufficient conversion of alcohols to the corresponding amines. The supplementation of the corresponding (di)alcohol precursors as well as amino group donor l-alanine and ammonium chloride were sufficient for amination and redox cofactor recycling in a resting buffer system. The addition of the transaminase cofactor pyridoxal-phosphate and the alcohol dehydrogenase cofactor NAD(+) was not necessary to obtain complete conversion. Secondary and cyclic alcohols, for example, 2-hexanol and cyclohexanol were not aminated. However, efficient redox self-sufficient amination of aliphatic and aromatic (di)alcohols in vivo was achieved with 1-hexanol, 1,10-decanediol and benzylalcohol being aminated best. Copyright © 2014 Elsevier Ltd. All rights reserved.

CANDU: Meeting the demand for energy self-sufficiency

International Nuclear Information System (INIS)

Lawson, D.S.

1985-01-01

The success of the CANDU program can been seen quickly by examining the comparison of typical electricity bills in various provinces of Canada. The provinces of Quebec and Manitoba benefit b extensive hydro electric schemes, many of which were constructed years ago at low capital cost. In Ontario, the economic growth has outstripped these low cost sources of hydro power and hence the province has to rely on thermal sources of electricity generation. The success of the CANDU program is shown by the fact that it can contribute over a third of electricity in Ontario while keeping the total electricity rate comparable with that of those provinces that can rely on low cost hydro sources. Energy self-sufficiency encompasses a spectrum of requirements. One consideration would be the reliable supply and control of fuel during the operating life of a power plant: A greater degree of self-sufficiency would be obtained by having an involvement in the building and engineering of the power plant prior to its operation

Vaccine procurement and self-sufficiency in developing countries.

Science.gov (United States)

Woodle, D

2000-06-01

This paper discusses the movement toward self-sufficiency in vaccine supply in developing countries (and countries in transition to new economic and political systems) and explains special supply concerns about vaccine as a product class. It traces some history of donor support and programmes aimed at self-financing, then continues with a discussion about self-sufficiency in terms of institutional capacity building. A number of deficiencies commonly found in vaccine procurement and supply in low- and middle-income countries are characterized, and institutional strengthening with procurement technical assistance is described. The paper also provides information about a vaccine procurement manual being developed by the United States Agency for International Development (USAID) and the World Health Organization (WHO) for use in this environment. Two brief case studies are included to illustrate the spectrum of existing capabilities and different approaches to technical assistance aimed at developing or improving vaccine procurement capability. In conclusion, the paper discusses the special nature of vaccine and issues surrounding potential integration and decentralization of vaccine supply systems as part of health sector reform.

Information trimming: Sufficient statistics, mutual information, and predictability from effective channel states

Science.gov (United States)

James, Ryan G.; Mahoney, John R.; Crutchfield, James P.

2017-06-01

One of the most basic characterizations of the relationship between two random variables, X and Y , is the value of their mutual information. Unfortunately, calculating it analytically and estimating it empirically are often stymied by the extremely large dimension of the variables. One might hope to replace such a high-dimensional variable by a smaller one that preserves its relationship with the other. It is well known that either X (or Y ) can be replaced by its minimal sufficient statistic about Y (or X ) while preserving the mutual information. While intuitively reasonable, it is not obvious or straightforward that both variables can be replaced simultaneously. We demonstrate that this is in fact possible: the information X 's minimal sufficient statistic preserves about Y is exactly the information that Y 's minimal sufficient statistic preserves about X . We call this procedure information trimming. As an important corollary, we consider the case where one variable is a stochastic process' past and the other its future. In this case, the mutual information is the channel transmission rate between the channel's effective states. That is, the past-future mutual information (the excess entropy) is the amount of information about the future that can be predicted using the past. Translating our result about minimal sufficient statistics, this is equivalent to the mutual information between the forward- and reverse-time causal states of computational mechanics. We close by discussing multivariate extensions to this use of minimal sufficient statistics.

Thermodynamic analysis of dust sulphation reactions

Energy Technology Data Exchange (ETDEWEB)

Yang Yongxiang; Jokilaakso, A.

1997-12-31

Sulphation reactions of metal oxides with SO{sub 2} and O. or SO{sub 3} play significant roles in sulphation roasting of sulphide and oxide minerals as well as in desulphurisation process of combustion gases. In metallurgical waste-heat boilers for sulphide smelting, the sulphation of the oxidic flue dust in the atmosphere containing sulphur oxides is an unavoidable process, and the sulphation reactions have to be guided in a controlled way in the proper parts of the gas handling equipment. In this report, some thermodynamic analyses were conducted for the oxide sulphation reactions in relation to sulphide smelting processes. The phase stability of Me-S-O systems especially for oxides - sulphates equilibrium was studied under different thermodynamic conditions of gas compositions and temperatures. The sulphate stability was analysed for an example of gas compositions in the copper flash smelter of Outokumpu Harjavalta Metals Oy, in relation to temperature. In the report, most of the information was from literature. Moreover, a number of thermodynamic computations were carried out with the HSC program, and the constructed phase stability diagrams were compared with those from the literature whenever possible. The maximum temperatures for stable sulphates under normal operating conditions of the waste-heat boilers in sulphide smelting processes were obtained. This report will serve as the basis for the kinetic studies of the sulphation reactions and the sulphation reaction modelling in pyrometallurgical processes. (orig.) SULA 2 Programme. 36 refs.

Statistical formulation of gravitational radiation reaction

International Nuclear Information System (INIS)

Schutz, B.F.

1980-01-01

A new formulation of the radiation-reaction problem is proposed, which is simpler than alternatives which have been used before. The new approach is based on the initial-value problem, uses approximations which need be uniformly valid only in compact regions of space-time, and makes no time-asymmetric assumptions (no a priori introduction of retarded potentials or outgoing-wave asymptotic conditions). It defines radiation reaction to be the expected evolution of a source obtained by averaging over a statistical ensemble of initial conditions. The ensemble is chosen to reflect one's complete lack of information (in real systems) about the initial data for the radiation field. The approach is applied to the simple case of a weak-field, slow-motion source in general relativity, where it yields the usual expressions for radiation reaction when the gauge is chosen properly. There is a discussion of gauge freedom, and another of the necessity of taking into account reaction corrections to the particle-conservation equation. The analogy with the second law of thermodynamics is very close, and suggests that the electromagnetic and thermodynamic arrows of time are the same. Because the formulation is based on the usual initial-value problem, it has no spurious ''runaway'' solutions

Insights into the mechanisms on chemical reactions: reaction paths for chemical reactions

International Nuclear Information System (INIS)

Dunning, T.H. Jr.; Rosen, E.; Eades, R.A.

1987-01-01

We report reaction paths for two prototypical chemical reactions: Li + HF, an electron transfer reaction, and OH + H 2 , an abstraction reaction. In the first reaction we consider the connection between the energetic terms in the reaction path Hamiltonian and the electronic changes which occur upon reaction. In the second reaction we consider the treatment of vibrational effects in chemical reactions in the reaction path formalism. 30 refs., 9 figs

Loads on small muscle groups as a risk of hypertensive conditions

Directory of Open Access Journals (Sweden)

Olga G. Kourova

2017-12-01

Full Text Available Background ― Hypertension is a widespread condition nowadays. Changes in physical activity patterns of the population, namely, sedentary lifestyle and increased loads on small muscle groups, are the key factors behind the development of hypertension. Although science has amassed sufficient amounts of facts about a hypertensive effect of local loads, the very mechanisms underlying adaptive reactions of the circulatory system have not received comprehensive study. Material and Methods ― We studied adaptive reactions to local muscle work in 108 adult subjects groups aged between 18 and 20, 30 and 35, and 60 and 74 respectively by means of a Mosso’s ergograph until the onset of fatigue with all the three age groups receiving medium loads. We have analyzed their work performance, including static and dynamic stamina. We took blood pressure measurements, electrocardiograms (ECGs and electroencephalograms (EEGs before and after the test. Results ― We discovered increased heartbeat rates, systolic blood pressure, and diastolic blood pressure in all of the subjects, as they were doing local load tests, while their ECGs showed shortened electric diastole time, which was indicative of heart functional tension, especially in the subjects aged between 18 and, and 60 and 74. Adverse heart reactions were more pronounced while the subjects were doing static tests rather than dynamic tests, and their EEGs showed increased slow-wave activity within alpha- and theta-ranges, with regularly recurrent alpha wave synchronizations. Conclusion ― Our research shows that central mechanisms underlie hypertensive reactions of the cardiovascular system to local loads with the participation of metabolic receptors of muscles. We have also justified the necessity of preventive campaigns against hypertensions in individuals receiving increased amounts of local muscle work in the motor mode.

Hemoglobin redox reactions and red blood cell aging.

Science.gov (United States)

Rifkind, Joseph M; Nagababu, Enika

2013-06-10

The physiological mechanism(s) for recognition and removal of red blood cells (RBCs) from circulation after 120 days of its lifespan is not fully understood. Many of the processes thought to be associated with the removal of RBCs involve oxidative stress. We have focused on hemoglobin (Hb) redox reactions, which is the major source of RBC oxidative stress. The importance of Hb redox reactions have been shown to originate in large parts from the continuous slow autoxidation of Hb producing superoxide and its dramatic increase under hypoxic conditions. In addition, oxidative stress has been shown to be associated with redox reactions that originate from Hb reactions with nitrite and nitric oxide (NO) and the resultant formation of highly toxic peroxynitrite when NO reacts with superoxide released during Hb autoxidation. The interaction of Hb, particularly under hypoxic conditions with band 3 of the RBC membrane is critical for the generating the RBC membrane changes that trigger the removal of cells from circulation. These changes include exposure of antigenic sites, increased calcium leakage into the RBC, and the resultant leakage of potassium out of the RBC causing cell shrinkage and impaired deformability. The need to understand the oxidative damage to specific membrane proteins that result from redox reactions occurring when Hb is bound to the membrane. Proteomic studies that can pinpoint the specific proteins damaged under different conditions will help elucidate the cellular aging processes that result in cells being removed from circulation.

Astrophysical Nuclear Reaction Rates in the Dense Metallic Environments

Science.gov (United States)

Kilic, Ali Ihsan

2017-09-01

Nuclear reaction rates can be enhanced by many orders of magnitude in dense and relatively cold astrophysical plasmas such as in white dwarfs, brown dwarfs, and giant planets. Similar conditions are also present in supernova explosions where the ignition conditions are vital for cosmological models. White dwarfs are compact objects that have both extremely high interior densities and very strong local magnetic fields. For the first time, a new formula has been developed to explain cross section and reaction rate quantities for light elements that includes not only the nuclear component but also the material dependence, magnetic field, and crystal structure dependency in dense metallic environments. I will present the impact of the developed formula on the cross section and reaction rates for light elements. This could have possible technological applications in energy production using nuclear fusion reactions.

Generation and scaling behaviour of high-energy pions in relativistic heavy ion reactions

International Nuclear Information System (INIS)

Riess, F.

1979-12-01

Calculations with the help of a collision approximation as carried out in this study, are certainly linked with many uncertainties. The different forms of pulse distributions and cross sections used cover however such a broad region of possibilities, that even detailed calculations will not give any results essentially deviating from those obtained here. The various assumptions and statements could be relatively easily investigated using the collision approximation. Hence the above-mentioned aim, to pick out the principal information from the statement is achieved. It was shown that taking the two assumptions - nucleon-nucleon collisions only and - consideration of a cluster effect, in both cases the experimental results for a given reaction can be well reproduced as long as one only regards one projectile energy. It is important in the first case that the pulse distribution in the region of 0,5 to 1 GeV/c contains sufficiently large components - a simple Gauss distribution with a 'normal' parameter from nuclean physics is not sufficient here. The cluster statement provides the high-energy pions through the changed kinematics, compared to pure nucleon-nucleon collisions, and through the greater energy provided by a cluster in the reaction. (orig./HSI) [de

The reaction between iodine and organic coatings under severe PWR accident conditions. An experimental parameter study

Energy Technology Data Exchange (ETDEWEB)

Hellmann, S; Funke, F; Greger, G U; Bleier, A; Morell, W [Siemens AG, Power Generation Group, Erlangen (Germany)

1996-12-01

An extensive experimental parameter study was performed on the deposition and on the resuspension kinetics in the reaction system iodine/organically coated surfaces. Both reactions in the gas phase and in the liquid phase were investigated and kinetic rate constants suitable for modelling were derived. Previous experimental studies on the reaction of iodine with organic coated surfaces were mostly limited to temperatures below 100{sup o}C. Thus, this parameter study aims at filling a gap and providing kinetic data on heterogeneous reactions with organic surfaces in the accident-relevant temperature range of 100-160{sup o}C. Two types of laboratory experiments carried out at Siemens/KWU using coatings representative for German power plants (epoxy-tape paint), namely gas phase tests and liquid phase tests. (author) 6 figs., 6 tabs., 5 refs.

Quantum dynamics of the Eley-Rideal hydrogen formation reaction on graphite at typical interstellar cloud conditions.

Science.gov (United States)

Casolo, Simone; Martinazzo, Rocco; Bonfanti, Matteo; Tantardini, Gian Franco

2009-12-31

Eley-Rideal formation of hydrogen molecules on graphite, as well as competing collision induced processes, are investigated quantum dynamically at typical interstellar cloud conditions, focusing in particular on gas-phase temperatures below 100 K, where much of the chemistry of the so-called diffuse clouds takes place on the surface of bare carbonaceous dust grains. Collisions of gas-phase hydrogen atoms with both chemisorbed and physisorbed species are considered using available potential energy surfaces (Sha et al., J. Chem. Phys.2002 116, 7158), and state-to-state, energy-resolved cross sections are computed for a number of initial vibrational states of the hydrogen atoms bound to the surface. Results show that (i) product molecules are internally hot in both cases, with vibrational distributions sharply peaked around few (one or two) vibrational levels, and (ii) cross sections for chemisorbed species are 2-3x smaller than those for physisorbed ones. In particular, we find that H(2) formation cross sections out of chemically bound species decrease steadily when the temperature drops below approximately 1000 K, and this is likely due to a quantum reflection phenomenon. This suggests that such Eley-Rideal reaction is all but efficient in the relevant gas-phase temperature range, even when gas-phase H atoms happen to chemisorb barrierless to the surface as observed, e.g., for forming so-called para dimers. Comparison with results from classical trajectory calculations highlights the need of a quantum description of the dynamics in the astrophysically relevant energy range, whereas preliminary results of an extensive first-principles investigation of the reaction energetics reveal the importance of the adopted substrate model.

Online monitoring of chemical reactions by polarization-induced electrospray ionization.

Science.gov (United States)

Meher, Anil Kumar; Chen, Yu-Chie

2016-09-21

Polarization-induced electrospray ionization (PI-ESI) is a simple technique for instant generation of gas-phase ions directly from a microliter-sized droplet for mass spectrometric analysis. A sample droplet was placed over a dielectric substrate and in proximity (2-3 mm) to the inlet of a mass spectrometer. Owing to the polarization effect induced by the high electric field provided by the mass spectrometer, the droplet was polarized and the electrospray was generated from the apex of the droplet. The polarization-induced electrospray could last for tens of seconds, which was sufficiently long to monitor fast reactions occurring within few seconds. Thus, we demonstrated the feasibility of using the droplet-based PI-ESI MS for the online monitoring of fast reactions by simply mixing two droplets (5-10 μL) containing reactants on a dielectric substrate placed in front of a mass spectrometer applied with a high voltage (-4500 V). Schiff base reactions and oxidation reactions that can generate intermediates/products within a few seconds were selected as the model reactions. The ionic reaction species generated from intermediates and products can be simultaneously monitored by PI-ESI MS in real time. We also used this approach to selectively detect acetone from a urine sample, in which acetone was derivatized in situ. In addition, the possibility of using this approach for quantitative analysis of acetone from urine samples was examined. Copyright © 2016 Elsevier B.V. All rights reserved.

Copper-catalyzed oxidative Heck reactions between alkyltrifluoroborates and vinyl arenes.

Science.gov (United States)

Liwosz, Timothy W; Chemler, Sherry R

2013-06-21

We report herein that potassium alkyltrifluoroborates can be utilized in oxidative Heck-type reactions with vinyl arenes. The reaction is catalyzed by a Cu(OTf)2/1,10-phenanthroline with MnO2 as the stoichiometric oxidant. In addition to the alkyl Heck, amination, esterification, and dimerization reactions of alkyltrifluoroborates are demonstrated under analogous reaction conditions. Evidence for an alkyl radical intermediate is presented.

Piper-betle-shaped nano-S-catalyzed synthesis of 1-amidoalkyl-2-naphthols under solvent-free reaction condition: a greener "nanoparticle-catalyzed organic synthesis enhancement" approach.

Science.gov (United States)

Das, Vijay K; Borah, Madhurjya; Thakur, Ashim J

2013-04-05

Nano-S prepared by an annealing process showed excellent catalytic activity for the synthesis of 1-amidoalkyl-2-naphthols under solvent-free reaction condition at 50 °C. The catalyst could be reused up to the fifth cycle without loss in its action. The green-ness of the present protocol was also measured using green metrics drawing its superiority.

Towards preparative peroxygenase-catalyzed oxyfunctionalization reactions in organic media

NARCIS (Netherlands)

Fernandez Fueyo, E.; Ni, Y.; Gomez Baraibar, A.; Alcalde, Miguel; van Langen, L.M.; Hollmann, F.

2016-01-01

The peroxygenase from Agrocybe aegerita (AaeUPO) has been evaluated for stereoselective oxyfunctionalization chemistry under non-aqueous reaction conditions. The stereoselective hydroxylation of ethylbenzene to (R)-1-phenylethanol was performed in neat substrate as reaction medium together with

Effects of network dissolution changes on pore-to-core upscaled reaction rates for kaolinite and anorthite reactions under acidic conditions

KAUST Repository

Kim, Daesang; Lindquist, W. Brent

2013-01-01

new connections. The computed changes were based upon a mineral map from an X-ray computed tomography image of a sandstone core. We studied the effect of these changes on upscaled (pore-scale to core-scale) reaction rates and compared against

No Evidence of Reaction Time Slowing in Autism Spectrum Disorder

Science.gov (United States)

Ferraro, F. Richard

2016-01-01

A total of 32 studies comprising 238 simple reaction time and choice reaction time conditions were examined in individuals with autism spectrum disorder (n?=?964) and controls (n?=?1032). A Brinley plot/multiple regression analysis was performed on mean reaction times, regressing autism spectrum disorder performance onto the control performance as…

Modeling of uncertainties in biochemical reactions.

Science.gov (United States)

Mišković, Ljubiša; Hatzimanikatis, Vassily

2011-02-01

Mathematical modeling is an indispensable tool for research and development in biotechnology and bioengineering. The formulation of kinetic models of biochemical networks depends on knowledge of the kinetic properties of the enzymes of the individual reactions. However, kinetic data acquired from experimental observations bring along uncertainties due to various experimental conditions and measurement methods. In this contribution, we propose a novel way to model the uncertainty in the enzyme kinetics and to predict quantitatively the responses of metabolic reactions to the changes in enzyme activities under uncertainty. The proposed methodology accounts explicitly for mechanistic properties of enzymes and physico-chemical and thermodynamic constraints, and is based on formalism from systems theory and metabolic control analysis. We achieve this by observing that kinetic responses of metabolic reactions depend: (i) on the distribution of the enzymes among their free form and all reactive states; (ii) on the equilibrium displacements of the overall reaction and that of the individual enzymatic steps; and (iii) on the net fluxes through the enzyme. Relying on this observation, we develop a novel, efficient Monte Carlo sampling procedure to generate all states within a metabolic reaction that satisfy imposed constrains. Thus, we derive the statistics of the expected responses of the metabolic reactions to changes in enzyme levels and activities, in the levels of metabolites, and in the values of the kinetic parameters. We present aspects of the proposed framework through an example of the fundamental three-step reversible enzymatic reaction mechanism. We demonstrate that the equilibrium displacements of the individual enzymatic steps have an important influence on kinetic responses of the enzyme. Furthermore, we derive the conditions that must be satisfied by a reversible three-step enzymatic reaction operating far away from the equilibrium in order to respond to

Reaction mechanism of reductive decomposition of FGD gypsum with anthracite

International Nuclear Information System (INIS)

Zheng, Da; Lu, Hailin; Sun, Xiuyun; Liu, Xiaodong; Han, Weiqing; Wang, Lianjun

2013-01-01

Highlights: • The reaction mechanism was different if the molar ratio of C/CaSO 4 was different. • The yield of CaO rises with an increase in temperature. • The optimal ratio of C/CaSO 4 = 1.2:1. • The decomposition process is mainly apparent solid–solid reaction with liquid-phase involved. - Abstract: The process of decomposition reaction between flue gas desulfurization (FGD) gypsum and anthracite is complex, which depends on the reaction conditions and atmosphere. In this study, thermogravimetric analysis with Fourier transform infrared spectroscopy (TGA-FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM) and the experiment in a tubular reactor were used to characterize the decomposition reaction in a nitrogen atmosphere under different conditions. The reaction mechanism analysis showed that the decomposition reaction process and mechanism were different when the molar proportion of C/CaSO 4 was changed. The experiment results showed that appropriate increase in the C/CaSO 4 proportion and higher temperatures were suitable for the formation of the main production of CaO, which can help us to understand the solid state reaction mechanism better. Via kinetic analysis of the reaction between anthracite and FGD gypsum under the optimal molar ratio of C/CaSO 4 , the mechanism model of the reaction was confirmed and the decomposition process was a two-step reaction which was in accordance with apparent solid–solid reaction

FOOD SELF-SUFFICIENCY OF THE EUROPEAN UNION COUNTRIES – ENERGETIC APPROACH

Directory of Open Access Journals (Sweden)

Arkadiusz Sadowski

2016-06-01

Full Text Available The paper covers the issues of a basic social need, namely alimentation. The aim of the research is to evaluate the energetic food self-sufficiency and its changes in the European Union countries. The research has been conducted using the author’s methodology basing on the amount of energy produced and consumed in 1990-2009. The analyses proved that within the considered period, the European Union became an importer of net energy comprised in agricultural products. The excess in produced energy was mainly observed by the countries of European lowland. Moreover in most of the countries, a decrease in the analyzed factor was observed when compared with the 1990-1999 period. On the other hand, in relation to the new member states the increase in food energetic self-sufficiency was observed. The conclusion has been drawn that, while the general food self-sufficiency is mainly determined by environmental factors, its dynamics is primarily influenced by the factors connected with agricultural policy.

Studies of complex fragment emission in heavy ion reactions

International Nuclear Information System (INIS)

Sobotka, L.G.

1989-01-01

The production of large fragments, fragments with mass between light particles and fission fragments, in intermediate and high energy nuclear reactions has fostered the proposal of a number of novel reaction mechanisms. These include liquid-vapor equilibrium and nuclear shattering. Temporarily left in the wake of these exciting proposed mechanisms was the old standard, statistical decay of compound nuclei. To be sure, the standard treatment of compound nucleus decay did not deal with large fragment production. However, this omission was not due to any fundamental deficiency of statistical models, but rather an uncertainty concerning exactly how to splice large fragment emission into statistical models. A large portion of our program deals with this problem. Specifically, by studying the yields of large fragments produced in sufficiently low energy reactions we are attempting to deduce the asymmetry and l-wave dependence of large fragment emission from compound nuclear intermediates. This, however, is only half of the problem. Since the novel mechanisms proposed for large fragment emission were spawned by intermediate and high energy reaction data, we must also realize the relevance of the compound nucleus mechanisms at high energies. It is not unreasonable to suspect that compound nucleus-like objects are formed with less than complete momentum transfer and perhaps less than complete mass transfer. Therefore the study of energy, mass, and angular momentum transfer in incomplete fusion and non-compound reactions. This thread joins the apparently divergent subjects covered in this report

On the identification of fractionally cointegrated VAR models with the F(d) condition

DEFF Research Database (Denmark)

Santucci de Magistris, Paolo; Carlini, Federico

for any choice of the lag-length when the true cointegration rank is known. The properties of these multiple non-identified models are studied and a necessary and sufficient condition for the identification of the fractional parameters of the system is provided. The condition is named F(d......). This is a generalization of the well-known I(1) condition to the fractional case. Imposing a proper restriction on the fractional integration parameter, d, is sufficient to guarantee identification of all model parameters and the validity of the F(d) condition. The paper also illustrates the indeterminacy between...

Reduction of nitrate and nitrite salts under hydrothermal conditions

International Nuclear Information System (INIS)

Foy, B.R.; Dell'Orco, P.C.; Wilmanns, E.; McInroy, R.; Ely, J.; Robinson, J.M.; Buelow, S.J.

1994-01-01

The feasibility of reducing nitrate/nitrite salts under hydrothermal conditions for the treatment of aqueous mixed wastes stored in the underground tanks at the Department of Energy site at Hanford, Washington was studied. The reduction of nitrate and nitrite salts by reaction with EDTA using a tank waste simulant was examined at temperatures between 623K and 800K and pressures between 0.6 and 1.2 kbar. Continuous flow reactors were used to determine kinetics and products of reactions. All reactions were studied under pressures high enough to produce single phase conditions. The reactions are rapid, go to completion in less than a minute, and produce simple products, such as carbonate, nitrogen, and nitrous oxide gases. The experimental results demonstrate the ability of chemical reactions under hydrothermal conditions to reduce the nitrate and nitrite salts and destroy organic compounds in the waste mixtures

Direct injection of superheated steam for continuous hydrolysis reaction

KAUST Repository

Wang, Weicheng

2012-09-01

The primary intent for previous continuous hydrolysis studies was to minimize the reaction temperature and reaction time. In this work, hydrolysis is the first step of a proprietary chemical process to convert lipids to sustainable, drop-in replacements for petroleum based fuels. To improve the economics of the process, attention is now focused on optimizing the energy efficiency of the process, maximizing the reaction rate, and improving the recovery of the glycerol by-product. A laboratory-scale reactor system has been designed and built with this goal in mind.Sweet water (water with glycerol from the hydrolysis reaction) is routed to a distillation column and heated above the boiling point of water at the reaction pressure. The steam pressure allows the steam to return to the reactor without pumping. Direct injection of steam into the hydrolysis reactor is shown to provide favorable equilibrium conditions resulting in a high quality of FFA product and rapid reaction rate, even without preheating the inlet water and oil and with lower reactor temperatures and lower fresh water demand. The high enthalpy of the steam provides energy for the hydrolysis reaction. Steam injection offers enhanced conditions for continuous hydrolysis of triglycerides to high-purity streams of FFA and glycerol. © 2012 Elsevier B.V.

Melanoidins extinction coefficient in the glucose/glycine Maillard reaction

NARCIS (Netherlands)

Martins, S.I.F.S.; Boekel, van M.A.J.S.

2003-01-01

Melanoidins (brown, nitrogenous polymers and co-polymers) are the final products of the Maillard reaction. The glucose/glycine melanoidins extinction coefficient was determined using C-14-labelled glucose at three different reaction conditions. The absorbance was measured at different wavelengths

Controlled nitric oxide production via O(1D) + N2O reactions for use in oxidation flow reactor studies

Science.gov (United States)

Lambe, Andrew; Massoli, Paola; Zhang, Xuan; Canagaratna, Manjula; Nowak, John; Daube, Conner; Yan, Chao; Nie, Wei; Onasch, Timothy; Jayne, John; Kolb, Charles; Davidovits, Paul; Worsnop, Douglas; Brune, William

2017-06-01

Oxidation flow reactors that use low-pressure mercury lamps to produce hydroxyl (OH) radicals are an emerging technique for studying the oxidative aging of organic aerosols. Here, ozone (O3) is photolyzed at 254 nm to produce O(1D) radicals, which react with water vapor to produce OH. However, the need to use parts-per-million levels of O3 hinders the ability of oxidation flow reactors to simulate NOx-dependent secondary organic aerosol (SOA) formation pathways. Simple addition of nitric oxide (NO) results in fast conversion of NOx (NO + NO2) to nitric acid (HNO3), making it impossible to sustain NOx at levels that are sufficient to compete with hydroperoxy (HO2) radicals as a sink for organic peroxy (RO2) radicals. We developed a new method that is well suited to the characterization of NOx-dependent SOA formation pathways in oxidation flow reactors. NO and NO2 are produced via the reaction O(1D) + N2O → 2NO, followed by the reaction NO + O3 → NO2 + O2. Laboratory measurements coupled with photochemical model simulations suggest that O(1D) + N2O reactions can be used to systematically vary the relative branching ratio of RO2 + NO reactions relative to RO2 + HO2 and/or RO2 + RO2 reactions over a range of conditions relevant to atmospheric SOA formation. We demonstrate proof of concept using high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) measurements with nitrate (NO3-) reagent ion to detect gas-phase oxidation products of isoprene and α-pinene previously observed in NOx-influenced environments and in laboratory chamber experiments.

HELP: a model for evaluating the feasibility of using various chemical reaction systems as electronic lasers

Energy Technology Data Exchange (ETDEWEB)

Herbelin, J M; Cohen, N

1975-09-01

An analytical model for estimating the minimum requirements of a chemically pumped electronic laser is developed. From a knowledge of the basic spectroscopic and thermodynamic properties of a particular reaction, the model can quickly classify the system in accordance with the feasibility of generating stimulated emission at different possible wavelengths. Sample calculations of the reactions of barium atoms with nitrous oxide and nitrogen dioxide indicate that the model is sufficiently sensitive to distinguish between very similar systems and, therefore, should be useful in providing classification criteria in the search for a chemically pumped electronic laser.

Neutrino reactions in hot and dense matter

Energy Technology Data Exchange (ETDEWEB)

Lohs, Andreas

2015-04-13

In this thesis, neutrino reactions in hot and dense matter are studied. In particular, this work is concerned with neutrino-matter interactions that are relevant for neutrino transport in core-collapse supernovae (CCSNe). The majority of the energy from a CCSN is released in the form of neutrinos. Accurate understanding and computation of these interactions is most relevant to achieve sufficiently reliable predictions for the evolution of CCSNe and other related question such as the production of heavy elements or neutrino oscillations. For this purpose this work follows the combined approach of searching for new important neutrino reactions and improving the computation of those reactions that are already implemented. First we estimate the relevance of charged-current weak interactions that include muon-neutrinos or muons, as well as the role of neutron decay for neutrino transport in CCSNe. All of these reactions were previously neglected in CCSN-simulations. We derive and compute the matrix element and subsequent semi-analytic expressions for transport properties like the inverse mean free path of the new reactions. It is found that these reactions are important for muon neutrinos and low energy electron antineutrinos at very high densities in the protoneutron star surface. Consequently their implementation might lead to several changes in the prediction of CCSNe signatures such as the nucleosynthesis yields. Second we improve the precision in the computation of well known neutrino-nucleon reactions like neutrino absorption on neutrons. We derive semi-analytic expressions for transport properties that use less restrictive approximations while keeping the computational demand constant. Therefore we consider the full relativistic kinematics of all participating particles i.e. allowing for relativistic nucleons and finite lepton masses. Also the weak magnetism terms of the matrix elements are explicitly included to all orders. From our results we suggest that the

Neutrino reactions in hot and dense matter

International Nuclear Information System (INIS)

Lohs, Andreas

2015-01-01

In this thesis, neutrino reactions in hot and dense matter are studied. In particular, this work is concerned with neutrino-matter interactions that are relevant for neutrino transport in core-collapse supernovae (CCSNe). The majority of the energy from a CCSN is released in the form of neutrinos. Accurate understanding and computation of these interactions is most relevant to achieve sufficiently reliable predictions for the evolution of CCSNe and other related question such as the production of heavy elements or neutrino oscillations. For this purpose this work follows the combined approach of searching for new important neutrino reactions and improving the computation of those reactions that are already implemented. First we estimate the relevance of charged-current weak interactions that include muon-neutrinos or muons, as well as the role of neutron decay for neutrino transport in CCSNe. All of these reactions were previously neglected in CCSN-simulations. We derive and compute the matrix element and subsequent semi-analytic expressions for transport properties like the inverse mean free path of the new reactions. It is found that these reactions are important for muon neutrinos and low energy electron antineutrinos at very high densities in the protoneutron star surface. Consequently their implementation might lead to several changes in the prediction of CCSNe signatures such as the nucleosynthesis yields. Second we improve the precision in the computation of well known neutrino-nucleon reactions like neutrino absorption on neutrons. We derive semi-analytic expressions for transport properties that use less restrictive approximations while keeping the computational demand constant. Therefore we consider the full relativistic kinematics of all participating particles i.e. allowing for relativistic nucleons and finite lepton masses. Also the weak magnetism terms of the matrix elements are explicitly included to all orders. From our results we suggest that the

Thermally multiplexed polymerase chain reaction.

Science.gov (United States)

Phaneuf, Christopher R; Pak, Nikita; Saunders, D Curtis; Holst, Gregory L; Birjiniuk, Joav; Nagpal, Nikita; Culpepper, Stephen; Popler, Emily; Shane, Andi L; Jerris, Robert; Forest, Craig R

2015-07-01

Amplification of multiple unique genetic targets using the polymerase chain reaction (PCR) is commonly required in molecular biology laboratories. Such reactions are typically performed either serially or by multiplex PCR. Serial reactions are time consuming, and multiplex PCR, while powerful and widely used, can be prone to amplification bias, PCR drift, and primer-primer interactions. We present a new thermocycling method, termed thermal multiplexing, in which a single heat source is uniformly distributed and selectively modulated for independent temperature control of an array of PCR reactions. Thermal multiplexing allows amplification of multiple targets simultaneously-each reaction segregated and performed at optimal conditions. We demonstrate the method using a microfluidic system consisting of an infrared laser thermocycler, a polymer microchip featuring 1 μl, oil-encapsulated reactions, and closed-loop pulse-width modulation control. Heat transfer modeling is used to characterize thermal performance limitations of the system. We validate the model and perform two reactions simultaneously with widely varying annealing temperatures (48 °C and 68 °C), demonstrating excellent amplification. In addition, to demonstrate microfluidic infrared PCR using clinical specimens, we successfully amplified and detected both influenza A and B from human nasopharyngeal swabs. Thermal multiplexing is scalable and applicable to challenges such as pathogen detection where patients presenting non-specific symptoms need to be efficiently screened across a viral or bacterial panel.

Transport description of damped nuclear reactions

International Nuclear Information System (INIS)

Randrup, J.

1984-01-01

This lecture series is concerned with the transport description of damped nuclear reactions. Part 1 is an elementary introduction to the general transport theory of nuclear dynamics. It can be read without any special knowledge of the field, although basic quantum mechanics is required for the formal derivation of the general expressions for the transport coefficients. The results can also be used in a wider context than the present one. Part 2 gives the student an up-to-date orientation about recent progress in the understanding of the angular-momentum variables in damped reactions. The emphasis is here on the qualitative understanding of the physics rather than the, at times somewhat tedious, formal derivations. More detailed presentations are due to be published soon. By necessity entire topics have been omitted. For example, no discussion is given of the calculation of the form factors, and the several instructive applications of the theory to transport of mass and change are not covered at all. For these topics they refer to the literature. It is hoped that the present notes provide a sufficient basis to make the literature on the subject accessible to the student

How, When, and Where? Assessing Renewable Energy Self-Sufficiency at the Neighborhood Level.

Science.gov (United States)

Grosspietsch, David; Thömmes, Philippe; Girod, Bastien; Hoffmann, Volker H

2018-02-20

Self-sufficient decentralized systems challenge the centralized energy paradigm. Although scholars have assessed specific locations and technological aspects, it remains unclear how, when, and where energy self-sufficiency could become competitive. To address this gap, we develop a techno-economic model for energy self-sufficient neighborhoods that integrates solar photovoltaics (PV), conversion, and storage technologies. We assess the cost of 100% self-sufficiency for both electricity and heat, comparing different technical configurations for a stylized neighborhood in Switzerland and juxtaposing these findings with projections on market and technology development. We then broaden the scope and vary the neighborhood's composition (residential share) and geographic position (along different latitudes). Regarding how to design self-sufficient neighborhoods, we find two promising technical configurations. The "PV-battery-hydrogen" configuration is projected to outperform a fossil-fueled and grid-connected reference configuration when energy prices increase by 2.5% annually and cost reductions in hydrogen-related technologies by a factor of 2 are achieved. The "PV-battery" configuration would allow achieving parity with the reference configuration sooner, at 21% cost reduction. Additionally, more cost-efficient deployment is found in neighborhoods where the end-use is small commercial or mixed and in regions where seasonal fluctuations are low and thus allow for reducing storage requirements.

Deuteron-induced reactions generated by intense lasers for PET isotope production

Science.gov (United States)

Kimura, Sachie; Bonasera, Aldo

2011-05-01

We investigate the feasibility of using laser accelerated protons/deuterons for positron emission tomography (PET) isotope production by means of the nuclear reactions 11B(p, n) 11C and 10B(d, n) 11C. The second reaction has a positive Q-value and no energy threshold. One can, therefore, make use of the lower energy part of the laser-generated deuterons, which includes the majority of the accelerated deuterons. By assuming that the deuteron spectra are similar to the proton spectra, the 11C produced from the reaction 10B(d, n) 11C is estimated to be 7.4×10 9 per laser-shot at the Titan laser at Lawrence Livermore National Laboratory. Meanwhile a high-repetition table-top laser irradiation is estimated to generate 3.5×10 711C per shot from the same reaction. In terms of the 11C activity, it is about 2×10 4 Bq per shot. If this laser delivers kHz, the activity is integrated to 1 GBq after 3 min. The number is sufficient for the practical application in medical imaging for PET.

Towards a sufficiency-driven business model : Experiences and opportunities

NARCIS (Netherlands)

Bocken, N.M.P.; Short, SW

2016-01-01

Business model innovation is an important lever for change to tackle pressing sustainability issues. In this paper, ‘sufficiency’ is proposed as a driver of business model innovation for sustainability. Sufficiency-driven business models seek to moderate overall resource consumption by curbing

Reaction probability derived from an interpolation formula for diffusion processes with an absorptive boundary condition

International Nuclear Information System (INIS)

Misawa, T.; Itakura, H.

1995-01-01

The present article focuses on a dynamical simulation of molecular motion in liquids. In the simulation involving diffusion-controlled reaction with discrete time steps, lack of information regarding the trajectory within the time step may result in a failure to count the number of reactions of the particles within the step. In order to rectify this, an interpolated diffusion process is used. The process is derived from a stochastic interpolation formula recently developed by the first author [J. Math. Phys. 34, 775 (1993)]. In this method, the probability that reaction has occurred during the time step given the initial and final positions of the particles is calculated. Some numerical examples confirm that the theoretical result corresponds to an improvement over the Clifford-Green work [Mol. Phys. 57, 123 (1986)] on the same matter

Entrepreneurship by any other name: self-sufficiency versus innovation.

Science.gov (United States)

Parker Harris, Sarah; Caldwell, Kate; Renko, Maija

2014-01-01

Entrepreneurship has been promoted as an innovative strategy to address the employment of people with disabilities. Research has predominantly focused on the self-sufficiency aspect without fully integrating entrepreneurship literature in the areas of theory, systems change, and demonstration projects. Subsequently there are gaps in services, policies, and research in this field that, in turn, have limited our understanding of the support needs and barriers or facilitators of entrepreneurs with disabilities. A thorough analysis of the literature in these areas led to the development of two core concepts that need to be addressed in integrating entrepreneurship into disability employment research and policy: clarity in operational definitions and better disability statistics and outcome measures. This article interrogates existing research and policy efforts in this regard to argue for a necessary shift in the field from focusing on entrepreneurship as self-sufficiency to understanding entrepreneurship as innovation.

CONDITIONS FOR EXACT CAVALIERI ESTIMATION

Directory of Open Access Journals (Sweden)

Mónica Tinajero-Bravo

2014-03-01

Full Text Available Exact Cavalieri estimation amounts to zero variance estimation of an integral with systematic observations along a sampling axis. A sufficient condition is given, both in the continuous and the discrete cases, for exact Cavalieri sampling. The conclusions suggest improvements on the current stereological application of fractionator-type sampling.

Mechanistic models for the evaluation of biocatalytic reaction conditions and biosensor design optimization

DEFF Research Database (Denmark)

Semenova, Daria

. In the first case study a mechanistic model was developed to describe the enzymatic reaction of glucose oxidase and glucose in the presence of catalase inside a commercial microfluidic platform with integrated oxygen sensor spots. The simplicity of the proposed model allowed an easy calibration of the reaction...... the microfluidic device. In the second case study the flexible microfluidic platform with integrated amperometric glucose biosensors was developed for continuous monitoring of glucose consumption rates. The integration of the mixing chamber inside the platform allowed performing sample dilutions which subsequently......BRs. In the third case study the mechanistic model of the cyclic voltammetry response of the first generation glucose biosensors was developed and applied for the biosensor design optimization. Furthermore the obtained qualitative and quantitative dependencies between the model output and experimental results were...

Hydrogen generation from formic acid catalyzed by a metal complex under amine-free and aqueous conditions

KAUST Repository

Huang, Kuo-Wei; Guan, Chao; Pan, Yupeng; Hu, Jinsong; Li, Huaifeng

2018-01-01

invention provides catalysts used to produce hydrogen that has a satisfactory and sufficient lifespan (measured by turnover number (TON)), that has stability in the presence of moisture, air, acid, or impurities, promote a rapid reaction rate, and remain

Evaluation of urogenital Chlamydia trachomatis infections by cell culture and the polymerase chain reaction using a closed system

DEFF Research Database (Denmark)

Østergaard, Lars; Traulsen, J; Birkelund, Svend

1991-01-01

the two test systems were compared, the overall sensitivity of the polymerase chain reaction was 96% and the specificity 94% when compared to the cell culture technique. By use of a closed system for DNA extraction and sample transfer for the polymerase chain reaction, contamination of the samples......Two hundred and fifty-four specimens from males and females consulting a clinic for sexually transmitted diseases were analyzed for genital Chlamydia trachomatis infection. Each clinical sample was tested by the cell culture technique and the polymerase chain reaction using a closed system. When...... not detect Chlamydia trachomatis after sufficient antibiotic treatment of the chlamydial infections....

Evaluation of urogenital Chlamydia trachomatis infections by cell culture and the polymerase chain reaction using a closed system

DEFF Research Database (Denmark)

Østergaard, Lars; Traulsen, J; Birkelund, Svend

1993-01-01

the two test systems were compared, the overall sensitivity of the polymerase chain reaction was 96% and the specificity 94% when compared to the cell culture technique. By use of a closed system for DNA extraction and sample transfer for the polymerase chain reaction, contamination of the samples......Two hundred and fifty-four specimens from males and females consulting a clinic for sexually transmitted diseases were analyzed for genital Chlamydia trachomatis infection. Each clinical sample was tested by the cell culture technique and the polymerase chain reaction using a closed system. When...... not detect Chlamydia trachomatis after sufficient antibiotic treatment of the chlamydial infections....

Strong Duality and Optimality Conditions for Generalized Equilibrium Problems

Directory of Open Access Journals (Sweden)

D. H. Fang

2013-01-01

Full Text Available We consider a generalized equilibrium problem involving DC functions. By using the properties of the epigraph of the conjugate functions, some sufficient and/or necessary conditions for the weak and strong duality results and optimality conditions for generalized equilibrium problems are provided.

Reactions of CF3O radicals with selected alkenes and aromatics under atmospheric conditions

DEFF Research Database (Denmark)

Kelly, C.; Sidebottom, H.W.; Treacy, J.

1994-01-01

Rate data for the reactions of CF3O radicals with alkenes and aromatic compounds have been determined at 298 K using a relative rate method. The data are analyzed in terms of structure-reactivity relationships, and their importance to the atmospheric chemistry of CF3O discussed.......Rate data for the reactions of CF3O radicals with alkenes and aromatic compounds have been determined at 298 K using a relative rate method. The data are analyzed in terms of structure-reactivity relationships, and their importance to the atmospheric chemistry of CF3O discussed....

Flow Giese reaction using cyanoborohydride as a radical mediator

Directory of Open Access Journals (Sweden)

Takahide Fukuyama

2013-09-01

Full Text Available Tin-free Giese reactions, employing primary, secondary, and tertiary alkyl iodides as radical precursors, ethyl acrylate as a radical trap, and sodium cyanoborohydride as a radical mediator, were examined in a continuous flow system. With the use of an automated flow microreactor, flow reaction conditions for the Giese reaction were quickly optimized, and it was found that a reaction temperature of 70 °C in combination with a residence time of 10–15 minutes gave good yields of the desired addition products.

Exploring conditions for the enhancement of acene semiconductors through the use of the Diels-alder reaction

Science.gov (United States)

Qualizza, Brittni A.

This dissertation demonstrates the application of SAMs to the surface of acene crystals, specifically of tetracene and rubrene, using the Diels-Alder reaction. The second chapter details preliminary reaction results and two analytical methods which were employed to confirm adsorption of the dienophile on the surface of single crystals, tetracene and rubrene. These were mass spectrometry and X-ray photoelectron spectroscopy (XPS). Mass spectrometry experiments distinguish the chemical identity of adduct on the crystals and also it discerned chemi- and physisorbed molecules from one another. XPS was used to prove face selectivity of the reaction by the detection of dichloromaleic anhydride. From a mechanistic standpoint, this system demonstrated unusual steric effects: the reaction of one face of the tetracene crystal was virtually inert, while another face was facile. The dienophiles' steric bulk was also expected to play critical role for these confined systems, however analysis of surface data was hindered by the relative lack of corresponding solution kinetic data. While the rate of anthracene's reaction has been studied extensively with a range of dienophiles and tetracene/pentacene has been studied theoretically (with limited experimental reports), an expansive report was generated to aid in future interpretations of acene systems. These kinetic results constitute chapter three.

Industry Specifics and Consumers’ Reactions to Business Crises

Directory of Open Access Journals (Sweden)

Kazlauskienė Asta

2018-02-01

Full Text Available Different scientific studies provide many valuable recommendations how to manage crises in order to lessen their negative effect on relations with consumers. But the question whether the same business crises management rules can be applied for different industries, or they must be adapted depending on industries specifics, has not received sufficient scientific attention. Knowledge gaps about industry specific effect on consumer reactions to business crises remain. This study focuses on understanding the differences in consumers’ reactions in business crises situations with regard to controversial evaluation in the society of “the sin industries” (alcohol, tobacco, gambling, etc. and ordinary industries (not having controversial associations. Experimental research design, including online experiment with tobacco, beer and functional soft drinks consumers (in total 306 respondents, was chosen for competing research hypotheses testing. Empirical evidence was in line with theoretical argumentation about less negative consumers’ reactions during business crises in case of “sin industries” versus ordinary industry. This study shows that consumers attitudes, such as perception of company’s product quality, trust, social responsibility and behavioural intentions, such as intention to buy and recommend company’s products, are less negative during business crises in lower reputation “sin industries” than in ordinary industries.

Alternative reaction routes during coal hydrogenation and coal derived oil upgrading

Energy Technology Data Exchange (ETDEWEB)

Schulz, H.; Kordokuzis, G.; Langner, M. (University of Karlsruhe, Karlsruhe (Germany, F.R.). Engler-Bunte-Institute)

1989-10-01

Alternative reaction routes have been traced for the hydrodenitrogenation and hydrodeoxygenation of coal structure related model compounds. Reaction pathways are very structure specific. It is shown how reaction mechanisms switch from one route to another with changes in reaction conditions and catalyst features. Optimization of coal liquefaction processes can make use of this detailed understanding of selectivity. 5 refs., 7 figs.

Break-up reactions: theoretical aspects

International Nuclear Information System (INIS)

Baye, D.

2007-01-01

Breakup reactions are one of the main tools for the study of exotic nuclei. In particular, Coulomb breakup is expected to provide information on spectroscopic properties of halo nuclei and on astrophysical S factors for radiative-capture reactions. The simplest studies are based on perturbation theory and especially on its first order. However the validity of the first-order approximation may be limited for extended systems such as halo nuclei and its conditions are not always satisfied in existing experiments. More elaborate reaction models are available: resolution of the semi-classical time-dependent Schroedinger equation, eikonal and dynamical eikonal approximations, method of coupled discretized-continuum channels (CDCC). These methods are reviewed and summarized. Their interest and limitations are discussed. The Be 11 and B 8 breakups are treated as examples of the various approximations. (author)

Probing adsorption phenomena on a single crystal Pt-alloy surface under oxygen reduction reaction conditions

International Nuclear Information System (INIS)

Bondarenko, Alexander S.; Stephens, Ifan E.L.; Bech, Lone; Chorkendorff, Ib

2012-01-01

Highlights: ► Impedance spectroscopy of Cu/Pt(1 1 1) near-surface alloy and Pt(1 1 1). ► Presence of oxygen changes little the adsorption dynamics. ► Adsorption dynamics similar on alloy and Pt(1 1 1). ► Electrosorption phenomena on alloy shifted in potential, relative to Pt(1 1 1). - Abstract: The adsorption dynamics of *OH and *O species at Pt(1 1 1) and Cu/Pt(1 1 1) near-surface alloy (NSA) surfaces in oxygen-free and O 2 -saturated 0.1 M HClO 4 was investigated. Subsurface Cu modifies the electronic structure at the Pt(1 1 1) surface resulting in weaker bonding to adsorbates like *OH, *H or *O. This provides a basis for the high oxygen reduction activity of the NSA, as predicted by density functional theory calculations. The shift in *OH adsorption of around 0.16 V towards more positive potentials can be clearly monitored in absence of O 2 and under the oxygen reduction reaction (ORR) conditions for the Cu/Pt(1 1 1) NSA. In both cases, for Pt(1 1 1) and NSA, the *OH(*O) adsorption dynamics is very similar in the absence of oxygen and under ORR conditions. Therefore, theoretical assumptions about the coverage of adsorbates in the absence of oxygen can be reasonably extrapolated to the situation when oxygen reduction takes place at the surface. A ∼5-fold improvement in the ORR activity over the Pt(1 1 1) at 0.9 V (RHE) was measured for the Cu/Pt(1 1 1) near-surface alloy.

Stress reaction in crayfish: chlorides help to withstand stress in high nitrite concentration conditions – preliminary study

Directory of Open Access Journals (Sweden)

Kozák P.

2011-06-01

Full Text Available A non-invasive method of recording cardiac activity (heart rate – HR and stress reaction (stress index – SI was used to understand the immediate and ongoing stress reaction of crayfish to the chemical stimuli. This method detects changes in the shape and amplitude parameters of the response to the stress factors, which characterized the crayfish functional state. Experimental animals (Astacus leptodactylus were divided to the two groups with (400 mg·L-1 Cl− and without added chlorides and then exposed to a stepwise increased level of nitrite to the final (sublethal-lethal concentration of 60 mg·L-1 N-NO\\hbox{$_{2}^{-}$}−2 within 24 hours. The course of crayfish reaction was evident and provided information about their reaction to the sublethal-lethal concentration over time. As expected, a less prominent stress reaction was detected in the group with chlorides. The non-invasive method successfully evaluated the sensing of chemical stimuli in water through HR and SI changes.

Plasmon-driven sequential chemical reactions in an aqueous environment.

Science.gov (United States)

Zhang, Xin; Wang, Peijie; Zhang, Zhenglong; Fang, Yurui; Sun, Mengtao

2014-06-24

Plasmon-driven sequential chemical reactions were successfully realized in an aqueous environment. In an electrochemical environment, sequential chemical reactions were driven by an applied potential and laser irradiation. Furthermore, the rate of the chemical reaction was controlled via pH, which provides indirect evidence that the hot electrons generated from plasmon decay play an important role in plasmon-driven chemical reactions. In acidic conditions, the hot electrons were captured by the abundant H(+) in the aqueous environment, which prevented the chemical reaction. The developed plasmon-driven chemical reactions in an aqueous environment will significantly expand the applications of plasmon chemistry and may provide a promising avenue for green chemistry using plasmon catalysis in aqueous environments under irradiation by sunlight.

Preferential processing of tactile events under conditions of divided attention: Effects of divided attention on reaction time

OpenAIRE

Hanson, James V. M.; Whitaker, David; Heron, James

2009-01-01

Differences in transduction and transmission latencies of visual, auditory and tactile events cause corresponding differences in simple reaction time. As reaction time is usually measured in unimodal blocks, it is unclear whether such latency differences also apply when observers monitor multiple sensory channels. We investigate this by comparing reaction time when attention is focussed on a single modality, and when attention is divided between multiple modalities. Results show that tactile ...

[The concept of nutritional self-sufficiency and the demographic equilibrium of Rwanda].

Science.gov (United States)

Habimana Nyirasafari, G

1987-12-01

Achieving food self-sufficiency is the basic strategy of Rwanda's 4th 5-year plan covering 1987-91. The population growth rate has increased from 3% in 1970 to 3.7% in 1983, with the population doubling between 1964 and 1985. Food production grew by about 4%/year between 1966-83, creating a slight increase in per capita food availability, but the 2171 calories available per capita is dangerously close to the theoretical minimum requirement of 2100 per day. The theoretical protein requirement is almost covered, but there is a serious shortage of oils. The increase in production since 1966 has been due almost exclusively to the extension of cultivated land. But the land supply is limited, and future production increases will need to be based on increased yields per unit cultivated. The National Office of Population has developed a simulation model that analyzes the parallel evolution of population and production so as to identify demographic and development policies that will assure food self-sufficiency and an improvement in living conditions. The population subsystem subjects the population divided by age and sex to the effects of fertility, migration, and mortality. Births are the result of 36 different fertility rates applied to the population of women aged 14-49 years. The agricultural subsystem is tied to the population subsystem by comparison of the volume of population to that of production, by estimation of the proportion of the population living exclusively by subsistence agriculture, by calculation of the potential emigration resulting from overpopulation of the countryside, and by estimation of the links between nutritional level, mortality, and duration of breastfeeding. 5 annexes contain subsystems showing effects of demographic growth on education, employment, and health. The model has various limitations including those of the reliability of its data, but it is sufficiently precise for its main function of clarifying the choices facing policymakers. 6

Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics

NARCIS (Netherlands)

De Wispelaere, K.; Ensing, B.; Ghysels, A.; Meijer, E.J.; van Van Speybroeck, V.

2015-01-01

The methanol-to-olefin process is a showcase example of complex zeolite-catalyzed chemistry. At real operating conditions, many factors affect the reactivity, such as framework flexibility, adsorption of various guest molecules, and competitive reaction pathways. In this study, the strength of first