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Sample records for reaction analysis showed

  1. Comparative Analysis of Clinical Samples Showing Weak Serum Reaction on AutoVue System Causing ABO Blood Typing Discrepancies.

    Science.gov (United States)

    Jo, Su Yeon; Lee, Ju Mi; Kim, Hye Lim; Sin, Kyeong Hwa; Lee, Hyeon Ji; Chang, Chulhun Ludgerus; Kim, Hyung Hoi

    2017-03-01

    ABO blood typing in pre-transfusion testing is a major component of the high workload in blood banks that therefore requires automation. We often experienced discrepant results from an automated system, especially weak serum reactions. We evaluated the discrepant results by the reference manual method to confirm ABO blood typing. In total, 13,113 blood samples were tested with the AutoVue system; all samples were run in parallel with the reference manual method according to the laboratory protocol. The AutoVue system confirmed ABO blood typing of 12,816 samples (97.7%), and these results were concordant with those of the manual method. The remaining 297 samples (2.3%) showed discrepant results in the AutoVue system and were confirmed by the manual method. The discrepant results involved weak serum reactions (serum reactions, samples from patients who had received stem cell transplants, ABO subgroups, and specific system error messages. Among the 98 samples showing ≤1+ reaction grade in the AutoVue system, 70 samples (71.4%) showed a normal serum reaction (≥2+ reaction grade) with the manual method, and 28 samples (28.6%) showed weak serum reaction in both methods. ABO blood tying of 97.7% samples could be confirmed by the AutoVue system and a small proportion (2.3%) needed to be re-evaluated by the manual method. Samples with a 2+ reaction grade in serum typing do not need to be evaluated manually, while those with ≤1+ reaction grade do.

  2. Limonene hydroperoxide analogues show specific patch test reactions.

    Science.gov (United States)

    Christensson, Johanna Bråred; Hellsén, Staffan; Börje, Anna; Karlberg, Ann-Therese

    2014-05-01

    The fragrance terpene R-limonene is a very weak sensitizer, but forms allergenic oxidation products upon contact with air. The primary oxidation products of oxidized limonene, the hydroperoxides, have an important impact on the sensitizing potency of the oxidation mixture. One analogue, limonene-1-hydroperoxide, was experimentally shown to be a significantly more potent sensitizer than limonene-2-hydroperoxide in the local lymph node assay with non-pooled lymph nodes. To investigate the pattern of reactivity among consecutive dermatitis patients to two structurally closely related limonene hydroperoxides, limonene-1-hydroperoxide and limonene-2-hydroperoxide. Limonene-1-hydroperoxide, limonene-2-hydroperoxide, at 0.5% in petrolatum, and oxidized limonene 3.0% pet. were tested in 763 consecutive dermatitis patients. Of the tested materials, limonene-1-hydroperoxide gave most reactions, with 2.4% of the patients showing positive patch test reactions. Limonene-2-hydroperoxide and oxidized R-limonene gave 1.7% and 1.2% positive patch test reactions, respectively. Concomitant positive patch test reactions to other fragrance markers in the baseline series were frequently noted. The results are in accordance with the experimental studies, as limonene-1-hydroperoxide gave more positive patch test reactions in the tested patients than limonene-2-hydroperoxide. Furthermore, the results support the specificity of the allergenic activity of the limonene hydroperoxide analogues and the importance of oxidized limonene as a cause of contact allergy. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  3. Suffering by comparison: Twitter users' reactions to the Victoria's Secret Fashion Show.

    Science.gov (United States)

    Chrisler, Joan C; Fung, Kaitlin T; Lopez, Alexandra M; Gorman, Jennifer A

    2013-09-01

    Social comparison theory suggests that evaluating the self in comparison with others (e.g., peers, celebrities, models) can influence body image. Experimental studies that have tested effects of viewing idealized images in the media often show that women feel worse about themselves after seeing images that illustrate the beauty ideal. Twitter presents a naturally occurring opportunity to study viewers' reactions. An analysis was conducted of 977 tweets sent immediately before and during the 2011 Victoria's Secret Fashion Show that reference the show. Although the majority were idiosyncratic remarks, many tweets contain evidence of upward social comparisons to the fashion models. There were tweets about body image, eating disorders, weight, desires for food or alcohol, and thoughts about self-harm. The results support social comparison theory, and suggest that vulnerable viewers could experience negative affect, or even engage in harmful behaviors, during or after viewing the show or others like it. Copyright © 2013 Elsevier Ltd. All rights reserved.

  4. Development of LEAP-JET code for sodium-water reaction analysis. Validation by sodium-water reaction tests (SWAT-1R)

    International Nuclear Information System (INIS)

    Seino, Hiroshi; Hamada, Hirotsugu

    2004-03-01

    The sodium-water reaction event in an FBR steam generator (SG) has influence on the safety, economical efficiency, etc. of the plant, so that the selection of design base leak (DBL) of the SG is considered as one of the important matters. The clarification of the sodium-water reaction phenomenon and the development of an analysis model are necessary to estimate the sodium-water reaction event with high accuracy and rationality in selecting the DBL. The reaction jet model is pointed out as a part of the necessary improvements to evaluate the overheating tube rupture of large SGs, since the behavior of overheating tube rupture is largely affected by the reaction jet conditions outside the tube. Therefore, LEAP-JET has been developed as an analysis code for the simulation of sodium-water reactions. This document shows the validation of the LEAP-JET code by the Sodium-Water Reaction Test (SWAT-1R). The following results have been obtained: (1) The reaction rate constant, K, is estimated at between 0.001≤K≤0.1 from the LEAP-JET analysis of the SWAT-1R data. (2) The analytical results on the high-temperature region and the behaviors of reaction consumption (Na, H 2 O) and products (H 2 , NaOH, Na 2 O) are considered to be physically reasonable. (3) The LEAP-JET analysis shows the tendency of overestimation in the maximum temperature and temperature distribution of the reaction jet. (4) In the LEAP-JET analysis, the numerical calculation becomes unstably, especially in the mesh containing quite small sodium mass. Therefore, it is necessary to modify the computational algorism to stabilize it and obtain the optimum value of K in sodium-water reactions. (author)

  5. Complement activation in leprosy: a retrospective study shows elevated circulating terminal complement complex in reactional leprosy.

    Science.gov (United States)

    Bahia El Idrissi, N; Hakobyan, S; Ramaglia, V; Geluk, A; Morgan, B Paul; Das, P Kumar; Baas, F

    2016-06-01

    Mycobacterium leprae infection gives rise to the immunologically and histopathologically classified spectrum of leprosy. At present, several tools for the stratification of patients are based on acquired immunity markers. However, the role of innate immunity, particularly the complement system, is largely unexplored. The present retrospective study was undertaken to explore whether the systemic levels of complement activation components and regulators can stratify leprosy patients, particularly in reference to the reactional state of the disease. Serum samples from two cohorts were analysed. The cohort from Bangladesh included multi-bacillary (MB) patients with (n = 12) or without (n = 46) reaction (R) at intake and endemic controls (n = 20). The cohort from Ethiopia included pauci-bacillary (PB) (n = 7) and MB (n = 23) patients without reaction and MB (n = 15) patients with reaction. The results showed that the activation products terminal complement complex (TCC) (P ≤ 0·01), C4d (P ≤ 0·05) and iC3b (P ≤ 0·05) were specifically elevated in Bangladeshi patients with reaction at intake compared to endemic controls. In addition, levels of the regulator clusterin (P ≤ 0·001 without R; P < 0·05 with R) were also elevated in MB patients, irrespective of a reaction. Similar analysis of the Ethiopian cohort confirmed that, irrespective of a reaction, serum TCC levels were increased significantly in patients with reactions compared to patients without reactions (P ≤ 0·05). Our findings suggests that serum TCC levels may prove to be a valuable tool in diagnosing patients at risk of developing reactions. © 2016 British Society for Immunology.

  6. 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)

  7. Development of blow down and sodium-water reaction jet analysis codes-Validation by sodium-water reaction tests (SWAT-1R)

    International Nuclear Information System (INIS)

    Hiroshi Seino; Akikazu Kurihara; Isao Ono; Koji Jitsu

    2005-01-01

    Blow down analysis code (LEAP-BLOW) and sodium-water reaction jet analysis code (LEAP-JET) have been developed in order to improve the evaluation method on sodium-water reaction event in the steam generator (SG) of a sodium cooled fast breeder reactor (FBR). The validation analyses by these two codes were carried out using the data of Sodium-Water Reaction Test (SWAT-1R). The following main results have been obtained through this validation: (1) The calculational results by LEAP-BLOW such as internal pressure and water flow rate show good agreement with the results of the SWAT- 1R test. (2) The LEAP-JET code can qualitatively simulate the behavior of sodium-water reaction. However, it is found that the code has tendency to overestimate the maximum temperature of the reaction jet. (authors)

  8. Large-leak sodium-water reaction analysis for steam generators

    International Nuclear Information System (INIS)

    Sakano, K.; Shindo, Y.; Hori, M.

    1975-01-01

    The guillotine rupture of 4 tubes is assumed as a design basis regarding the large-leak sodium-water reaction in the system of the MONJU steam generator. Three kinds of analyses were performed with the view to showing the integrity of the steam generator system on the reaction. The first one is the analysis of the initial pressure spike, assuming the initial guillotine rupture of 1 tube. The analysis was performed by utilizing one-dimensional sphere-cylinder model code SWAC-7 and two-dimensional axisymmetric code PISCES 2DL. The second one is the analysis of the secondary peak pressure and its propagation in the system, assuming the instantaneous guillotine rupture of 4 tubes. The third one is the analysis of the dynamic deformation of the steam generator shell. The integrity of the steam generator system was shown by the analyses. (author)

  9. Large-leak sodium-water reaction analysis for steam generators

    Energy Technology Data Exchange (ETDEWEB)

    Sakano, K; Shindo, Y; Hori, M

    1975-07-01

    The guillotine rupture of 4 tubes is assumed as a design basis regarding the large-leak sodium-water reaction in the system of the MONJU steam generator. Three kinds of analyses were performed with the view to showing the integrity of the steam generator system on the reaction. The first one is the analysis of the initial pressure spike, assuming the initial guillotine rupture of 1 tube. The analysis was performed by utilizing one-dimensional sphere-cylinder model code SWAC-7 and two-dimensional axisymmetric code PISCES 2DL. The second one is the analysis of the secondary peak pressure and its propagation in the system, assuming the instantaneous guillotine rupture of 4 tubes. The third one is the analysis of the dynamic deformation of the steam generator shell. The integrity of the steam generator system was shown by the analyses. (author)

  10. Analysis of transfer reactions: determination of spectroscopic factors

    Energy Technology Data Exchange (ETDEWEB)

    Keeley, N. [CEA Saclay, Dept. d' Astrophysique, de Physique des Particules de Physique Nucleaire et de l' Instrumentation Associee (DSM/DAPNIA/SPhN), 91- Gif sur Yvette (France); The Andrzej So an Institute for Nuclear Studies, Dept. of Nuclear Reactions, Warsaw (Poland)

    2007-07-01

    An overview of the most popular models used for the analysis of direct reaction data is given, concentrating on practical aspects. The 4 following models (in order of increasing sophistication): the distorted wave born approximation (DWBA), the adiabatic model, the coupled channels born approximation, and the coupled reaction channels are briefly described. As a concrete example, the C{sup 12}(d,p)C{sup 13} reaction at an incident deuteron energy of 30 MeV is analysed with progressively more physically sophisticated models. The effect of the choice of the reaction model on the spectroscopic information extracted from the data is investigated and other sources of uncertainty in the derived spectroscopic factors are discussed. We have showed that the choice of the reaction model can significantly influence the nuclear structure information, particularly the spectroscopic factors or amplitudes but occasionally also the spin-parity, that we wish to extract from direct reaction data. We have also demonstrated that the DWBA can fail to give a satisfactory description of transfer data but when the tenets of the theory are fulfilled DWBA can work very well and will yield the same results as most sophisticated models. The use of global rather than fitted optical potentials can also lead to important differences in the extracted spectroscopic factors.

  11. Reaction mixtures formed by nitrite and selected sulfa-drugs showed mutagenicity in acidic medium

    Directory of Open Access Journals (Sweden)

    Claudia Trossero

    2009-01-01

    Full Text Available Nitrite, which is present in preserved meat and can be produced in the oral cavity by reduction of nitrate taken from vegetables, could react in stomach with nitrosatable drugs, giving genotoxic-carcinogenic N-nitroso compounds (NOC. The mutagenicity of reaction mixtures formed by sodium nitrite and selected sulfa-drugs (sulfathiazole, HST; phtalylsulfathiazole, PhST; complex Co(II-sulfathiazole, Co(II-ST in acidic medium was evaluated using the Salmonella typhimurium reverse mutation assay (Ames test, with TA98 and TA 100 strains. The reactions were carried out at room temperature, with a mole ratio [nitrite]/[sulfa-drug] > 1. The three reaction mixtures showed mutagenic effects in the considered range.

  12. Quantitative surface analysis using deuteron-induced nuclear reactions

    International Nuclear Information System (INIS)

    Afarideh, Hossein

    1991-01-01

    The nuclear reaction analysis (NRA) technique consists of looking at the energies of the reaction products which uniquely define the particular elements present in the sample and it analysis the yield/energy distribution to reveal depth profiles. A summary of the basic features of the nuclear reaction analysis technique is given, in particular emphasis is placed on quantitative light element determination using (d,p) and (d,alpha) reactions. The experimental apparatus is also described. Finally a set of (d,p) spectra for the elements Z=3 to Z=17 using 2 MeV incident deutrons is included together with example of more applications of the (d,alpha) spectra. (author)

  13. Probabilistic sensitivity analysis of biochemical reaction systems.

    Science.gov (United States)

    Zhang, Hong-Xuan; Dempsey, William P; Goutsias, John

    2009-09-07

    Sensitivity analysis is an indispensable tool for studying the robustness and fragility properties of biochemical reaction systems as well as for designing optimal approaches for selective perturbation and intervention. Deterministic sensitivity analysis techniques, using derivatives of the system response, have been extensively used in the literature. However, these techniques suffer from several drawbacks, which must be carefully considered before using them in problems of systems biology. We develop here a probabilistic approach to sensitivity analysis of biochemical reaction systems. The proposed technique employs a biophysically derived model for parameter fluctuations and, by using a recently suggested variance-based approach to sensitivity analysis [Saltelli et al., Chem. Rev. (Washington, D.C.) 105, 2811 (2005)], it leads to a powerful sensitivity analysis methodology for biochemical reaction systems. The approach presented in this paper addresses many problems associated with derivative-based sensitivity analysis techniques. Most importantly, it produces thermodynamically consistent sensitivity analysis results, can easily accommodate appreciable parameter variations, and allows for systematic investigation of high-order interaction effects. By employing a computational model of the mitogen-activated protein kinase signaling cascade, we demonstrate that our approach is well suited for sensitivity analysis of biochemical reaction systems and can produce a wealth of information about the sensitivity properties of such systems. The price to be paid, however, is a substantial increase in computational complexity over derivative-based techniques, which must be effectively addressed in order to make the proposed approach to sensitivity analysis more practical.

  14. A taxonomy of integral reaction path analysis

    Energy Technology Data Exchange (ETDEWEB)

    Grcar, Joseph F.; Day, Marcus S.; Bell, John B.

    2004-12-23

    W. C. Gardiner observed that achieving understanding through combustion modeling is limited by the ability to recognize the implications of what has been computed and to draw conclusions about the elementary steps underlying the reaction mechanism. This difficulty can be overcome in part by making better use of reaction path analysis in the context of multidimensional flame simulations. Following a survey of current practice, an integral reaction flux is formulated in terms of conserved scalars that can be calculated in a fully automated way. Conditional analyses are then introduced, and a taxonomy for bidirectional path analysis is explored. Many examples illustrate the resulting path analysis and uncover some new results about nonpremixed methane-air laminar jets.

  15. Regression analysis of a chemical reaction fouling model

    International Nuclear Information System (INIS)

    Vasak, F.; Epstein, N.

    1996-01-01

    A previously reported mathematical model for the initial chemical reaction fouling of a heated tube is critically examined in the light of the experimental data for which it was developed. A regression analysis of the model with respect to that data shows that the reference point upon which the two adjustable parameters of the model were originally based was well chosen, albeit fortuitously. (author). 3 refs., 2 tabs., 2 figs

  16. Analysis of kinetic reaction mechanisms

    CERN Document Server

    Turányi, Tamás

    2014-01-01

    Chemical processes in many fields of science and technology, including combustion, atmospheric chemistry, environmental modelling, process engineering, and systems biology, can be described by detailed reaction mechanisms consisting of numerous reaction steps. This book describes methods for the analysis of reaction mechanisms that are applicable in all these fields. Topics addressed include: how sensitivity and uncertainty analyses allow the calculation of the overall uncertainty of simulation results and the identification of the most important input parameters, the ways in which mechanisms can be reduced without losing important kinetic and dynamic detail, and the application of reduced models for more accurate engineering optimizations. This monograph is invaluable for researchers and engineers dealing with detailed reaction mechanisms, but is also useful for graduate students of related courses in chemistry, mechanical engineering, energy and environmental science and biology.

  17. Ex-vacuo nuclear reaction analysis of deuterium

    International Nuclear Information System (INIS)

    Lee, S.R.; Doyle, B.L.

    1989-01-01

    A novel technique for performing in-air d( 3 He, p) nuclear reaction analysis of deuterium using external 3 He ion beams ranging in energy from 0.3-2.0 MeV is presented. Variable on-target beam energies for the depth profiling of deuterium are obtained by varying the transmission distance of the external 3 He beam in air. The ex-vacuo nuclear reaction analysis (XNRA) apparatus is described, and unique aspects and limitations of in-air depth profiling of deuterium using the d( 3 He, p) reaction are discussed. Example analyses where XNRA has been used for the multidimensional measurement of deuterium in fusion reactor components are presented in order to illustrate the advantages of XNRA for deuterium. These advantages include nondestructive analysis of large targets, efficient depth profiling via variable air gap energy tuning, and rapid analysis of numerous samples in the absence of vacuum cycling. (orig.)

  18. 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.

  19. Multifractal scaling analysis of autopoisoning reactions over a rough surface

    International Nuclear Information System (INIS)

    Chaudhari, Ajay; Yan, Ching-Cher Sanders; Lee, S.-L.

    2003-01-01

    Decay type diffusion-limited reactions (DLR) over a rough surface generated by a random deposition model were performed. To study the effect of the decay profile on the reaction probability distribution (RPD), multifractal scaling analysis has been carried out. The dynamics of these autopoisoning reactions are controlled by the two parameters in the decay function, namely, the initial sticking probability (P ini ) of every site and the decay rate (m). The smaller the decay rate, the narrower is the range of α values in the α-f(α) multifractal spectrum. The results are compared with the earlier work of DLR over a surface of diffusion-limited aggregation (DLA). We also considered here the autopoisoning reactions over a smooth surface for comparing our results, which show clearly how the roughness affects the chemical reactions. The q-τ(q) multifractal curves for the smooth surface are linear whereas those for the rough surface are nonlinear. The range of α values in the case of a rough surface is wider than that of the smooth surface

  20. Coupled-reaction-channel analysis of the (d,6Li) reaction on 24Mg and 26Mg to low-lying states

    International Nuclear Information System (INIS)

    Oelert, W.

    1986-01-01

    Experimental spectroscopic factors of the alpha-transfer reaction on nuclei of the sd-shell show rather strong inconsistencies and scatter much more strongly than explainable by the quoted errors. The poorer the quality of agreement between experimental and theoretical angular distribution shapes, the more inconsistent the comparison of spectroscopic factors either between different experiments or between theory and experiment. In view of the strong deformation of nuclei in the lower part of the sd-shell, higher-order reaction mechanisms are expected. A coupled-reaction-channel analysis for the transitions to the 0 + , 2 + , and 4 + states of the ground-state bands in 20 Ne and 22 Ne excited via the (d, 6 Li) reaction yields good agreement between experimental and theoretical angular distribution shapes as well as spectroscopic information. (orig.)

  1. Fat stigmatization in television shows and movies: a content analysis.

    Science.gov (United States)

    Himes, Susan M; Thompson, J Kevin

    2007-03-01

    To examine the phenomenon of fat stigmatization messages presented in television shows and movies, a content analysis was used to quantify and categorize fat-specific commentary and humor. Fat stigmatization vignettes were identified using a targeted sampling procedure, and 135 scenes were excised from movies and television shows. The material was coded by trained raters. Reliability indices were uniformly high for the seven categories (percentage agreement ranged from 0.90 to 0.98; kappas ranged from 0.66 to 0.94). Results indicated that fat stigmatization commentary and fat humor were often verbal, directed toward another person, and often presented directly in the presence of the overweight target. Results also indicated that male characters were three times more likely to engage in fat stigmatization commentary or fat humor than female characters. To our knowledge, these findings provide the first information regarding the specific gender, age, and types of fat stigmatization that occur frequently in movies and television shows. The stimuli should prove useful in future research examining the role of individual difference factors (e.g., BMI) in the reaction to viewing such vignettes.

  2. Reactivity of Single-Walled Carbon Nanotubes in the Diels-Alder Cycloaddition Reaction: Distortion-Interaction Analysis along the Reaction Pathway.

    Science.gov (United States)

    Li, Yingzi; Osuna, Sílvia; Garcia-Borràs, Marc; Qi, Xiaotian; Liu, Song; Houk, Kendall N; Lan, Yu

    2016-08-26

    Diels-Alder cycloaddition is one of the most powerful tools for the functionalization of single-walled carbon nanotubes (SWCNTs). Density functional theory at the B3-LYP level of theory has been used to investigate the reactivity of different-diameter SWCNTs (4-9,5) in Diels-Alder reactions with 1,3-butadiene; the reactivity was found to decrease with increasing SWCNT diameter. Distortion/interaction analysis along the whole reaction pathway was found to be a better way to explore the reactivity of this type of reaction. The difference in interaction energy along the reaction pathway is larger than that of the corresponding distortion energy. However, the distortion energy plots for these reactions show the same trend. Therefore, the formation of the transition state can be determined from the interaction energy. A lower interaction energy leads to an earlier transition state, which indicates a lower activation energy. The computational results also indicate that the original distortion of the SWCNTs leads to an increase in the reactivity of the SWCNTs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Thermogravimetric analysis of the beryllium/steam reaction

    Energy Technology Data Exchange (ETDEWEB)

    Druyts, Frank E-mail: fdruyts@sckcen.be; Iseghem, Pierre van

    2000-11-01

    In view of the safety assessment of new fusion reactor designs, kinetic data are needed on the beryllium/steam reaction. Therefore, thermogravimetric analysis was used to determine the reactivity of beryllium in steam as a function of temperature, irradiation history and porosity of the samples. To this purpose, reference unirradiated S-200 VHP beryllium samples were compared with specimens irradiated in the BR2 reactor up to fast neutron fluences (E>1 MeV) of respectively 1.6x10{sup 21} n cm{sup -2} (resulting in a helium content of 300 appm He and a theoretical density of 99.9%) and 4x10{sup 22} n cm{sup -2} (21000 appm He, 97.2% theoretical density). Kinetics were parabolic for all tested beryllium types at 600 deg. C. At 700 deg. C, kinetics were parabolic for the unirradiated and irradiated 99.9% dense beryllium, and accelerating/linear for the irradiated 97.2% material. At 800 deg. C, all samples showed accelerating/linear behaviour. There was no influence of porosity on the reaction rate of beryllium in steam within the limited investigated density range, except at 700 deg. C, where the measured reaction rate for the irradiated 97.2% dense samples is an order of magnitude higher than for the irradiated 99.9% dense specimens.

  4. An Attributional Analysis of Reactions to Negative Emotions.

    Science.gov (United States)

    Karasawa, Kaori

    1995-01-01

    Three studies examined observers' attributions and reactions to negative emotional displays, as well as expressers' expectations about others' reactions. Analysis revealed that people attribute others' negative emotions equally to situational factors and dispositions, whereas their own emotions are attributed to the situation more than to…

  5. 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

  6. Component Analysis of Sweet BV and Clinical Trial on Antibody Titer and Allergic Reactions

    Directory of Open Access Journals (Sweden)

    Ki Rok, Kwon

    2006-06-01

    Full Text Available Objectives : The aim of this study was to observe prevention of allergic reactions of Sweet Bee Venom (removing enzyme components from Bee Venom. Methods : Content analysis of Sweet Bee Venom and Bee Venom was rendered using HPLC method and characterization of Anti-Sweet Bee Venom in Rabbit Serum. Clinical observation was conducted for inducement of allergic responses to Sweet BV. Results : 1. Analyzing melittin content using HPLC, Sweet BV contained 34.9% more melittin than Bee venom pharmacopuncture at same concentration. 2. Observing chromatogram of HPLC, removal of the enzyme was successfully rendered on Sweet BV. 3. The anti-serum of Sweet BV showed high titers against melittin and bee venom and relatively low titer against phospholipase A2. 4. After conducting approximately 3,000 cases of Sweet BV administration, not a single case of generalized anaphylatic reaction occurred in clinical observation. 5. Mild compared to the bee venom pharmacopuncture, Sweet BV showed some acute hypersensitive reactions of edema, itchiness, and aching locally. 6. Sweet BV was administered on six patients with previous history of suffering from generalized acute hypersensitive reactions with the bee venom. None of the patients showed allergic reactions with Sweet BV, suggesting it can effectively prevent anaphylatic shock which may occur after the bee venom pharmacopuncture procedure. Conclusion : Summarizing above results, Sweet Bee Venom appears to be an effective measurement against allergic reactions from the bee venom pharmacopuncture especially against anaphylatic shock.

  7. Specifications for surface reaction analysis apparatus

    International Nuclear Information System (INIS)

    Teraoka, Yuden; Yoshigoe, Akitaka

    2001-03-01

    A surface reaction analysis apparatus was installed at the JAERI soft x-ray beamline in the SPring-8 as an experimental end-station for the study of surface chemistry. The apparatus is devoted to the study concerning the influence of translational kinetic energy of incident molecules to chemical reactions on solid surfaces with gas molecules. In order to achieve the research purpose, reactive molecular scattering experiments and photoemission spectroscopic measurements using synchrotron radiation are performed in that apparatus via a supersonic molecular beam generator, an electron energy analyzer and a quadrupole mass analyzer. The detail specifications for the apparatus are described in this report. (author)

  8. Numerical Analysis of Microwave Heating on Saponification Reaction

    Science.gov (United States)

    Huang, Kama; Jia, Kun

    2005-01-01

    Currently, microwave is widely used in chemical industry to accelerate chemical reactions. Saponification reaction has important applications in industry; some research results have shown that microwave heating can significantly accelerate the reaction [1]. But so far, no efficient method has been reported for the analysis of the heating process and design of an efficient reactor powered by microwave. In this paper, we present a method to study the microwave heating process on saponification reaction, where the reactant in a test tube is considered as a mixture of dilute solution. According to the preliminary measurement results, the effective permittivity of the mixture is approximately the permittivity of water, but the conductivity, which could change with the reaction, is derived from the reaction equation (RE). The electromagnetic field equation and reaction equation are coupled by the conductivity. Following that, the whole heating processes, which is described by Maxwell's equations, the reaction equation and heat transport equation (HTE), is analyzed by finite difference time domain (FDTD) method. The temperature rising in the test tube are measured and compared with the computational results. Good agreement can be seen between the measured and calculated results.

  9. Analysis of diffusivity of the oscillating reaction components in a microreactor system

    Directory of Open Access Journals (Sweden)

    Martina Šafranko

    2017-01-01

    Full Text Available When performing oscillating reactions, periodical changes in the concentrations of reactants, intermediaries, and products take place. Due to the mentioned periodical changes of the concentrations, the information about the diffusivity of the components included into oscillating reactions is very important for the control of the oscillating reactions. Non-linear dynamics makes oscillating reactions very interesting for analysis in different reactor systems. In this paper, the analysis of diffusivity of the oscillating reaction components was performed in a microreactor, with the aim of identifying the limiting component. The geometry of the microreactor microchannel and a well defined flow profile ensure optimal conditions for the diffusion phenomena analysis, because diffusion profiles in a microreactor depend only on the residence time. In this paper, the analysis of diffusivity of the oscillating reaction components was performed in a microreactor equipped with 2 Y-shape inlets and 2 Y-shape outlets, with active volume of V = 4 μL at different residence times.

  10. [Incidence rate of adverse reaction/event by Qingkailing injection: a Meta-analysis of single rate].

    Science.gov (United States)

    Ai, Chun-ling; Xie, Yan-ming; Li, Ming-quan; Wang, Lian-xin; Liao, Xing

    2015-12-01

    To systematically review the incidence rate of adverse drug reaction/event by Qingkailing injection. Such databases as the PubMed, EMbase, the Cochrane library, CNKI, VIP WanFang data and CBM were searched by computer from foundation to July 30, 2015. Two reviewers independently screened literature according to the inclusion and exclusion criteria, extracted data and cross check data. Then, Meta-analysis was performed by using the R 3.2.0 software, subgroup sensitivity analysis was performed based on age, mode of medicine, observation time and research quality. Sixty-three studies involving 9,793 patients with Qingkailing injection were included, 367 cases of adverse reactions/events were reported in total. The incidence rate of adverse reaction in skin and mucosa group was 2% [95% CI (0.02; 0.03)]; the digestive system adverse reaction was 6% [95% CI(0.05; 0.07); the injection site adverse reaction was 4% [95% CI (0.02; 0.07)]. In the digestive system as the main types of adverse reactions/events, incidence of children and adults were 4.6% [0.021 1; 0.097 7] and 6.9% [0.053 5; 0.089 8], respectively. Adverse reactions to skin and mucous membrane damage as the main performance/event type, the observation time > 7 days and ≤ 7 days incidence of 3% [0.012 9; 0.068 3] and 1.9% [0.007 8; 0.046 1], respectively. Subgroup analysis showed that different types of adverse reactions, combination in the incidence of adverse reactions/events were higher than that of single drug, the difference was statistically significant (P reactions occur, and clinical rational drug use, such as combination, age and other fators, and the influence factors vary in different populations. Therefore, clinical doctors for children and the elderly use special care was required for a clear and open spirit injection, the implementation of individualized medication.

  11. Carboplatin Hypersensitivity Reactions in Pediatric Low Grade Glioma Are Protocol Specific and Desensitization Shows Poor Efficacy.

    Science.gov (United States)

    Dodgshun, Andrew J; Hansford, Jordan R; Cole, Theresa; Choo, Sharon; Sullivan, Michael J

    2016-01-01

    The use of carboplatin for the treatment of pediatric low grade gliomas (PLGG) is often limited by the development of carboplatin hypersensitivity. Reported rates of carboplatin hypersensitivity reactions vary between 6% and 32% in these patients. Here we report the frequency of carboplatin hypersensitivity reactions depending on the treatment regimen used, and outcomes of carboplatin desensitization. The records of all patients in a single institution who were treated with carboplatin for PLGG were accessed and all patients receiving more than one dose of carboplatin are reported. Thirty four patients with PLGG were treated with carboplatin according to one of the two different regimens. Carboplatin hypersensitivity was documented in 47% of patients, but the frequency differed by treatment protocol. Those patients treated with 4-weekly single agent carboplatin had carboplatin allergy in 8% of cases whereas 68% of those treated with combined carboplatin and vincristine (every three weeks, according to the SIOP 2004 low grade glioma protocol) had carboplatin reactions (OR 23.6, P Desensitization was only successful in two out of 10 patients in whom it was attempted. Hypersensitivity reactions to carboplatin are more common in this cohort than previously reported and rates are protocol-dependent. Desensitization showed limited effectiveness in this cohort. © 2015 Wiley Periodicals, Inc.

  12. Theoretical analysis of thermal molten metal-water reactions

    International Nuclear Information System (INIS)

    Schwalbe, W.

    1982-01-01

    In experiments with greater masses (kg-scale) two extreme cases had been oberved during the course of reaction when hot melt reacted with a vaporizable cooler liquid. Relatively mild hot interactions with slow pressure build-up and small pressure peak in the reaction volume often occurred but there were also some very violent reactions (steam explosions) where a remarkable portion of thermal energy had been transformed into mechanical energy with high pressure peaks. For the two types of reactions overall models for water as a coolant are developed here. Based on calculations and on comparisons with corresponding experiments it is shown that a relatively mild course of reaction can be explained by a fragmentation of the melt under following violent evaporation of the cooling medium. Pressures only with small reaction volumes up to the MPa range can be found in these reactions. The calculations, for example of Bird and Millington, showed a pressure maximum of 1 MPa after 170 ms of the start of the reaction; this agrees very well with the result of the experiment of 1.08 MPa. (orig./GL) [de

  13. Structural parameter identifiability analysis for dynamic reaction networks

    DEFF Research Database (Denmark)

    Davidescu, Florin Paul; Jørgensen, Sten Bay

    2008-01-01

    method based on Lie derivatives. The proposed systematic two phase methodology is illustrated on a mass action based model for an enzymatically catalyzed reaction pathway network where only a limited set of variables is measured. The methodology clearly pinpoints the structurally identifiable parameters...... where for a given set of measured variables it is desirable to investigate which parameters may be estimated prior to spending computational effort on the actual estimation. This contribution addresses the structural parameter identifiability problem for the typical case of reaction network models....... The proposed analysis is performed in two phases. The first phase determines the structurally identifiable reaction rates based on reaction network stoichiometry. The second phase assesses the structural parameter identifiability of the specific kinetic rate expressions using a generating series expansion...

  14. Isothermal reaction calorimetry as a tool for kinetic analysis

    International Nuclear Information System (INIS)

    Zogg, Andreas; Stoessel, Francis; Fischer, Ulrich; Hungerbuehler, Konrad

    2004-01-01

    Reaction calorimetry has found widespread application for thermal and kinetic analysis of chemical reactions in the context of thermal process safety as well as process development. This paper reviews the most important reaction calorimetric principles (heat-flow, heat-balance, power-compensation, and Peltier principle) and their applications in commercial or scientific devices. The discussion focuses on the different dynamic behavior of the main calorimetric principles during an isothermal reaction measurement. Examples of available reaction calorimeters are further compared considering their detection limit, time constant as well as temperature range. In a second part, different evaluation methods for the isothermally measured calorimetric data are reviewed and discussed. The methods will be compared, focusing especially on the fact that reaction calorimetric data always contains additional informations not directly related to the actual chemical reaction such as heat of mixing, heat of phase-transfer/change processes or simple measurement errors. Depending on the evaluation method applied such disturbances have a significant influence on the calculated reaction enthalpies or rate constants

  15. Effects of alpha-amylase reaction mechanisms on analysis of resistant-starch contents.

    Science.gov (United States)

    Moore, Samuel A; Ai, Yongfeng; Chang, Fengdan; Jane, Jay-lin

    2015-01-22

    This study aimed to understand differences in the resistant starch (RS) contents of native and modified starches obtained using two standard methods of RS content analysis: AOAC Method 991.43 and 2002.02. The largest differences were observed in native potato starch, cross-linked wheat distarch phosphate, and high-amylose corn starch stearic-acid complex (RS5) between using AOAC Method 991.43 with Bacillus licheniformis α-amylase (BL) and AOAC Method 2002.02 with porcine pancreatic α-amylase (PPA). To determine possible reasons for these differences, we hydrolyzed raw-starch granules with BL and PPA with equal activity at pH 6.9 and 37°C for up to 84 h and observed the starch granules displayed distinct morphological differences after the hydrolysis. Starches hydrolyzed by BL showed erosion on the surface of the granules; those hydrolyzed by PPA showed pitting on granule surfaces. These results suggested that enzyme reaction mechanisms, including the sizes of the binding sites and the reaction patterns of the two enzymes, contributed to the differences in the RS contents obtained using different methods of RS analysis. Copyright © 2014 Elsevier Ltd. All rights reserved.

  16. Saccadic reaction times to audiovisual stimuli show effects of oscillatory phase reset.

    Directory of Open Access Journals (Sweden)

    Adele Diederich

    Full Text Available Initiating an eye movement towards a suddenly appearing visual target is faster when an accessory auditory stimulus occurs in close spatiotemporal vicinity. Such facilitation of saccadic reaction time (SRT is well-documented, but the exact neural mechanisms underlying the crossmodal effect remain to be elucidated. From EEG/MEG studies it has been hypothesized that coupled oscillatory activity in primary sensory cortices regulates multisensory processing. Specifically, it is assumed that the phase of an ongoing neural oscillation is shifted due to the occurrence of a sensory stimulus so that, across trials, phase values become highly consistent (phase reset. If one can identify the phase an oscillation is reset to, it is possible to predict when temporal windows of high and low excitability will occur. However, in behavioral experiments the pre-stimulus phase will be different on successive repetitions of the experimental trial, and average performance over many trials will show no signs of the modulation. Here we circumvent this problem by repeatedly presenting an auditory accessory stimulus followed by a visual target stimulus with a temporal delay varied in steps of 2 ms. Performing a discrete time series analysis on SRT as a function of the delay, we provide statistical evidence for the existence of distinct peak spectral components in the power spectrum. These frequencies, although varying across participants, fall within the beta and gamma range (20 to 40 Hz of neural oscillatory activity observed in neurophysiological studies of multisensory integration. Some evidence for high-theta/alpha activity was found as well. Our results are consistent with the phase reset hypothesis and demonstrate that it is amenable to testing by purely psychophysical methods. Thus, any theory of multisensory processes that connects specific brain states with patterns of saccadic responses should be able to account for traces of oscillatory activity in observable

  17. Nonlinear analysis of a reaction-diffusion system: Amplitude equations

    Energy Technology Data Exchange (ETDEWEB)

    Zemskov, E. P., E-mail: zemskov@ccas.ru [Russian Academy of Sciences, Dorodnicyn Computing Center (Russian Federation)

    2012-10-15

    A reaction-diffusion system with a nonlinear diffusion term is considered. Based on nonlinear analysis, the amplitude equations are obtained in the cases of the Hopf and Turing instabilities in the system. Turing pattern-forming regions in the parameter space are determined for supercritical and subcritical instabilities in a two-component reaction-diffusion system.

  18. Improvement on reaction model for sodium-water reaction jet code and application analysis

    International Nuclear Information System (INIS)

    Itooka, Satoshi; Saito, Yoshinori; Okabe, Ayao; Fujimata, Kazuhiro; Murata, Shuuichi

    2000-03-01

    In selecting the reasonable DBL on steam generator (SG), it is necessary to improve analytical method for estimating the sodium temperature on failure propagation due to overheating. Improvement on sodium-water reaction (SWR) jet code (LEAP-JET ver.1.30) and application analysis to the water injection tests for confirmation of code propriety were performed. On the improvement of the code, a gas-liquid interface area density model was introduced to develop a chemical reaction model with a little dependence on calculation mesh size. The test calculation using the improved code (LEAP-JET ver.1.40) were carried out with conditions of the SWAT-3·Run-19 test and an actual scale SG. It is confirmed that the SWR jet behavior on the results and the influence to analysis result of a model are reasonable. For the application analysis to the water injection tests, water injection behavior and SWR jet behavior analyses on the new SWAT-1 (SWAT-1R) and SWAT-3 (SWAT-3R) tests were performed using the LEAP-BLOW code and the LEAP-JET code. In the application analysis of the LEAP-BLOW code, parameter survey study was performed. As the results, the condition of the injection nozzle diameter needed to simulate the water leak rate was confirmed. In the application analysis of the LEAP-JET code, temperature behavior of the SWR jet was investigated. (author)

  19. Dose Volume Histogram analysis for rectum and urethral reaction of prostate cancer

    International Nuclear Information System (INIS)

    Yanagi, Takeshi; Tsuji, Hiroshi; Kamada, Tadashi; Tsujii, Hirohiko

    2005-01-01

    The aim of this study is to evaluate the clinically relevant parameters for rectum and urethral reaction using DVH (dose volume histogram) in carbon ion radiotherapy of prostate cancer. In this year, we studied the urinary reaction mainly. 35 patients with prostate cancer were treated with carbon ion beams between June 1995 and December 1997. The applied dose was escalated from 54.0 GyE to 72.0 GyE in fixed 20 fractions. Clinical urinary reaction and rectum reaction were reviewed using Radiation Therapy Oncology Group (RTOG) scoring system for acute reactions, RTOG/European Organization for Research and Treatment of Cancer (EORTC) scoring system for late reactions. Taking the ROI (region of interest) for DVH of urethra, we used surrogate one that was derived from the observation of MR images. 35 patients were analyzed for acute urinary reaction and 34 for late urinary reaction in the study of this year. DVH analysis suggested difference among the grades for acute and late reactions. These analysis appears to be a useful tool for predicting the urinary reactions. (author)

  20. Amazing variational approach to chemical reactions

    OpenAIRE

    Fernández, Francisco M.

    2009-01-01

    In this letter we analyse an amazing variational approach to chemical reactions. Our results clearly show that the variational expressions are unsuitable for the analysis of empirical data obtained from chemical reactions.

  1. Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions.

    Science.gov (United States)

    Singh, Raman K; Tsuneda, Takao

    2013-02-15

    The possibility of quantitative reaction analysis on the orbital energies of long-range corrected density functional theory (LC-DFT) is presented. First, we calculated the Diels-Alder reaction enthalpies that have been poorly given by conventional functionals including B3LYP functional. As a result, it is found that the long-range correction drastically improves the reaction enthalpies. The barrier height energies were also computed for these reactions. Consequently, we found that dispersion correlation correction is also crucial to give accurate barrier height energies. It is, therefore, concluded that both long-range exchange interactions and dispersion correlations are essentially required in conventional functionals to investigate Diels-Alder reactions quantitatively. After confirming that LC-DFT accurately reproduces the orbital energies of the reactant and product molecules of the Diels-Alder reactions, the global hardness responses, the halves of highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy gaps, along the intrinsic reaction coordinates of two Diels-Alder reactions were computed. We noticed that LC-DFT results satisfy the maximum hardness rule for overall reaction paths while conventional functionals violate this rule on the reaction pathways. Furthermore, our results also show that the HOMO-LUMO gap variations are close to the reaction enthalpies for these Diels-Alder reactions. Based on these results, we foresee quantitative reaction analysis on the orbital energies. Copyright © 2012 Wiley Periodicals, Inc.

  2. Analysis of reaction products of food contaminants and ingredients: bisphenol A diglycidyl ether (BADGE) in canned foods.

    Science.gov (United States)

    Coulier, Leon; Bradley, Emma L; Bas, Richard C; Verhoeckx, Kitty C M; Driffield, Malcolm; Harmer, Nick; Castle, Laurence

    2010-04-28

    Bisphenol A diglycidyl ether (BADGE) is an epoxide that is used as a starting substance in the manufacture of can coatings for food-contact applications. Following migration from the can coating into food, BADGE levels decay and new reaction products are formed by reaction with food ingredients. The significant decay of BADGE was demonstrated by liquid chromatographic (LC) analysis of foodstuffs, that is, tuna, apple puree, and beer, spiked with BADGE before processing and storage. Life-science inspired analytical approaches were successfully applied to study the reactions of BADGE with food ingredients, for example, amino acids and sugars. An improved mass balance of BADGE was achieved by selective detection of reaction products of BADGE with low molecular weight food components, using a successful combination of stable isotopes of BADGE and analysis by LC coupled to fluorescence detection (FLD) and high-resolution mass spectrometric (MS) detection. Furthermore, proteomics approaches showed that BADGE also reacts with peptides (from protein digests in model systems) and with proteins in foods. The predominant reaction center for amino acids, peptides, and proteins was cysteine.

  3. [Adverse reaction caused by rabies vaccine in China: a Meta-analysis].

    Science.gov (United States)

    Zhang, X R; Wu, Z G; Zhang, W S

    2017-06-10

    Objective: To conduct a Meta-analysis on the rate of adverse reaction related to rabies vaccine, so as to provide reference for rabies vaccine immunization in China. Methods: We electronically searched databases including CNKI, VIP information resource integration service platform, WanFang Data, CBM, PubMed and The Cochrane Library, to collect studies on Chinese people who had received full rabies vaccination and recording all the adverse reactions, from January 2000 to July 2016. Inclusion and exclusion criteria were strictly followed. Meta-analysis for the adverse reaction rate was performed using the R software. Results: A total of 29 related papers had met the inclusion criteria, with no publication bias noticed. A total number of 11 020 cases had adverse reactions, among all the 94 222 respondents, with an incidence of adverse reactions as 1.04 % -47.78 % . The overall incidence rate of adverse reaction was 9.82 % (95 %CI : 7.58 % -12.72 % ). A combined local adverse reaction rate appeared as 12.05 % (95 % CI : 9.26 % -15.69 % ). The systemic adverse reaction rate was 9.06 % (95 %CI : 7.07 % -11.61 % ). The overall adverse reaction rate on aqueous vaccine was 32.39 % (95 %CI : 21.88 % -47.94 % ). Combined adverse reaction rate of freeze dried vaccine appeared as 8.65 % (95 %CI : 4.54 % -16.51 % ). Significant differences were seen between both groups ( P rabies vaccination was higher than the systemic adverse reaction rate. The adverse reaction rate of aqueous rabies vaccine was higher than that of freeze dried rabies vaccine. Our results suggested that the aqueous vaccine should gradually be eliminated.

  4. Comparative Analysis of Clinical Samples Showing Weak Serum Reaction on AutoVue System Causing ABO Blood Typing Discrepancies

    OpenAIRE

    Jo, Su Yeon; Lee, Ju Mi; Kim, Hye Lim; Sin, Kyeong Hwa; Lee, Hyeon Ji; Chang, Chulhun Ludgerus; Kim, Hyung-Hoi

    2016-01-01

    Background ABO blood typing in pre-transfusion testing is a major component of the high workload in blood banks that therefore requires automation. We often experienced discrepant results from an automated system, especially weak serum reactions. We evaluated the discrepant results by the reference manual method to confirm ABO blood typing. Methods In total, 13,113 blood samples were tested with the AutoVue system; all samples were run in parallel with the reference manual method according to...

  5. The browning value changes and spectral analysis on the Maillard reaction product from glucose and methionine model system

    Science.gov (United States)

    Al-Baarri, A. N.; Legowo, A. M.; Widayat

    2018-01-01

    D-glucose has been understood to provide the various effect on the reactivity in Maillard reaction resulting in the changes in physical performance of food product. Therefore this research was done to analyse physical appearance of Maillard reaction product made of D-glucose and methionine as a model system. The changes in browning value and spectral analysis model system were determined. The glucose-methionine model system was produced through the heating treatment at 50°C and RH 70% for 24 hours. The data were collected for every three hour using spectrophotometer. As result, browning value was elevated with the increase of heating time and remarkably high if compare to the D-glucose only. Furthermore, the spectral analysis showed that methionine turned the pattern of peak appearance. As conclusion, methionine raised the browning value and changed the pattern of spectral analysis in Maillard reaction model system.

  6. Synthesis by the Pechini method and reaction combustion for the preparation of TiO2: a comparative analysis

    International Nuclear Information System (INIS)

    Almeida, E.P.; Ribeiro, P.C.; Freitas, N.L.; Lira, H.L.; Costa, A.C.F.M. da; Kiminami, R.H.G.A.

    2009-01-01

    The aim of this work is to prepare TiO 2 powder by Pechini and combustion reaction methods. A comparative analysis between the structural and morphological results obtained by the two methods was investigated. The powders were characterized by X-ray diffractions (XRD), infrared analysis, nitrogen adsorption (BET) and particle size distribution. The results from XRD show that the powders prepared by Pechini method and by combustion reaction using aniline as fuel, present anatase as major phase and traces of rutile phase. The values of crystallite size and surface area from BET were: 30 e 44 nm; 6.2 e 4.4 m 2 /g, for the powders prepared by Pechini and combustion reaction, respectively. The values of particle size were: 21.9 e 5.3 μm, for the powders prepared by Pechini and combustion reaction, respectively. The Pechini method was more suitable to obtain powders with irregular agglomerates, in the block shape with particles bonded softly and small crystallite size. (author)

  7. Thermodynamically consistent Bayesian analysis of closed biochemical reaction systems

    Directory of Open Access Journals (Sweden)

    Goutsias John

    2010-11-01

    Full Text Available Abstract Background Estimating the rate constants of a biochemical reaction system with known stoichiometry from noisy time series measurements of molecular concentrations is an important step for building predictive models of cellular function. Inference techniques currently available in the literature may produce rate constant values that defy necessary constraints imposed by the fundamental laws of thermodynamics. As a result, these techniques may lead to biochemical reaction systems whose concentration dynamics could not possibly occur in nature. Therefore, development of a thermodynamically consistent approach for estimating the rate constants of a biochemical reaction system is highly desirable. Results We introduce a Bayesian analysis approach for computing thermodynamically consistent estimates of the rate constants of a closed biochemical reaction system with known stoichiometry given experimental data. Our method employs an appropriately designed prior probability density function that effectively integrates fundamental biophysical and thermodynamic knowledge into the inference problem. Moreover, it takes into account experimental strategies for collecting informative observations of molecular concentrations through perturbations. The proposed method employs a maximization-expectation-maximization algorithm that provides thermodynamically feasible estimates of the rate constant values and computes appropriate measures of estimation accuracy. We demonstrate various aspects of the proposed method on synthetic data obtained by simulating a subset of a well-known model of the EGF/ERK signaling pathway, and examine its robustness under conditions that violate key assumptions. Software, coded in MATLAB®, which implements all Bayesian analysis techniques discussed in this paper, is available free of charge at http://www.cis.jhu.edu/~goutsias/CSS%20lab/software.html. Conclusions Our approach provides an attractive statistical methodology for

  8. Relation of expansion due to alkali silica reaction to the degree of reaction measured by SEM image analysis

    International Nuclear Information System (INIS)

    Haha, M. Ben; Gallucci, E.; Guidoum, A.; Scrivener, K.L.

    2007-01-01

    Scanning Electron Microscopy Image Analysis (SEM-IA) was used to quantify the degree of alkali silica reaction in affected microbars, mortar and concrete prisms. It was found that the degree of reaction gave a unique correlation with the macroscopic expansion for three different aggregates, stored at three temperatures and with two levels of alkali. The relationships found for the concretes and the mortars overlap when normalised by the aggregate content. This relationship seems to be linear up to a critical reaction degree which coincides with crack initiation within the reactive aggregates

  9. Derivatization reactions in the gas—liquid chromatographic analysis of drugs in biological fluids

    NARCIS (Netherlands)

    Hulshoff, A.; Lingeman, H.

    1984-01-01

    Alkylation, acylation, silylation and other derivatization reactions applied to the gas chromatographic analysis of drugs in biological matrices are reviewed. Reaction conditions are discussed in relation to reaction mechanisms. Detector-oriented labelling of drugs, and derivatization with chiral

  10. Stability Analysis of a Reaction-Diffusion System Modeling Atherogenesis

    KAUST Repository

    Ibragimov, Akif; Ritter, Laura; Walton, Jay R.

    2010-01-01

    This paper presents a linear, asymptotic stability analysis for a reaction-diffusionconvection system modeling atherogenesis, the initiation of atherosclerosis, as an inflammatory instability. Motivated by the disease paradigm articulated by Ross

  11. Nuclear reaction analysis of hydrogen in materials: Principals and applications

    International Nuclear Information System (INIS)

    Lanford, W.A.

    1991-01-01

    Analysis for hydrogen in materials is difficult by most traditional analytic methods. Because hydrogen has no Auger transitions, no X-ray transitions, does not neutron activate, and does not backscatter ions, it is invisible in analytical methods based on these effects. In addition, since hydrogen is a universal contaminant in vacuum systems, techniques based on mass spectrometry are difficult unless extreme measures are taken to reduce hydrogen backgrounds. Because of this situation, methods have been developed for analyzing for hydrogen in solid materials based on nuclear reactions between bombarding ions and hydrogen atoms (protons) in the samples. The nuclear reaction methods are now practiced at laboratories around the world. The basic principals of nuclear reaction analysis will be briefly presented. This method will be illustrated by applications to problems ranging from basic physics, to geology, to materials science, and to art history and archeology

  12. Analysis by nuclear reactions and activations. A current bibliography

    International Nuclear Information System (INIS)

    Bujdoso, E.

    2001-01-01

    A current bibliography based on INIS Atomindex with 78 references on Analysis by nuclear reactions and activations has been prepared for year 1998. References are arranged by first authors' name. (N.T.)

  13. Biomass pyrolysis and combustion integral and differential reaction heats with temperatures using thermogravimetric analysis/differential scanning calorimetry.

    Science.gov (United States)

    Shen, Jiacheng; Igathinathane, C; Yu, Manlu; Pothula, Anand Kumar

    2015-06-01

    Integral reaction heats of switchgrass, big bluestem, and corn stalks were determined using thermogravimetric analysis/differential scanning calorimetry (TGA/DSC). Iso-conversion differential reaction heats using TGA/DSC pyrolysis and combustion of biomass were not available, despite reports available on heats required and released. A concept of iso-conversion differential reaction heats was used to determine the differential reaction heats of each thermal characteristics segment of these materials. Results showed that the integral reaction heats were endothermic from 30 to 700°C for pyrolysis of switchgrass and big bluestem, but they were exothermic for corn stalks prior to 587°C. However, the integral reaction heats for combustion of the materials followed an endothermic to exothermic transition. The differential reaction heats of switchgrass pyrolysis were predominantly endothermic in the fraction of mass loss (0.0536-0.975), and were exothermic for corn stalks (0.0885-0.850) and big bluestem (0.736-0.919). Study results provided better insight into biomass thermal mechanism. Published by Elsevier Ltd.

  14. Analysis of the nucleon-nucleus reactions by the quantum molecular dynamics

    International Nuclear Information System (INIS)

    Chiba, Satoshi; Niita, Koji; Maruyama, Toshiki; Fukahori, Tokio; Takada, Hiroshi; Iwamoto, Akira

    1995-01-01

    The quantum molecular dynamics + statistical decay model has been applied to analyze the nucleon-induced nuclear reactions in the energy range from 50 to 3 GeV in order to verify its applicability to light-ion induced nuclear reactions. It was found that the present approach could give a quantitative description of various cross sections such as (p,p'), (p,n), (n,p) reactions from a wide range of targets and also target-like isotope production cross sections from p+Fe reaction, showing its basic ability as a tool for the study of intermediate energy nuclear reactions and nuclear data evaluation. (author)

  15. The analysis of magnesium oxide hydration in three-phase reaction system

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Xiaojia; Guo, Lin; Chen, Chen; Liu, Quan; Li, Tie; Zhu, Yimin, E-mail: ntp@dlmu.edu.cn

    2014-05-01

    In order to investigate the magnesium oxide hydration process in gas–liquid–solid (three-phase) reaction system, magnesium hydroxide was prepared by magnesium oxide hydration in liquid–solid (two-phase) and three-phase reaction systems. A semi-empirical model and the classical shrinking core model were used to fit the experimental data. The fitting result shows that both models describe well the hydration process of three-phase system, while only the semi-empirical model right for the hydration process of two-phase system. The characterization of the hydration product using X-Ray diffraction (XRD) and scanning electron microscope (SEM) was performed. The XRD and SEM show hydration process in the two-phase system follows common dissolution/precipitation mechanism. While in the three-phase system, the hydration process undergo MgO dissolution, Mg(OH){sub 2} precipitation, Mg(OH){sub 2} peeling off from MgO particle and leaving behind fresh MgO surface. - Graphical abstract: There was existence of a peeling-off process in the gas–liquid–solid (three-phase) MgO hydration system. - Highlights: • Magnesium oxide hydration in gas–liquid–solid system was investigated. • The experimental data in three-phase system could be fitted well by two models. • The morphology analysis suggested that there was existence of a peel-off process.

  16. Ambulatory Measurement of Ground Reaction Forces

    NARCIS (Netherlands)

    Veltink, Peter H.; Liedtke, Christian; Droog, Ed

    2004-01-01

    The measurement of ground reaction forces is important in the biomechanical analysis of gait and other motor activities. It is the purpose of this study to show the feasibility of ambulatory measurement of ground reaction forces using two six degrees of freedom sensors mounted under the shoe. One

  17. Cintichem modified process - {sup 99}Mo precipitation step: application of statistical analysis tools over the reaction parameters

    Energy Technology Data Exchange (ETDEWEB)

    Teodoro, Rodrigo; Dias, Carla R.B.R.; Osso Junior, Joao A., E-mail: jaosso@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Fernandez Nunez, Eutimio Gustavo [Universidade de Sao Paulo (EP/USP), SP (Brazil). Escola Politecnica. Dept. de Engenharia Quimica

    2011-07-01

    Precipitation of {sup 99}Mo by {alpha}-benzoin oxime ({alpha}-Bz) is a standard precipitation method for molybdenum due the high selectivity of this agent. Nowadays, statistical analysis tools have been employed in analytical systems to prove its efficiency and feasibility. IPEN has a project aiming the production of {sup 99}Mo by the fission of {sup 235}U route. The processing uses as the first step the precipitation of {sup 99}Mo with {alpha}-Bz. This precipitation step involves many key reaction parameters. The aim of this work is based on the development of the already known acidic route to produce {sup 99}Mo as well as the optimization of the reactional parameters applying statistical tools. In order to simulate {sup 99}Mo precipitation, the study was conducted in acidic media using HNO{sub 3}, {alpha}Bz as precipitant agent and NaOH /1%H{sub 2}O{sub 2} as dissolver solution. Then, a Mo carrier, KMnO{sub 4} solutions and {sup 99}Mo tracer were added to the reaction flask. The reactional parameters ({alpha}-Bz/Mo ratio, Mo carrier, reaction time and temperature, and cooling reaction time before filtration) were evaluated under a fractional factorial design of resolution V. The best values of each reactional parameter were determined by a response surface statistical planning. The precipitation and recovery yields of {sup 99}Mo were measured using HPGe detector. Statistical analysis from experimental data suggested that the reactional parameters {alpha}-Bz/Mo ratio, reaction time and temperature have a significant impact on {sup 99}Mo precipitation. Optimization statistical planning showed that higher {alpha}Bz/Mo ratios, room temperature, and lower reaction time lead to higher {sup 99}Mo yields. (author)

  18. Stoichiometric Representation of Gene–Protein–Reaction Associations Leverages Constraint-Based Analysis from Reaction to Gene-Level Phenotype Prediction

    DEFF Research Database (Denmark)

    Machado, Daniel; Herrgard, Markus; Rocha, Isabel

    2016-01-01

    only describe the metabolic phenotype at the reaction level, understanding the mechanistic link between genotype and phenotype is still hampered by the complexity of gene-protein-reaction associations. We implement a model transformation that enables constraint-based methods to be applied at the gene...... design methods are not actually feasible, and show how our approach allows using the same methods to obtain feasible gene-based designs. We also show, by extensive comparison with experimental 13C-flux data, how simple reformulations of different simulation methods with gene-wise objective functions...

  19. Generic Model-Based Tailor-Made Design and Analysis of Biphasic Reaction Systems

    DEFF Research Database (Denmark)

    Anantpinijwatna, Amata

    systems have a broad range of application, such as the manufacture of petroleum based chemicals, pharmaceuticals, and agro-bio products. Major considerations in the design and analysis of biphasic reaction systems are physical and chemical equilibria, kinetic mechanisms, and reaction rates. The primary...... contribution of this thesis is the development of a systematic modelling framework for the biphasic reaction system. The developed framework consists of three modules describing phase equilibria, reactions and mass transfer, and material balances of such processes. Correlative and predictive thermodynamic......Biphasic reaction systems are composed of immiscible aqueous and organic liquid phases where reactants, products, and catalysts are partitioned. These biphasic conditions point to novel synthesis paths, higher yields, and faster reactions, as well as facilitate product separation. The biphasic...

  20. Can Technical Analysis Signals Detect Price Reactions Around Earnings Announcement?: Evidence from Indonesia

    OpenAIRE

    Dedhy Sulistiawan; Jogiyanto Hartono

    2014-01-01

    This study examines whether technical analysis signals can detect price reactions before and after earnings announcement dates in Indonesian stock market. Earnings announcements produce reactions, both before and after the announcements. Informed investors may use private information before earnings announcements (Christophe, Ferri and Angel, 2004; Porter, 1992). Using technical analysis signals, this study expects that retail investors (uninformed investors) can detect preannouncements react...

  1. Modular verification of chemical reaction network encodings via serializability analysis

    Science.gov (United States)

    Lakin, Matthew R.; Stefanovic, Darko; Phillips, Andrew

    2015-01-01

    Chemical reaction networks are a powerful means of specifying the intended behaviour of synthetic biochemical systems. A high-level formal specification, expressed as a chemical reaction network, may be compiled into a lower-level encoding, which can be directly implemented in wet chemistry and may itself be expressed as a chemical reaction network. Here we present conditions under which a lower-level encoding correctly emulates the sequential dynamics of a high-level chemical reaction network. We require that encodings are transactional, such that their execution is divided by a “commit reaction” that irreversibly separates the reactant-consuming phase of the encoding from the product-generating phase. We also impose restrictions on the sharing of species between reaction encodings, based on a notion of “extra tolerance”, which defines species that may be shared between encodings without enabling unwanted reactions. Our notion of correctness is serializability of interleaved reaction encodings, and if all reaction encodings satisfy our correctness properties then we can infer that the global dynamics of the system are correct. This allows us to infer correctness of any system constructed using verified encodings. As an example, we show how this approach may be used to verify two- and four-domain DNA strand displacement encodings of chemical reaction networks, and we generalize our result to the limit where the populations of helper species are unlimited. PMID:27325906

  2. Reaction path analysis of sodium-water reaction phenomena in support of chemical reaction model development

    International Nuclear Information System (INIS)

    Kikuchi, Shin; Ohshima, Hiroyuki; Hashimoto, Kenro

    2011-01-01

    Computational study of the sodium-water reaction at the gas (water) - liquid (sodium) interface has been carried out using ab initio (first-principle) method. A possible reaction channel has been identified for the stepwise OH bond dissociations of a single water molecule. The energetics including the binding energy of a water molecule to the sodium surface, the activation energies of the bond cleavages, and the reaction energies, have been evaluated, and the rate constants of the first and second OH bond-breakings have been compared. The results are used as the basis for constructing the chemical reaction model used in a multi-dimensional sodium-water reaction code, SERAPHIM, being developed by JAEA toward the safety assessment of the steam generator (SG) in a sodium-cooled fast reactor (SFR). (author)

  3. Consequence analysis of IWTS metal water reactions (Fauske and Associates report 99-35)

    International Nuclear Information System (INIS)

    DUNCAN, D.R.

    1999-01-01

    The report describes the consequences of postulated thermally unstable conditions in the IWTS knock out pot. The consequence analysis shows that both the knock out pot and particulate bed will stay intact, and that releases will be minor. Reaction rate limitations prevent knock out pot pressure and/or temperature from even approaching values that would threaten structural integrity. Source term calculations based on a particle bed with a homogeneous mixture of metal and oxide particles yield a release above the K Basin pool of about 12 grams

  4. Analysis of reaction products formed in the gas phase reaction of E,E-2,4-hexadienal with atmospheric oxidants: Reaction mechanisms and atmospheric implications

    Science.gov (United States)

    Colmenar, I.; Martin, P.; Cabañas, B.; Salgado, S.; Martinez, E.

    2018-03-01

    An analysis of reaction products for the reaction of E,E-2,4-hexadienal with chlorine atoms (Cl) and OH and NO3 radicals has been carried out at the first time with the aim of obtaining a better understanding of the tropospheric reactivity of α,β-unsaturated carbonyl compounds. Fourier Transform Infrared (FTIR) spectroscopy and Gas Chromatography-Mass Spectrometry with a Time of Flight detector (GC-TOFMS) were used to carry out the qualitative and/or quantitative analyses. Reaction products in gas and particulate phase were observed from the reactions of E,E-2,4- hexadienal with all oxidants. E/Z-Butenedial and maleic anhydride were the main products identified in gas phase. E-butenedial calculated molar yield ranging from 4 to 10%. A significant amount of multifunctional compounds (chloro and hydroxy carbonyls) was identified. These compounds could be formed in particulate phase explaining the ∼90% of unaccounted carbon in gas phase. The reaction with Cl atoms in the presence of NOx with a long reaction time gave Peroxy Acetyl Nitrate (PAN) as an additional product, which is known for being an important specie in the generation of the photochemical smog. Nitrated compounds were the major organic products from the reaction with the NO3 radical. Based on the identified products, the reaction mechanisms have been proposed. In these mechanisms a double bond addition of the atmospheric oxidant at C4/C5 of E,E-2,4-hexadienal is the first step for tropospheric degradation.

  5. 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.

  6. Analysis of partial and total inelasticities obtained from inclusive reactions

    International Nuclear Information System (INIS)

    Bellandi, J.; Covolan, R.; Costa, C.G.; Montanha, J.; Mundim, L.M.

    1994-01-01

    An independent analysis of model for energetic dependence on inelasticity is presented, from experimental data of pp → c X (c = π +- , Κ +- , p +- ) type inclusive reactions. 6 refs., 2 figs., 1 tab

  7. 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

  8. Derivation of the reduced reaction mechanisms of ozone depletion events in the Arctic spring by using concentration sensitivity analysis and principal component analysis

    Directory of Open Access Journals (Sweden)

    L. Cao

    2016-12-01

    Full Text Available The ozone depletion events (ODEs in the springtime Arctic have been investigated since the 1980s. It is found that the depletion of ozone is highly associated with an auto-catalytic reaction cycle, which involves mostly the bromine-containing compounds. Moreover, bromide stored in various substrates in the Arctic such as the underlying surface covered by ice and snow can be also activated by the absorbed HOBr. Subsequently, this leads to an explosive increase of the bromine amount in the troposphere, which is called the “bromine explosion mechanism”. In the present study, a reaction scheme representing the chemistry of ozone depletion and halogen release is processed with two different mechanism reduction approaches, namely, the concentration sensitivity analysis and the principal component analysis. In the concentration sensitivity analysis, the interdependence of the mixing ratios of ozone and principal bromine species on the rate of each reaction in the ODE mechanism is identified. Furthermore, the most influential reactions in different time periods of ODEs are also revealed. By removing 11 reactions with the maximum absolute values of sensitivities lower than 10 %, a reduced reaction mechanism of ODEs is derived. The onsets of each time period of ODEs in simulations using the original reaction mechanism and the reduced reaction mechanism are identical while the maximum deviation of the mixing ratio of principal bromine species between different mechanisms is found to be less than 1 %. By performing the principal component analysis on an array of the sensitivity matrices, the dependence of a particular species concentration on a combination of the reaction rates in the mechanism is revealed. Redundant reactions are indicated by principal components corresponding to small eigenvalues and insignificant elements in principal components with large eigenvalues. Through this investigation, aside from the 11 reactions identified as

  9. Structural analysis of CuO / CeO2-based catalytic materials intended for PROX reaction: Part I

    International Nuclear Information System (INIS)

    Neiva, L.S.; Simoes, A.N.; Bispo, A.; Ribeiro, M.A.; Gama, L.

    2011-01-01

    This work relates the synthesis process of CuO/CeO 2 catalytic materials by a combustion reaction method as well as it introduces a structural analysis of the developed material, this structural analysis had as main focus to evaluate the influence of the doping substance (CuO) when being incorporated in the hostess matrix structure that is CeO 2 . The CuO/CeO catalytic materials developed in this work are destined to preferential oxidation of CO reaction (PROX). The developed materials were characterized by XRD, SEM and textural complete analysis by the BET method. According to the results, the CuO incorporation changed crystallinity of the structure of the catalytic materials. On the other hand, the morphologic and textural characteristics did not showed significant differences regarding the presence of the doping substance (CuO) in the structure of the developed materials. The porosity of the structures of the developed catalytic materials belongs to the type macroporous. (author)

  10. Use of deuteron-induced nuclear reactions for quantitative surface analysis

    International Nuclear Information System (INIS)

    Simpson, J.C.B.; Earwaker, L.G.

    1986-01-01

    A summary of the basic features of nuclear reaction analysis is given; particular emphasis is placed on quantitative light element determination using (d,p) and (d,α) reactions. The experimental apparatus is also described, with reference to the 3MV Dynamitron accelerator at the University of Birmingham Radiation Centre. Finally, a set of standard (d, p) spectra for the elements Z=3 to Z=17, using 2 MeV incident deuterons, is included together with examples of the more useful of the (d,α) spectra. (orig.)

  11. Stochastic analysis of complex reaction networks using binomial moment equations.

    Science.gov (United States)

    Barzel, Baruch; Biham, Ofer

    2012-09-01

    The stochastic analysis of complex reaction networks is a difficult problem because the number of microscopic states in such systems increases exponentially with the number of reactive species. Direct integration of the master equation is thus infeasible and is most often replaced by Monte Carlo simulations. While Monte Carlo simulations are a highly effective tool, equation-based formulations are more amenable to analytical treatment and may provide deeper insight into the dynamics of the network. Here, we present a highly efficient equation-based method for the analysis of stochastic reaction networks. The method is based on the recently introduced binomial moment equations [Barzel and Biham, Phys. Rev. Lett. 106, 150602 (2011)]. The binomial moments are linear combinations of the ordinary moments of the probability distribution function of the population sizes of the interacting species. They capture the essential combinatorics of the reaction processes reflecting their stoichiometric structure. This leads to a simple and transparent form of the equations, and allows a highly efficient and surprisingly simple truncation scheme. Unlike ordinary moment equations, in which the inclusion of high order moments is prohibitively complicated, the binomial moment equations can be easily constructed up to any desired order. The result is a set of equations that enables the stochastic analysis of complex reaction networks under a broad range of conditions. The number of equations is dramatically reduced from the exponential proliferation of the master equation to a polynomial (and often quadratic) dependence on the number of reactive species in the binomial moment equations. The aim of this paper is twofold: to present a complete derivation of the binomial moment equations; to demonstrate the applicability of the moment equations for a representative set of example networks, in which stochastic effects play an important role.

  12. Ion beam analysis - development and application of nuclear reaction analysis methods, in particular at a nuclear microprobe

    International Nuclear Information System (INIS)

    Sjoeland, K.A.

    1996-11-01

    This thesis treats the development of Ion Beam Analysis methods, principally for the analysis of light elements at a nuclear microprobe. The light elements in this context are defined as having an atomic number less than approx. 13. The work reported is to a large extent based on multiparameter methods. Several signals are recorded simultaneously, and the data can be effectively analyzed to reveal structures that can not be observed through one-parameter collection. The different techniques are combined in a new set-up at the Lund Nuclear Microprobe. The various detectors for reaction products are arranged in such a way that they can be used for the simultaneous analysis of hydrogen, lithium, boron and fluorine together with traditional PIXE analysis and Scanning Transmission Ion Microscopy as well as photon-tagged Nuclear Reaction Analysis. 48 refs

  13. Analysis of reaction schemes using maximum rates of constituent steps

    Science.gov (United States)

    Motagamwala, Ali Hussain; Dumesic, James A.

    2016-01-01

    We show that the steady-state kinetics of a chemical reaction can be analyzed analytically in terms of proposed reaction schemes composed of series of steps with stoichiometric numbers equal to unity by calculating the maximum rates of the constituent steps, rmax,i, assuming that all of the remaining steps are quasi-equilibrated. Analytical expressions can be derived in terms of rmax,i to calculate degrees of rate control for each step to determine the extent to which each step controls the rate of the overall stoichiometric reaction. The values of rmax,i can be used to predict the rate of the overall stoichiometric reaction, making it possible to estimate the observed reaction kinetics. This approach can be used for catalytic reactions to identify transition states and adsorbed species that are important in controlling catalyst performance, such that detailed calculations using electronic structure calculations (e.g., density functional theory) can be carried out for these species, whereas more approximate methods (e.g., scaling relations) are used for the remaining species. This approach to assess the feasibility of proposed reaction schemes is exact for reaction schemes where the stoichiometric coefficients of the constituent steps are equal to unity and the most abundant adsorbed species are in quasi-equilibrium with the gas phase and can be used in an approximate manner to probe the performance of more general reaction schemes, followed by more detailed analyses using full microkinetic models to determine the surface coverages by adsorbed species and the degrees of rate control of the elementary steps. PMID:27162366

  14. Bayesian inversion analysis of nonlinear dynamics in surface heterogeneous reactions.

    Science.gov (United States)

    Omori, Toshiaki; Kuwatani, Tatsu; Okamoto, Atsushi; Hukushima, Koji

    2016-09-01

    It is essential to extract nonlinear dynamics from time-series data as an inverse problem in natural sciences. We propose a Bayesian statistical framework for extracting nonlinear dynamics of surface heterogeneous reactions from sparse and noisy observable data. Surface heterogeneous reactions are chemical reactions with conjugation of multiple phases, and they have the intrinsic nonlinearity of their dynamics caused by the effect of surface-area between different phases. We adapt a belief propagation method and an expectation-maximization (EM) algorithm to partial observation problem, in order to simultaneously estimate the time course of hidden variables and the kinetic parameters underlying dynamics. The proposed belief propagation method is performed by using sequential Monte Carlo algorithm in order to estimate nonlinear dynamical system. Using our proposed method, we show that the rate constants of dissolution and precipitation reactions, which are typical examples of surface heterogeneous reactions, as well as the temporal changes of solid reactants and products, were successfully estimated only from the observable temporal changes in the concentration of the dissolved intermediate product.

  15. Parametric sensitivity analysis for biochemical reaction networks based on pathwise information theory.

    Science.gov (United States)

    Pantazis, Yannis; Katsoulakis, Markos A; Vlachos, Dionisios G

    2013-10-22

    Stochastic modeling and simulation provide powerful predictive methods for the intrinsic understanding of fundamental mechanisms in complex biochemical networks. Typically, such mathematical models involve networks of coupled jump stochastic processes with a large number of parameters that need to be suitably calibrated against experimental data. In this direction, the parameter sensitivity analysis of reaction networks is an essential mathematical and computational tool, yielding information regarding the robustness and the identifiability of model parameters. However, existing sensitivity analysis approaches such as variants of the finite difference method can have an overwhelming computational cost in models with a high-dimensional parameter space. We develop a sensitivity analysis methodology suitable for complex stochastic reaction networks with a large number of parameters. The proposed approach is based on Information Theory methods and relies on the quantification of information loss due to parameter perturbations between time-series distributions. For this reason, we need to work on path-space, i.e., the set consisting of all stochastic trajectories, hence the proposed approach is referred to as "pathwise". The pathwise sensitivity analysis method is realized by employing the rigorously-derived Relative Entropy Rate, which is directly computable from the propensity functions. A key aspect of the method is that an associated pathwise Fisher Information Matrix (FIM) is defined, which in turn constitutes a gradient-free approach to quantifying parameter sensitivities. The structure of the FIM turns out to be block-diagonal, revealing hidden parameter dependencies and sensitivities in reaction networks. As a gradient-free method, the proposed sensitivity analysis provides a significant advantage when dealing with complex stochastic systems with a large number of parameters. In addition, the knowledge of the structure of the FIM can allow to efficiently address

  16. Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory

    Science.gov (United States)

    Black, Joshua A.; Knowles, Peter J.

    2018-06-01

    The performance of quasi-variational coupled-cluster (QV) theory applied to the calculation of activation and reaction energies has been investigated. A statistical analysis of results obtained for six different sets of reactions has been carried out, and the results have been compared to those from standard single-reference methods. In general, the QV methods lead to increased activation energies and larger absolute reaction energies compared to those obtained with traditional coupled-cluster theory.

  17. Surface reactivity and layer analysis of chemisorbed reaction films in ...

    Indian Academy of Sciences (India)

    Administrator

    Surface reactivity and layer analysis of chemisorbed reaction films in ... in the nitrogen environment. Keywords. Surface reactivity ... sium (Na–K) compounds in the coating or core of the ..... Barkshire I R, Pruton M and Smith G C 1995 Appl. Sur.

  18. Adverse reactions analysis and prevention of antiseptic drug in the obstetrics and gynecology nursing.

    Science.gov (United States)

    Wang, Yongli; Bo, Qing; Zhang, Ying; He, Jing

    2018-05-01

    Antimicrobial agents are widely used in gynecologic inflammation and surgical period, so as to cure some infectious diseases, reduce the chance of surgical incision infection, but at the same time, there are many adverse reactions. The use of nursing interventions in obstetrics and gynecology can significantly reduce the adverse drug reactions in the treatment. The results showed that the incidence of adverse reactions in the observation group was 8.8%, while that in the control group was 15.6%. The incidence of adverse reactions in the observation group was significantly lower than that in the control group (P<0.05). The results showed that the nursing intervention in obstetrics and gynecology could reduce the adverse drug reactions. In a word, the nursing intervention of obstetrics and gynecology can greatly reduce the adverse reaction of antibiotics and has certain application value. It is worth popularizing in clinical practice.

  19. Determination and theoretical analysis of the differential cross sections of the 2H(d,p) reaction at energies and detection angles suitable for NRA (Nuclear Reaction Analysis)

    International Nuclear Information System (INIS)

    Paneta, V.; Axiotis, M.; Lagoyannis, A.; Gastis, P.; Kokkoris, M.; Vlastou, R.; Kontos, A.; Mayer, M.; Misaelides, P.; Perdikakis, G.

    2014-01-01

    The accurate determination of deuteron depth profile presents a strong analytical challenge for all the principal IBA (Ion Beam Analysis) techniques. As far as NRA (Nuclear Reaction Analysis) is concerned, the 2 H(d,p) reaction, seems to be a promising candidate, especially in the case of complex matrices, or for the study of deep-implanted deuteron layers. In the present work differential cross-section values for the 2 H(d,p) reaction have been determined at 140, 160 and 170 degrees, for E d (lab) = 900-1600 keV, with an energy step of 50 keV, using a well-characterized, thin C:D target deposited on a polished Si wafer. The detection system consisted of 3 silicon surface barrier (SSB) detectors (thickness of 1000 μm) placed at a distance of about 11-13 cm from the target, at the appropriate angles. The experimental results were analyzed using the R-matrix calculations code AZURE. The results, in graphical and tabular form, will soon be available to the scientific community through IBANDL

  20. iADRs: towards online adverse drug reaction analysis.

    Science.gov (United States)

    Lin, Wen-Yang; Li, He-Yi; Du, Jhih-Wei; Feng, Wen-Yu; Lo, Chiao-Feng; Soo, Von-Wun

    2012-12-01

    Adverse Drug Reaction (ADR) is one of the most important issues in the assessment of drug safety. In fact, many adverse drug reactions are not discovered during limited pre-marketing clinical trials; instead, they are only observed after long term post-marketing surveillance of drug usage. In light of this, the detection of adverse drug reactions, as early as possible, is an important topic of research for the pharmaceutical industry. Recently, large numbers of adverse events and the development of data mining technology have motivated the development of statistical and data mining methods for the detection of ADRs. These stand-alone methods, with no integration into knowledge discovery systems, are tedious and inconvenient for users and the processes for exploration are time-consuming. This paper proposes an interactive system platform for the detection of ADRs. By integrating an ADR data warehouse and innovative data mining techniques, the proposed system not only supports OLAP style multidimensional analysis of ADRs, but also allows the interactive discovery of associations between drugs and symptoms, called a drug-ADR association rule, which can be further developed using other factors of interest to the user, such as demographic information. The experiments indicate that interesting and valuable drug-ADR association rules can be efficiently mined.

  1. In vitro antibacterial analysis of phenoloxidase reaction products from the sea cucumber Apostichopus japonicus.

    Science.gov (United States)

    Jiang, Jingwei; Zhou, Zunchun; Dong, Ying; Cong, Cong; Guan, Xiaoyan; Wang, Bai; Chen, Zhong; Jiang, Bei; Yang, Aifu; Gao, Shan; Sun, Hongjuan

    2014-08-01

    Three phenoloxidases (POs) of Apostichopus japonicus, AjPOs (AjPO1, AjPO2 and AjPO3), were partially purified from the coelomocytes with an electrophoretic method, and then employed for the in vitro antibacterial analysis. Using L-3,4-dihydroxyphenylalanine (L-DOPA) as a substrate, AjPO1 and AjPO2-derived compounds inhibited the growth of Vibrio splendidus and Staphylococcus aureus, while AjPO3-derived compounds only inhibited the growth of V. splendidus. When dopamine was used as a substrate, AjPO1 and AjPO3-derived compounds inhibited the growth of V. splendidus and Vibrio harveyi, while AjPO2-derived compounds only inhibited the growth of V. splendidus. Moreover, AjPO1-derived compounds showed stronger inhibition in V. harveyi than AjPO3-derived compounds did. However, all of the three AjPO reaction products showed no inhibitions on the growth of Pseudoalteromonas nigrifaciens, Shewanella baltica, Micrococcus lysodeikticus, Streptococcus dysgalactiae and Nocardiopsis sp. with L-DOPA or dopamine as a substrate. Scanning electron microscope (SEM) observation of V. harveyi treated by AjPOs and dopamine showed that AjPO1-derived compounds resulted in massive bacteriolysis, AjPO2-derived compounds caused no obvious alteration on bacterial morphology, and AjPO3-derived compounds increased the ratio of spheroidal bacteria. All these results suggested that AjPO reaction products derived by L-DOPA and dopamine had different but limited antibacterial spectrum, and the different antibacterial effects observed among three AjPOs resulted from the different reaction products generated by AjPOs with the same substrate. Copyright © 2014 Elsevier Ltd. All rights reserved.

  2. Nanoscopic analysis using Maruhn-Greiner theory by energy based variables in lattice for low energy nuclear reactions (LENRs)

    International Nuclear Information System (INIS)

    Cho, Hyo Sung; WooTae Ho

    2016-01-01

    Maruhn-Greiner theory is investigated for the low energy nuclear reactions (LENRs) in the aspect of the energy productions. Conventional nuclear reactions could give the hints in another kind of the nuclear theoretical utilizations. The results of simulations show the ranges of the configurations for H-ion to Pd with 10; 000 ions as 10 and 180 keV. The most probable ranges are 30 and 600 nanometers respectively. In the simulation result of broad energy regions, the cutoff energy, 350 keV , is very significant in analyzing the LENR, because the range usually depends on the entering particle, target particle, and energy of the entering particle. Therefore, the 350 keV shows there is priority for hydrogen interaction from the energy. In the analysis, the water (H_2O) has the better possibility in LENR after the 350 keV . Following the simulation for searching LENRs, the possible conditions that include the energy based variables of atomic ranges, Debye length, and reaction time has been investigated for the designed energy productions

  3. Multilayer Network Analysis of Nuclear Reactions

    Science.gov (United States)

    Zhu, Liang; Ma, Yu-Gang; Chen, Qu; Han, Ding-Ding

    2016-08-01

    The nuclear reaction network is usually studied via precise calculation of differential equation sets, and much research interest has been focused on the characteristics of nuclides, such as half-life and size limit. In this paper, however, we adopt the methods from both multilayer and reaction networks, and obtain a distinctive view by mapping all the nuclear reactions in JINA REACLIB database into a directed network with 4 layers: neutron, proton, 4He and the remainder. The layer names correspond to reaction types decided by the currency particles consumed. This combined approach reveals that, in the remainder layer, the β-stability has high correlation with node degree difference and overlapping coefficient. Moreover, when reaction rates are considered as node strength, we find that, at lower temperatures, nuclide half-life scales reciprocally with its out-strength. The connection between physical properties and topological characteristics may help to explore the boundary of the nuclide chart.

  4. Predictors of chronic ankle instability: Analysis of peroneal reaction time, dynamic balance and isokinetic strength.

    Science.gov (United States)

    Sierra-Guzmán, Rafael; Jiménez, Fernando; Abián-Vicén, Javier

    2018-05-01

    Previous studies have reported the factors contributing to chronic ankle instability, which could lead to more effective treatments. However, factors such as the reflex response and ankle muscle strength have not been taken into account in previous investigations. Fifty recreational athletes with chronic ankle instability and 55 healthy controls were recruited. Peroneal reaction time in response to sudden inversion, isokinetic evertor muscle strength and dynamic balance with the Star Excursion Balance Test and the Biodex Stability System were measured. The relationship between the Cumberland Ankle Instability Tool score and performance on each test was assessed and a backward multiple linear regression analysis was conducted. Participants with chronic ankle instability showed prolonged peroneal reaction time, poor performance in the Biodex Stability System and decreased reach distance in the Star Excursion Balance Test. No significant differences were found in eversion and inversion peak torque. Moderate correlations were found between the Cumberland Ankle Instability Tool score and the peroneal reaction time and performance on the Star Excursion Balance Test. Peroneus brevis reaction time and the posteromedial and lateral directions of the Star Excursion Balance Test accounted for 36% of the variance in the Cumberland Ankle Instability Tool. Dynamic balance deficits and delayed peroneal reaction time are present in participants with chronic ankle instability. Peroneus brevis reaction time and the posteromedial and lateral directions of the Star Excursion Balance Test were the main contributing factors to the Cumberland Ankle Instability Tool score. No clear strength impairments were reported in unstable ankles. Copyright © 2018 Elsevier Ltd. All rights reserved.

  5. Test analysis and research on static choice reaction ability of commercial vehicle drivers

    Science.gov (United States)

    Zhang, Lingchao; Wei, Lang; Qiao, Jie; Tian, Shun; Wang, Shengchang

    2017-03-01

    Drivers' choice reaction ability has a certain relation with safe driving. It has important significance to research its influence on traffic safety. Firstly, the paper uses a choice reaction detector developed by research group to detect drivers' choice reaction ability of commercial vehicles, and gets 2641 effective samples. Then by using mathematical statistics method, the paper founds that average reaction time from accident group has no difference with non-accident group, and then introduces a variance rate of reaction time as a new index to replace it. The result shows that the test index choice reaction errors and variance rate of reaction time have positive correlations with accidents. Finally, according to testing results of the detector, the paper formulates a detection threshold with four levels for helping transportation companies to assess commercial vehicles drivers.

  6. Gas Chromatographic-Ion Trap Mass Spectrometric Analysis of Volatile Organic Compounds by Ion-Molecule Reactions Using the Electron-Deficient Reagent Ion CCl{3/+}

    Science.gov (United States)

    Wang, Cheng-Zhong; Su, Yue; Wang, Hao-Yang; Guo, Yin-Long

    2011-10-01

    When using tetrachloromethane as the reagent gas in gas chromatography-ion trap mass spectrometry equipped with hybrid ionization source, the cation CCl{3/+} was generated in high abundance and further gas-phase experiments showed that such an electron-deficient reagent ion CCl{3/+} could undergo interesting ion-molecule reactions with various volatile organic compounds, which not only present some informative gas-phase reactions, but also facilitate qualitative analysis of diverse volatile compounds by providing unique mass spectral data that are characteristic of particular chemical structures. The ion-molecule reactions of the reagent ion CCl{3/+} with different types of compounds were studied, and results showed that such reactions could give rise to structurally diagnostic ions, such as [M + CCl3 - HCl]+ for aromatic hydrocarbons, [M - OH]+ for saturated cyclic ether, ketone, and alcoholic compounds, [M - H]+ ion for monoterpenes, M·+ for sesquiterpenes, [M - CH3CO]+ for esters, as well as the further fragment ions. The mechanisms of ion-molecule reactions of aromatic hydrocarbons, aliphatic ketones and alcoholic compounds with the reagent ion CCl{3/+} were investigated and proposed according to the information provided by MS/MS experiments and theoretical calculations. Then, this method was applied to study volatile organic compounds in Dendranthema indicum var. aromaticum and 20 compounds, including monoterpenes and their oxygen-containing derivatives, aromatic hydrocarbon and sesquiterpenes were identified using such ion-molecule reactions. This study offers a perspective and an alternative tool for the analysis and identification of various volatile compounds.

  7. A comparison of approximation techniques for variance-based sensitivity analysis of biochemical reaction systems

    Directory of Open Access Journals (Sweden)

    Goutsias John

    2010-05-01

    Full Text Available Abstract Background Sensitivity analysis is an indispensable tool for the analysis of complex systems. In a recent paper, we have introduced a thermodynamically consistent variance-based sensitivity analysis approach for studying the robustness and fragility properties of biochemical reaction systems under uncertainty in the standard chemical potentials of the activated complexes of the reactions and the standard chemical potentials of the molecular species. In that approach, key sensitivity indices were estimated by Monte Carlo sampling, which is computationally very demanding and impractical for large biochemical reaction systems. Computationally efficient algorithms are needed to make variance-based sensitivity analysis applicable to realistic cellular networks, modeled by biochemical reaction systems that consist of a large number of reactions and molecular species. Results We present four techniques, derivative approximation (DA, polynomial approximation (PA, Gauss-Hermite integration (GHI, and orthonormal Hermite approximation (OHA, for analytically approximating the variance-based sensitivity indices associated with a biochemical reaction system. By using a well-known model of the mitogen-activated protein kinase signaling cascade as a case study, we numerically compare the approximation quality of these techniques against traditional Monte Carlo sampling. Our results indicate that, although DA is computationally the most attractive technique, special care should be exercised when using it for sensitivity analysis, since it may only be accurate at low levels of uncertainty. On the other hand, PA, GHI, and OHA are computationally more demanding than DA but can work well at high levels of uncertainty. GHI results in a slightly better accuracy than PA, but it is more difficult to implement. OHA produces the most accurate approximation results and can be implemented in a straightforward manner. It turns out that the computational cost of the

  8. Functional data analysis on ground reaction force of military load carriage increment

    Science.gov (United States)

    Din, Wan Rozita Wan; Rambely, Azmin Sham

    2014-06-01

    Analysis of ground reaction force on military load carriage is done through functional data analysis (FDA) statistical technique. The main objective of the research is to investigate the effect of 10% load increment and to find the maximum suitable load for the Malaysian military. Ten military soldiers age 31 ± 6.2 years, weigh 71.6 ± 10.4 kg and height of 166.3 ± 5.9 cm carrying different military load range from 0% body weight (BW) up to 40% BW participated in an experiment to gather the GRF and kinematic data using Vicon Motion Analysis System, Kirstler force plates and thirty nine body markers. The analysis is conducted in sagittal, medial lateral and anterior posterior planes. The results show that 10% BW load increment has an effect when heel strike and toe-off for all the three planes analyzed with P-value less than 0.001 at 0.05 significant levels. FDA proves to be one of the best statistical techniques in analyzing the functional data. It has the ability to handle filtering, smoothing and curve aligning according to curve features and points of interest.

  9. Analysis and characterization of heavy residues produced in 129Xe + natSn reactions between 8 and 25 AMeV

    International Nuclear Information System (INIS)

    Moisan, J.

    2008-06-01

    Studies with the INDRA multidetector of the 129 Xe + nat Sn reactions showed the unexpected existence of heavy fragments with a charge as large as Z=70. The charges of Xe and Sn are 54 and 50 respectively. Reactions between nuclei with a charge product greater than 2700 are dominated by deep inelastic collisions. For Xe + Sn the product is exactly 2700. After these observations, 129 Xe + nat Sn reactions at 8, 12, 15, 20 and 25 AMeV have been done. It will then be possible to clarify if the heavy residues are formed by an incomplete fusion, massive transfers occurring in deep inelastic collisions or a very asymmetric fission of a compound system. This work will present experimental results obtained by the analysis of these experiments. We will show that heavy residues are formed with a production cross-section of 10 -2 mb. Angular distributions show that the residues can be produced by an incomplete fusion of the projectile and the target. The study of the products in coincidence with the residues shows that a compound system was formed, followed by a fission producing the residue and a lighter fragment. The comparison with a phenomenological model, HIPSE, confirms that the model is valid at these energies

  10. Reaction kinetic analysis of reactor surveillance data

    Energy Technology Data Exchange (ETDEWEB)

    Yoshiie, T., E-mail: yoshiie@rri.kyoto-u.ac.jp [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka-fu 590-0494 (Japan); Kinomura, A. [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka-fu 590-0494 (Japan); Nagai, Y. [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan)

    2017-02-15

    In the reactor pressure vessel surveillance data of a European-type pressurized water reactor (low-Cu steel), it was found that the concentration of matrix defects was very high, and a large number of precipitates existed. In this study, defect structure evolution obtained from surveillance data was simulated by reaction kinetic analysis using 15 rate equations. The saturation of precipitation and the growth of loops were simulated, but it was not possible to explain the increase in DBTT on the basis of the defect structures. The sub-grain boundary segregation of solutes was discussed for the origin of the DBTT increase.

  11. Status of CONRAD, a nuclear reaction analysis tool

    International Nuclear Information System (INIS)

    Saint Jean, C. de; Habert, B.; Litaize, O.; Noguere, G.; Suteau, C.

    2008-01-01

    The development of a software tool (CONRAD) was initiated at CEA/Cadarache to give answers to various problems arising in the data analysis of nuclear reactions. This tool is then characterized by the handling of uncertainties from experimental values to covariance matrices for multi-group cross sections. An object oriented design was chosen allowing an easy interface with graphical tool for input/output data and being a natural framework for innovative nuclear models (Fission). The major achieved developments are a data model for describing channels, nuclear reactions, nuclear models and processes with interface to classical data formats, theoretical calculations for the resolved resonance range (Reich-Moore) and unresolved resonance range (Hauser-Feshbach, Gilbert-Cameron,...) with nuclear model parameters adjustment on experimental data sets and a Monte Carlo method based on conditional probabilities developed to calculate properly covariance matrices. The on-going developments deal with the experimental data description (covariance matrices) and the graphical user interface. (authors)

  12. Numerical Analysis Of Hooke Jeeves-Runge Kutta To Determine Reaction Rate Equation In Pyrrole Polymerization

    International Nuclear Information System (INIS)

    Gunawan, Indra; Sulistyo, Harry; Rochmad

    2001-01-01

    The numerical analysis of Hooke Jeeves Methods combined with Runge Kutta Methods is used to determine the exact model of reaction rate equation of pyrrole polymerization. Chemical polymerization of pyrrole was conducted with FeCI 3 / pyrrole solution at concentration ratio of 1.62 mole / mole and 2.18 mole / mole with varrying temperature of 28, 40, 50, and 60 o C. FeCl 3 acts as an oxidation agent to form pyrrole cation that will polymerize. The numerical analysis was done to examine the exact model of reaction rate equation which is derived from reaction equation of initiation, propagation, and termination. From its numerical analysis, it is found that the pyrrole polymerization follows third order of pyrrole cation concentration

  13. MONITORING REACTIONS IN ALKALINE DIRECT ETHANOL FUEL CELLS ASSEMBLED WITH NON-PT-CATALYST

    OpenAIRE

    Gülzow, Erich; Beyer, Monique; Friedrich, K. Andreas; Pengel, Stefanie; Fischer, Peter; Bettermann, Hans

    2011-01-01

    This contribution shows how Raman spectroscopy can be used to pursue chemical reactions within fuel cells. For this, the oxidation of ethanol occurring in an alkaline direct ethanolic fuel cell was investigated. The analysis of a sequence of Raman spectra recorded during the reaction shows that ethanol was solely oxidized to acetate in a unique reaction.

  14. Sensitive inexpensive spectrophotometric and spectrofluorimetric analysis of ezogabine, levetiracetam and topiramate in tablet formulations using Hantzsch condensation reaction

    Science.gov (United States)

    Ibrahim, F. A.; El-Yazbi, A. F.; Wagih, M. M.; Barary, M. A.

    2017-09-01

    Two highly sensitive, simple and selective spectrophotometric and spectrofluorimetric assays have been investigated for the analysis of ezogabine, levetiracetam and topiramate in their pure and in pharmaceutical dosage forms. The suggested methods depend on the condensation of the primary amino-groups in the three drugs with acetylacetone and formaldehyde according to Hantzsch reaction yielding highly fluorescent yellow colored dihydropyridine derivatives. The reaction products of ezogabine, levetiracetam and topiramate were measured spectrophotometrically at 418, 390 and 380 nm or spectrofluorimetrically at λem/ex of 495/425 nm, 490/415 nm and 488/410 nm, respectively. Various experimental conditions have been carefully studied to maximize the reaction yield. At the optimum reaction conditions, the calibration curves were rectilinear over the concentration ranges of 8-25, 60-180 and 80-200 μg/mL spectrophotometrically and 0.02-0.2, 0.2-1.2 and 0.2-1.5 μg/mL spectrofluorimetrically for ezogabine, levetiracetam and topiramate, respectively with good correlation coefficients. The suggested methods were applied successfully for the analysis of ezogabine, levetiracetam and topiramate in their commercial tablets with high percentage recoveries and negligible interference from various excipients in pharmaceutical dosage forms. The results were statistically analyzed and showed the absence of any significant difference between both developed and published methods. The procedures were validated and evaluated by the ICH guidelines revealing good reproducibility and accuracy. Therefore, the two proposed methods may be considered of high interest for practical and reliable analysis of ezogabine, levetiracetam and topiramate in pharmaceutical dosage forms.

  15. Prediction of Support Reaction Forces of ITA via Response Spectrum Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Kwak, Jin Sung; Jeong, Joon Ho; Lee, Sang Jin; Oh, Jin Ho; Lee, Jong Min [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    The irradiation targets are transferred along pipes between TTS (Target Transfer Station) and ITA (Irradiation Tube Assembly) by hydraulic forces. The ITA corresponds to the vertical guide tube for irradiation targets inside a reactor, and it penetrates the reactor structure. Because the ITA is classified into seismic category II, its structural integrity must be evaluated by the seismic analysis. To approach more realistic problem, the interaction between the ITA and the reactor structure must be considered. However, this paper is focused on the preliminary analysis, and it is simplified that only the response of the ITA caused by earthquake affects the reactor structure. The response of the ITA is predicted by the spectrum response analysis based on the FDRS (Floor Design Response Spectra) of KJRR. Finally, the reaction forces corresponding to the load transfer into the reactor structure are estimated by using ANSYS. In this study, the reaction forces due to the earthquake are estimated by the response spectrum analysis. For the saving computational time and resource required, the FE model with beam element is constructed, and it is confirmed that the accuracy of the solution is acceptable by comparing the results of the solid model.

  16. Partial wave analysis of the 18O(p,α0)15N reaction

    International Nuclear Information System (INIS)

    Wild, L.W.J.; Spicer, B.M.

    1979-01-01

    A partial wave analysis of the differential cross sections for the 18 O(p,α 0 ) 15 N reaction has been carried out applying the formalism of Blatt and Biedenharn (1952), made specific for this reaction. The differential cross sections, measured at 200 keV intervals from 6.6 to 10.4 MeV bombarding energy, were subjected to least-squares fitting to this specific analytic expression. Two resonances were given by the analysis, the 19 F states being at 14.71+-0.07 MeV (1/2 - ) and 14.80 + 0.07 MeV (1/2) +

  17. Variation in reaction norms: Statistical considerations and biological interpretation.

    Science.gov (United States)

    Morrissey, Michael B; Liefting, Maartje

    2016-09-01

    Analysis of reaction norms, the functions by which the phenotype produced by a given genotype depends on the environment, is critical to studying many aspects of phenotypic evolution. Different techniques are available for quantifying different aspects of reaction norm variation. We examine what biological inferences can be drawn from some of the more readily applicable analyses for studying reaction norms. We adopt a strongly biologically motivated view, but draw on statistical theory to highlight strengths and drawbacks of different techniques. In particular, consideration of some formal statistical theory leads to revision of some recently, and forcefully, advocated opinions on reaction norm analysis. We clarify what simple analysis of the slope between mean phenotype in two environments can tell us about reaction norms, explore the conditions under which polynomial regression can provide robust inferences about reaction norm shape, and explore how different existing approaches may be used to draw inferences about variation in reaction norm shape. We show how mixed model-based approaches can provide more robust inferences than more commonly used multistep statistical approaches, and derive new metrics of the relative importance of variation in reaction norm intercepts, slopes, and curvatures. © 2016 The Author(s). Evolution © 2016 The Society for the Study of Evolution.

  18. Erythema-index of clinical patch test reactions

    DEFF Research Database (Denmark)

    Jemec, G B; Johansen, J D

    1995-01-01

    that the method could be used for the grading of eczematous reactions in a clinical setting as well. OBJECTIVE: To assess the usefulness of the erythema index for the quantification of eczematous reactions using the Derma-Spectrometer (Cortex technology, Hadsund, Denmark) in a clinical setting. METHOD......: The erythema index of 56 patch test reactions ranging from +? to +++, was compared to regional controls and negative patch tests (189). The effects of intrumental application pressure was studied in 5 volunteers. Statistical analysis was carried out using Mann-Whitney and Jonckheere-Terpstra tests. RESULTS......: The erythema-index was significantly higher in all degrees of patch test reactions than in uninvolved regional skin or negative patch tests. It also showed a significant positive trend for higher values in +, ++ and +++ reactions (P

  19. Thermal analysis experiment for elucidating sodium-water chemical reaction mechanism in steam generator of sodium-cooled fast reactor

    International Nuclear Information System (INIS)

    Kikuchi, Shin; Kurihara, Akikazu; Ohshima, Hiroyuki

    2012-01-01

    For the purpose of elucidating the mechanism of the sodium-water surface reaction in a steam generator of sodium-cooled fast reactors, kinetic study of the sodium (Na)-sodium hydroxide (NaOH) reaction has been carried out by using Differential Thermal Analysis (DTA) technique. The parameters, including melting points of Na and NaOH, phase transition temperature of NaOH, Na-NaOH reaction temperature, and decomposition temperature of sodium hydride (NaH) have been identified from DTA curves. Based on the measured reaction temperature, rate constant of sodium monoxide (Na 2 O) generation was obtained. Thermal analysis results indicated that Na 2 O generation at the secondary overall reaction should be considered during the sodium-water reaction. (author)

  20. Dynamical structure analysis of crystalline-state reaction and elucidation of chemical reactivity in crystalline environment

    International Nuclear Information System (INIS)

    Ohashi, Yuji

    2010-01-01

    It was found that a chiral alkyl group bonded to the cobalt atom in a cobalt complex crystal was racemized with retention of the single crystal form on exposure to visible light. Such reactions, which are called crystalline-state reactions, have been found in a variety of cobalt complex crystals. The concept of reaction cavity was introduced to explain the reaction rate quantitatively and the chirality of the photo-product. The new diffractometers and detectors were made for rapid data collection. The reaction mechanism was also elucidated using neutron diffraction analysis. The unstable reaction intermediates were analyzed using cryo-trapping method. The excited-state structures were obtained at the equilibrium state between ground and excited states. (author)

  1. 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.

  2. Hydrogen release from irradiated elastomers measured by Nuclear Reaction Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Jagielski, J., E-mail: jacek.jagielski@itme.edu.pl [Institute for Electronic Materials Technology, Wolczynska 133, 01-926 Warszawa (Poland); National Centre for Nuclear Research, A. Soltana 7, 05-400 Swierk/Otwock (Poland); Ostaszewska, U. [Institute for Engineering of Polymer Materials & Dyes, Division of Elastomers & Rubber Technology, Harcerska 30, 05-820 Piastow (Poland); Bielinski, D.M. [Technical University of Lodz, Institute of Polymer & Dye Technology, Stefanowskiego 12/16, 90-924 Lodz (Poland); Grambole, D. [Institute of Ion Beam Physics and Materials Research, Helmholtz Zentrum Dresden Rossendorf, PO Box 51 01 19, D-01314 Dresden (Germany); Romaniec, M.; Jozwik, I.; Kozinski, R. [Institute for Electronic Materials Technology, Wolczynska 133, 01-926 Warszawa (Poland); Kosinska, A. [National Centre for Nuclear Research, A. Soltana 7, 05-400 Swierk/Otwock (Poland)

    2016-03-15

    Ion irradiation appears as an interesting method of modification of elastomers, especially friction and wear properties. Main structural effect caused by heavy ions is a massive loss of hydrogen from the surface layer leading to its smoothening and shrinking. The paper presents the results of hydrogen release from various elastomers upon irradiation with H{sup +}, He{sup +} and Ar{sup +} studied by using Nuclear Reaction Analysis (NRA) method. The analysis of the experimental data indicates that the hydrogen release is controlled by inelastic collisions between ions and target electrons. The last part of the study was focused on preliminary analysis of mechanical properties of irradiated rubbers.

  3. Importance Performance Analysis as a Trade Show Performance Evaluation and Benchmarking Tool

    OpenAIRE

    Tafesse, Wondwesen; Skallerud, Kåre; Korneliussen, Tor

    2010-01-01

    Author's accepted version (post-print). The purpose of this study is to introduce importance performance analysis as a trade show performance evaluation and benchmarking tool. Importance performance analysis considers exhibitors’ performance expectation and perceived performance in unison to evaluate and benchmark trade show performance. The present study uses data obtained from exhibitors of an international trade show to demonstrate how importance performance analysis can be used to eval...

  4. Physiological environment induce quick response - slow exhaustion reactions

    Directory of Open Access Journals (Sweden)

    Noriko eHiroi

    2011-09-01

    Full Text Available In vivo environments are highly crowded and inhomogeneous, which may affect reaction processes in cells. In this study we examined the effects of intracellular crowding and an inhomogeneity on the behavior of in vivo reactions by calculating the spectral dimension (ds, which can be translated into the reaction rate function. We compared estimates of anomaly parameters obtained from Fluorescence Correlation Spectroscopy (FCS data with fractal dimensions derived from Transmission Electron Microscopy (TEM image analysis. FCS analysis indicated that the anomalous property was linked to physiological structure. Subsequent TEM analysis provided an in vivo illustration; soluble molecules likely percolate between intracellular clusters, which are constructed in a self-organizing manner. We estimated a cytoplasmic spectral dimension ds to be 1.39 ± 0.084. This result suggests that in vivo reactions initially run faster than the same reactions in a homogeneous space; this conclusion is consistent with the anomalous character indicated by FCS analysis. We further showed that these results were compatible with our Monte-Carlo simulation in which the anomalous behavior of mobile molecules correlates with the intracellular environment, leading to description as a percolation cluster, as demonstrated using TEM analysis. We confirmed by the simulation that the above-mentioned in vivo like properties are different from those of homogeneously concentrated environments. Additionally, simulation results indicated that crowding level of an environment might affect diffusion rate of reactant. Such knowledge of the spatial information enables us to construct realistic models for in vivo diffusion and reaction systems.

  5. Metabolic control analysis of biochemical pathways based on a thermokinetic description of reaction rates

    DEFF Research Database (Denmark)

    Nielsen, Jens Bredal

    1997-01-01

    Metabolic control analysis is a powerful technique for the evaluation of flux control within biochemical pathways. Its foundation is the elasticity coefficients and the flux control coefficients (FCCs). On the basis of a thermokinetic description of reaction rates it is here shown...... that the elasticity coefficients can be calculated directly from the pool levels of metabolites at steady state. The only requirement is that one thermodynamic parameter be known, namely the reaction affinity at the intercept of the tangent in the inflection point of the curve of reaction rate against reaction...... of the thermokinetic description of reaction rates to include the influence of effecters. Here the reaction rate is written as a linear function of the logarithm of the metabolite concentrations. With this type of rate function it is shown that the approach of Delgado and Liao [Biochem. J. (1992) 282, 919-927] can...

  6. System of gait analysis based on ground reaction force assessment

    Directory of Open Access Journals (Sweden)

    František Vaverka

    2015-12-01

    Full Text Available Background: Biomechanical analysis of gait employs various methods used in kinematic and kinetic analysis, EMG, and others. One of the most frequently used methods is kinetic analysis based on the assessment of the ground reaction forces (GRF recorded on two force plates. Objective: The aim of the study was to present a method of gait analysis based on the assessment of the GRF recorded during the stance phase of two steps. Methods: The GRF recorded with a force plate on one leg during stance phase has three components acting in directions: Fx - mediolateral, Fy - anteroposterior, and Fz - vertical. A custom-written MATLAB script was used for gait analysis in this study. This software displays instantaneous force data for both legs as Fx(t, Fy(t and Fz(t curves, automatically determines the extremes of functions and sets the visual markers defining the individual points of interest. Positions of these markers can be easily adjusted by the rater, which may be necessary if the GRF has an atypical pattern. The analysis is fully automated and analyzing one trial takes only 1-2 minutes. Results: The method allows quantification of temporal variables of the extremes of the Fx(t, Fy(t, Fz(t functions, durations of the braking and propulsive phase, duration of the double support phase, the magnitudes of reaction forces in extremes of measured functions, impulses of force, and indices of symmetry. The analysis results in a standardized set of 78 variables (temporal, force, indices of symmetry which can serve as a basis for further research and diagnostics. Conclusions: The resulting set of variable offers a wide choice for selecting a specific group of variables with consideration to a particular research topic. The advantage of this method is the standardization of the GRF analysis, low time requirements allowing rapid analysis of a large number of trials in a short time, and comparability of the variables obtained during different research measurements.

  7. Meta-analysis to obtain a scale of psychological reaction after perinatal loss: focus on miscarriage

    Directory of Open Access Journals (Sweden)

    Annsofie Adolfsson

    2011-03-01

    Full Text Available Annsofie Adolfsson1,21School of Life Sciences, University of Skövde, 2Department of Obstetrics and Gynecology, Skaraborg Hospital, Skövde, SwedenAbstract: Pregnancy has different meanings to different women depending upon their circumstances. A number of qualitative studies have described the experience of miscarriage by women who had desired to carry their pregnancy to full term. The aim of this meta-analysis was to identify a scale of psychological reaction to miscarriage. Meta-analysis is a quantitative approach for reviewing articles from scientific journals through statistical analysis of findings from individual studies. In this review, a meta-analytic method was used to identify and analyze psychological reactions in women who have suffered a miscarriage. Different reactions to stress associated with the period following miscarriage were identified. The depression reaction had the highest average, weighted, unbiased estimate of effect (d+ = 0.99 and was frequently associated with the experience of perinatal loss. Psychiatric morbidity was found after miscarriage in 27% of cases by a diagnostic interview ten days after miscarriage. The grief reaction had a medium d+ of 0.56 in the studies included. However, grief after miscarriage differed from other types of grief after perinatal loss because the parents had no focus for their grief. The guilt is greater after miscarriage than after other types of perinatal loss. Measurement of the stress reaction and anxiety reaction seems to be difficult in the included studies, as evidenced by a low d+ (0.17 and 0.16, respectively. It has been recommended that grief after perinatal loss be measured by an adapted instrument called the Perinatal Grief Scale Short Version.Keywords: psychological, perinatal loss, pregnancy, depression 

  8. Reaction trajectory revealed by a joint analysis of protein data bank.

    Science.gov (United States)

    Ren, Zhong

    2013-01-01

    Structural motions along a reaction pathway hold the secret about how a biological macromolecule functions. If each static structure were considered as a snapshot of the protein molecule in action, a large collection of structures would constitute a multidimensional conformational space of an enormous size. Here I present a joint analysis of hundreds of known structures of human hemoglobin in the Protein Data Bank. By applying singular value decomposition to distance matrices of these structures, I demonstrate that this large collection of structural snapshots, derived under a wide range of experimental conditions, arrange orderly along a reaction pathway. The structural motions along this extensive trajectory, including several helical transformations, arrive at a reverse engineered mechanism of the cooperative machinery (Ren, companion article), and shed light on pathological properties of the abnormal homotetrameric hemoglobins from α-thalassemia. This method of meta-analysis provides a general approach to structural dynamics based on static protein structures in this post genomics era.

  9. Reaction trajectory revealed by a joint analysis of protein data bank.

    Directory of Open Access Journals (Sweden)

    Zhong Ren

    Full Text Available Structural motions along a reaction pathway hold the secret about how a biological macromolecule functions. If each static structure were considered as a snapshot of the protein molecule in action, a large collection of structures would constitute a multidimensional conformational space of an enormous size. Here I present a joint analysis of hundreds of known structures of human hemoglobin in the Protein Data Bank. By applying singular value decomposition to distance matrices of these structures, I demonstrate that this large collection of structural snapshots, derived under a wide range of experimental conditions, arrange orderly along a reaction pathway. The structural motions along this extensive trajectory, including several helical transformations, arrive at a reverse engineered mechanism of the cooperative machinery (Ren, companion article, and shed light on pathological properties of the abnormal homotetrameric hemoglobins from α-thalassemia. This method of meta-analysis provides a general approach to structural dynamics based on static protein structures in this post genomics era.

  10. 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.

  11. Modeling chemical reactions for drug design.

    Science.gov (United States)

    Gasteiger, Johann

    2007-01-01

    Chemical reactions are involved at many stages of the drug design process. This starts with the analysis of biochemical pathways that are controlled by enzymes that might be downregulated in certain diseases. In the lead discovery and lead optimization process compounds have to be synthesized in order to test them for their biological activity. And finally, the metabolism of a drug has to be established. A better understanding of chemical reactions could strongly help in making the drug design process more efficient. We have developed methods for quantifying the concepts an organic chemist is using in rationalizing reaction mechanisms. These methods allow a comprehensive modeling of chemical reactivity and thus are applicable to a wide variety of chemical reactions, from gas phase reactions to biochemical pathways. They are empirical in nature and therefore allow the rapid processing of large sets of structures and reactions. We will show here how methods have been developed for the prediction of acidity values and of the regioselectivity in organic reactions, for designing the synthesis of organic molecules and of combinatorial libraries, and for furthering our understanding of enzyme-catalyzed reactions and of the metabolism of drugs.

  12. On the Complexity of Reconstructing Chemical Reaction Networks

    DEFF Research Database (Denmark)

    Fagerberg, Rolf; Flamm, Christoph; Merkle, Daniel

    2013-01-01

    The analysis of the structure of chemical reaction networks is crucial for a better understanding of chemical processes. Such networks are well described as hypergraphs. However, due to the available methods, analyses regarding network properties are typically made on standard graphs derived from...... the full hypergraph description, e.g. on the so-called species and reaction graphs. However, a reconstruction of the underlying hypergraph from these graphs is not necessarily unique. In this paper, we address the problem of reconstructing a hypergraph from its species and reaction graph and show NP...

  13. MALDI MS-based Composition Analysis of the Polymerization Reaction of Toluene Diisocyanate (TDI) and Ethylene Glycol (EG).

    Science.gov (United States)

    Ahn, Yeong Hee; Lee, Yeon Jung; Kim, Sung Ho

    2015-01-01

    This study describes an MS-based analysis method for monitoring changes in polymer composition during the polyaddition polymerization reaction of toluene diisocyanate (TDI) and ethylene glycol (EG). The polymerization was monitored as a function of reaction time using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS). The resulting series of polymer adducts terminated with various end-functional groups were precisely identified and the relative compositions of those series were estimated. A new MALDI MS data interpretation method was developed, consisting of a peak-resolving algorithm for overlapping peaks in MALDI MS spectra, a retrosynthetic analysis for the generation of reduced unit mass peaks, and a Gaussian fit-based selection of the most prominent polymer series among the reconstructed unit mass peaks. This method of data interpretation avoids errors originating from side reactions due to the presence of trace water in the reaction mixture or MALDI analysis. Quantitative changes in the relative compositions of the resulting polymer products were monitored as a function of reaction time. These results demonstrate that the mass data interpretation method described herein can be a powerful tool for estimating quantitative changes in the compositions of polymer products arising during a polymerization reaction.

  14. Applications of the photo-nuclear reaction data for activation analysis

    International Nuclear Information System (INIS)

    Odsuren, M.; Khuukhenkhuu, G.; Turbold, A.; Davaa, S.; Baatarkhuu, D.

    2015-01-01

    In the relative method of activation analysis by continuum wide spectrum gamma-rays the same isotope is usually used for standard reference element and sample material in connection with different dependence of the reaction cross sections on the irradiation beam energy. But, in practice suitable isotopes for reference element are not always available. So, in this paper, we suggest a new method for photo-activation analysis in which is used the correction factor. This factor takes into account the difference in the photo-nuclear reaction cross section dependence on the gamma-ray energy for standard reference isotope and sample elements. The correction factor is determined by three methods of experimental, theoretical and TALYS evaluation. Pure metal foils of Au, Cu and Mo were irradiated by bremsstrahlung gamma-rays on the electron cyclic accelerator Microtron MT-22 at the Nuclear Research Center, National University of Mongolia. Gamma spectra of the activated metal foils were measured by HP-Ge detector to obtain element contents in the samples. It was shown that experimental results with correction factors are satisfactorily in agreement with real values of the element contents in the samples

  15. Software news and update PyFrag - Streamlining your reaction path analysis

    NARCIS (Netherlands)

    van Zeist, W.-J.; Fonseca Guerra, C.; Bickelhaupt, F.M.

    2008-01-01

    The PyFrag program (released as PyFrag2007.01) is a "wrap-around" for the Amsterdam Density Functional (ADF) package and facilitates the extension of the fragment analysis method implemented in ADF along an entire potential energy surface. The purpose is to make analyses of reaction paths and other

  16. Reaction Decoder Tool (RDT): extracting features from chemical reactions.

    Science.gov (United States)

    Rahman, Syed Asad; Torrance, Gilliean; Baldacci, Lorenzo; Martínez Cuesta, Sergio; Fenninger, Franz; Gopal, Nimish; Choudhary, Saket; May, John W; Holliday, Gemma L; Steinbeck, Christoph; Thornton, Janet M

    2016-07-01

    Extracting chemical features like Atom-Atom Mapping (AAM), Bond Changes (BCs) and Reaction Centres from biochemical reactions helps us understand the chemical composition of enzymatic reactions. Reaction Decoder is a robust command line tool, which performs this task with high accuracy. It supports standard chemical input/output exchange formats i.e. RXN/SMILES, computes AAM, highlights BCs and creates images of the mapped reaction. This aids in the analysis of metabolic pathways and the ability to perform comparative studies of chemical reactions based on these features. This software is implemented in Java, supported on Windows, Linux and Mac OSX, and freely available at https://github.com/asad/ReactionDecoder : asad@ebi.ac.uk or s9asad@gmail.com. © The Author 2016. Published by Oxford University Press.

  17. Lab-on-a-chip based total-phosphorus analysis device utilizing a photocatalytic reaction

    Science.gov (United States)

    Jung, Dong Geon; Jung, Daewoong; Kong, Seong Ho

    2018-02-01

    A lab-on-a-chip (LOC) device for total phosphorus (TP) analysis was fabricated for water quality monitoring. Many commercially available TP analysis systems used to estimate water quality have good sensitivity and accuracy. However, these systems also have many disadvantages such as bulky size, complex pretreatment processes, and high cost, which limit their application. In particular, conventional TP analysis systems require an indispensable pretreatment step, in which the fluidic analyte is heated to 120 °C for 30 min to release the dissolved phosphate, because many phosphates are soluble in water at a standard temperature and pressure. In addition, this pretreatment process requires elevated pressures of up to 1.1 kg cm-2 in order to prevent the evaporation of the heated analyte. Because of these limiting conditions required by the pretreatment processes used in conventional systems, it is difficult to miniaturize TP analysis systems. In this study, we employed a photocatalytic reaction in the pretreatment process. The reaction was carried out by illuminating a photocatalytic titanium dioxide (TiO2) surface formed in a microfluidic channel with ultraviolet (UV) light. This pretreatment process does not require elevated temperatures and pressures. By applying this simplified, photocatalytic-reaction-based pretreatment process to a TP analysis system, greater degrees of freedom are conferred to the design and fabrication of LOC devices for TP monitoring. The fabricated LOC device presented in this paper was characterized by measuring the TP concentration of an unknown sample, and comparing the results with those measured by a conventional TP analysis system. The TP concentrations of the unknown sample measured by the proposed LOC device and the conventional TP analysis system were 0.018 mgP/25 mL and 0.019 mgP/25 mL, respectively. The experimental results revealed that the proposed LOC device had a performance comparable to the conventional bulky TP analysis

  18. ANALYSIS OF A POSSIBLE REDUCTION IN ENERGY CONSUMPTION IN WATER ELECTROLYSIS REACTION

    Directory of Open Access Journals (Sweden)

    Aurel George POPESCU

    2013-05-01

    Full Text Available It was experimentally observed that the electrolysis reaction continues a short period of time - time torelax c - after the cell power supply is interrupted. This paper presents an analysis of transient phenomenaoccurring and pr opose technical solutions

  19. Substrate-Coated Illumination Droplet Spray Ionization: Real-Time Monitoring of Photocatalytic Reactions

    Science.gov (United States)

    Zhang, Hong; Li, Na; Zhao, Dandan; Jiang, Jie; You, Hong

    2017-09-01

    Real-time monitoring of photocatalytic reactions facilitates the elucidation of the mechanisms of the reactions. However, suitable tools for real-time monitoring are lacking. Herein, a novel method based on droplet spray ionization named substrate-coated illumination droplet spray ionization (SCI-DSI) for direct analysis of photocatalytic reaction solution is reported. SCI-DSI addresses many of the analytical limitations of electrospray ionization (ESI) for analysis of photocatalytic-reaction intermediates, and has potential for both in situ analysis and real-time monitoring of photocatalytic reactions. In SCI-DSI-mass spectrometry (MS), a photocatalytic reaction occurs by loading sample solutions onto the substrate-coated cover slip and by applying UV light above the modified slip; one corner of this slip adjacent to the inlet of a mass spectrometer is the high-electric-field location for launching a charged-droplet spray. After both testing and optimizing the performance of SCI-DSI, the value of this method for in situ analysis and real-time monitoring of photocatalytic reactions was demonstrated by the removal of cyclophosphamide (CP) in TiO2/UV. Reaction times ranged from seconds to minutes, and the proposed reaction intermediates were captured and identified by tandem mass spectrometry. Moreover, the free hydroxyl radical (·OH) was identified as the main radicals for CP removal. These results show that SCI-DSI is suitable for in situ analysis and real-time monitoring of CP removal under TiO2-based photocatalytic reactions. SCI-DSI is also a potential tool for in situ analysis and real-time assessment of the roles of radicals during CP removal under TiO2-based photocatalytic reactions. Graphical Abstract[Figure not available: see fulltext.

  20. Assumption-free analysis of quantitative real-time polymerase chain reaction (PCR) data

    NARCIS (Netherlands)

    Ramakers, Christian; Ruijter, Jan M.; Deprez, Ronald H. Lekanne; Moorman, Antoon F. M.

    2003-01-01

    Quantification of mRNAs using real-time polymerase chain reaction (PCR) by monitoring the product formation with the fluorescent dye SYBR Green I is being extensively used in neurosciences, developmental biology, and medical diagnostics. Most PCR data analysis procedures assume that the PCR

  1. Analysis of the potential geochemical reactions in the Enceladus' hydrothermal environment

    Science.gov (United States)

    Ramirez-Cabañas, A. K.; Flandes, A.

    2017-12-01

    Enceladus is the sixth largest moon of Saturn and differs from its other moons, because of its cryovolcanic geysers that emanate from its south pole. The instruments of the Cassini spacecraft reveal different compounds in the gases and the dust of the geysers, such as salts (sodium chloride, sodium bicarbonate and/or sodium carbonate), as well as silica traces (Postberg et al., 2008, 2009) that could be the result of a hydrothermal environment (Hsu et al., 2014, Sekine et al., 2014). By means of a thermodynamic analysis, we propose and evaluate potential geochemical reactions that could happen from the interaction between the nucleus surface and the inner ocean of Enceladus. These reactions may well lead to the origin of the compounds found in the geysers. From this analysis, we propose that, at least, two minerals must be present in the condritic nucleus of Enceladus: olivines (fayalite and fosterite) and feldspar (orthoclase and albite). Subsequently, taking as reference the hydrothermal processes that take place on Earth, we propose the different stages of a potential hydrothermal scenario for Enceladus.

  2. A Systematic Approach for the Design and Analysis of Reaction-Separation Systems with Recycle

    DEFF Research Database (Denmark)

    Gani, Rafiqul; Jimenez, Edgar Ramirez

    2004-01-01

    This paper presents a methodology for a systematic model-based analysis and the results obtained from it for an integrated design and analysis of reaction-separation systems with recycle. The methodology (systematic approach) consists of three stages where stage 1 identifies the limiting values...

  3. Analysis of the effects of reaction parameters upon the molecular weight of an aromatic poly(hydrazide) through experimental design

    International Nuclear Information System (INIS)

    Gomes, Dominique; Pinto, Jose Carlos; Borges, Cristiano P.; Nunes, Suzana P.

    2001-01-01

    Samples of an aromatic poly(hydrazide) were synthesized through low temperature solution polycondensation reactions. Monomers were characterized by nuclear magnetic resonance (NMR) and thermal analysis. The polymer material was characterized by intrinsic viscosity measurements and by NMR. The thermal behavior of the polymer samples was studied by thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC). The effect of various factors that influence the course of the polymerization reaction, such as concentration of monomer and electrolyte (LiCl) in the reaction medium, purity of the monomers, reaction temperature and reaction time, were investigated. Reaction conditions were then optimized in order to allow the preparation of high molecular weight polymer resins. Values of intrinsic viscosity obtained for the poly(hydrazide) in N-methyl-2-pyrrolidone were as high as 1.51 dL/g. (author)

  4. Quantitative analysis of total starch content in wheat flour by reaction headspace gas chromatography.

    Science.gov (United States)

    Xie, Wei-Qi; Gong, Yi-Xian; Yu, Kong-Xian

    2017-09-01

    This paper proposed a new reaction headspace gas chromatographic (HS-GC) method for efficiently quantifying the total starch content in wheat flours. A certain weight of wheat flour was oxidized by potassium dichromate in an acidic condition in a sealed headspace vial. The results show that the starch in wheat flour can be completely transferred to carbon dioxide at the given conditions (at 100 °C for 40 min) and the total starch content in wheat flour sample can be indirectly quantified by detecting the CO 2 formed from the oxidation reaction. The data showed that the relative standard deviation of the reaction HS-GC method in the precision test was less than 3.06%, and the relative differences between the new method and the reference method (titration method) were no more than 8.90%. The new reaction HS-GC method is automated, accurate, and can be a reliable tool for determining the total starch content in wheat flours in both laboratory and industrial applications. Graphical abstract The total starch content in wheat flour can be indirectly quantified by the GC detection of the CO 2 formed from the oxidation reaction between wheat flour and potassium dichromate in an acidic condition.

  5. Combined steam and carbon dioxide reforming of methane and side reactions: Thermodynamic equilibrium analysis and experimental application

    International Nuclear Information System (INIS)

    Jang, Won-Jun; Jeong, Dae-Woon; Shim, Jae-Oh; Kim, Hak-Min; Roh, Hyun-Seog; Son, In Hyuk; Lee, Seung Jae

    2016-01-01

    Highlights: • Selected variables have a significant influence on yields of synthesis gas. • (CO_2 + H_2O)/CH_4 affects the temperature which can achieve the maximum conversion. • Coke is formed at low temperatures even with excess oxidizing agent. • The occurrence of RWGS becomes critical in real chemical reactions. • Equilibrium conversions are maintained for 500 h without detectable deactivation. - Abstract: Thermodynamic equilibrium analysis of the combined steam and carbon dioxide reforming of methane (CSCRM) and side reactions was performed using total Gibbs free energy minimization. The effects of (CO_2 + H_2O)/CH_4 ratio (0.9–2.9), CO_2:H_2O ratio (3:1–1:3), and temperature (500–1000 °C) on the equilibrium conversions, yields, coke yield, and H_2/CO ratio were investigated. A (CO_2 + H_2O)/CH_4 ratio greater than 1.2, a CO_2:H_2O ratio of 1:2.1, and a temperature of at least 850 °C are preferable reaction conditions for the synthesis gas preparation in the gas to liquid process. Simulated conditions were applied to the CSCRM reaction and the experimental data were compared with the thermodynamic equilibrium results. The thermodynamic equilibrium results were mostly consistent with the experimental data, but the reverse water gas shift reaction rapidly occurred in the real chemical reaction and under excess oxidizing agent conditions. In addition, a long-term stability test (under simulated conditions) showed that the equilibrium conversion was maintained for 500 h and that the coke formation on the used catalyst was not observed.

  6. Current problems in (n,2n) reactions

    Energy Technology Data Exchange (ETDEWEB)

    Cindro, N; Frehaut, J

    1975-01-01

    Two kinds of problems related to (n,2n) reactions are briefly discussed. The first one is the understanding of the reaction mechanism. The nucleus evaporation formulas overestimate the experimental values of the cross sections. This difference can be accounted for either by reestimating the relative values of GAMMA sub(..gamma..) and GAMMA sub(n) or by adding nonequilibrium process contributions. The second problem is the Csikai-Petoe effect. A more extensive analysis of the data shows that they are not in agreement with its predictions.

  7. Current problems in (n,2n) reactions

    International Nuclear Information System (INIS)

    Cindro, N.; Frehaut, J.

    1975-01-01

    Two kinds of problems related to (n,2n) reactions are briefly discussed. The first one is the understanding of the reaction mechanism. The nucleus evaporation formulas overestimate the experimental values of the cross sections. This difference can be accounted for either by reestimating the relative values of GAMMA sub(γ) and GAMMA sub(n) or by adding nonequilibrium process contributions. The second problem is the Csikai-Petoe effect. A more extensive analysis of the data shows that they are not in agreement with its predictions [fr

  8. Bifurcation Analysis of Gene Propagation Model Governed by Reaction-Diffusion Equations

    Directory of Open Access Journals (Sweden)

    Guichen Lu

    2016-01-01

    Full Text Available We present a theoretical analysis of the attractor bifurcation for gene propagation model governed by reaction-diffusion equations. We investigate the dynamical transition problems of the model under the homogeneous boundary conditions. By using the dynamical transition theory, we give a complete characterization of the bifurcated objects in terms of the biological parameters of the problem.

  9. Interfacial reactions in intermetallic matrix composites

    International Nuclear Information System (INIS)

    Cantrell, L.B.; Clevenger, E.M.; Perepezko, J.H.

    1993-01-01

    The thermal stability of advanced composites is dominated by the behavior of internal interfaces. Analysis of these internal interfaces often involves consideration of at least ternary order phase equilibria. Limited thermodynamic data exists for ternary and higher order systems. However, a combined approach based upon the use of binary data to estimate ternary phase equilibria and experimentally determined reaction pathways is effective in the analysis of interface reactions in composite systems. In blended powder samples, thermal analysis was used to find possible reaction temperatures, while X-ray analysis, EDS, and EPMA of diffusion couples were used to assess interdiffusion reaction pathways. The approach is illustrated by compatibility studies between TiAl and TiSi 2 at 1,100 C, and in-situ reactions between B 4 C and TiAl at 1300 C where multiple reaction sequences have been analyzed to provide guidance for the design of in-situ reaction processing of composites

  10. Mining chemical reactions using neighborhood behavior and condensed graphs of reactions approaches.

    Science.gov (United States)

    de Luca, Aurélie; Horvath, Dragos; Marcou, Gilles; Solov'ev, Vitaly; Varnek, Alexandre

    2012-09-24

    This work addresses the problem of similarity search and classification of chemical reactions using Neighborhood Behavior (NB) and Condensed Graphs of Reaction (CGR) approaches. The CGR formalism represents chemical reactions as a classical molecular graph with dynamic bonds, enabling descriptor calculations on this graph. Different types of the ISIDA fragment descriptors generated for CGRs in combination with two metrics--Tanimoto and Euclidean--were considered as chemical spaces, to serve for reaction dissimilarity scoring. The NB method has been used to select an optimal combination of descriptors which distinguish different types of chemical reactions in a database containing 8544 reactions of 9 classes. Relevance of NB analysis has been validated in generic (multiclass) similarity search and in clustering with Self-Organizing Maps (SOM). NB-compliant sets of descriptors were shown to display enhanced mapping propensities, allowing the construction of better Self-Organizing Maps and similarity searches (NB and classical similarity search criteria--AUC ROC--correlate at a level of 0.7). The analysis of the SOM clusters proved chemically meaningful CGR substructures representing specific reaction signatures.

  11. Multivariate curve resolution using a combination of mid-infrared and near-infrared spectra for the analysis of isothermal epoxy curing reaction

    Science.gov (United States)

    Yamasaki, Hideki; Morita, Shigeaki

    2018-05-01

    Multivariate curve resolution (MCR) was applied to a hetero-spectrally combined dataset consisting of mid-infrared (MIR) and near-infrared (NIR) spectra collected during the isothermal curing reaction of an epoxy resin. An epoxy monomer, bisphenol A diglycidyl ether (BADGE), and a hardening agent, 4,4‧-diaminodiphenyl methane (DDM), were used for the reaction. The fundamental modes of the Nsbnd H and Osbnd H stretches were highly overlapped in the MIR region, while their first overtones could be independently identified in the NIR region. The concentration profiles obtained by MCR using the hetero-spectral combination showed good agreement with the results of calculations based on the Beer-Lambert law and the mass balance. The band assignments and absorption sites estimated by the analysis also showed good agreement with the results using two-dimensional (2D) hetero-correlation spectroscopy.

  12. Optimizing Nuclear Reaction Analysis (NRA) using Bayesian Experimental Design

    International Nuclear Information System (INIS)

    Toussaint, Udo von; Schwarz-Selinger, Thomas; Gori, Silvio

    2008-01-01

    Nuclear Reaction Analysis with 3 He holds the promise to measure Deuterium depth profiles up to large depths. However, the extraction of the depth profile from the measured data is an ill-posed inversion problem. Here we demonstrate how Bayesian Experimental Design can be used to optimize the number of measurements as well as the measurement energies to maximize the information gain. Comparison of the inversion properties of the optimized design with standard settings reveals huge possible gains. Application of the posterior sampling method allows to optimize the experimental settings interactively during the measurement process.

  13. Kinetics Analysis of Synthesis Reaction of Struvite With Air-Flow Continous Vertical Reactors

    Science.gov (United States)

    Edahwati, L.; Sutiyono, S.; Muryanto, S.; Jamari, J.; Bayuseno, dan A. P.

    2018-01-01

    Kinetics reaction is a knowledge about a rate of chemical reaction. The differential of the reaction rate can be determined from the reactant material or the formed material. The reaction mechanism of a reactor may include a stage of reaction occurring sequentially during the process of converting the reactants into products. In the determination of reaction kinetics, the order of reaction and the rate constant reaction must be recognized. This study was carried out using air as a stirrer as a medium in the vertical reactor for crystallization of struvite. Stirring is one of the important aspects in struvite crystallization process. Struvite crystals or magnesium ammonium phosphate hexahydrates (MgNH4PO4·6H2O) is commonly formed in reversible reactions and can be generated as an orthorhombic crystal. Air is selected as a stirrer on the existing flow pattern in the reactor determining the reaction kinetics of the crystal from the solution. The experimental study was conducted by mixing an equimolar solution of 0.03 M NH4OH, MgCl2 and H3PO4 with a ratio of 1: 1: 1. The crystallization process of the mixed solution was observed in an inside reactor at the flow rate ranges of 16-38 ml/min and the temperature of 30°C was selected in the study. The air inlet rate was kept constant at 0.25 liters/min. The pH solution was adjusted to be 8, 9 and 10 by dropping wisely of 1 N KOH solution. The crystallization kinetics was examined until the steady state of the reaction was reached. The precipitates were filtered and dried at a temperature for subsequent material characterization, including Scanning Electron Microscope (SEM) and XRD (X-Ray diffraction) method. The results show that higher flow rate leads to less mass of struvite.

  14. Different microscopic interpretations of the reaction-telegrapher equation

    Energy Technology Data Exchange (ETDEWEB)

    Campos, Daniel; Mendez, Vicenc [Grup de Fisica EstadIstica, Departament de Fisica, Universitat Autonoma de Barcelona, 08193 Bellaterra (Barcelona) (Spain)

    2009-02-20

    In this paper we provide some new insights into the microscopic interpretation of the telegrapher's and the reaction-telegrapher equations. We use the framework of continuous-time random walks to derive the telegrapher's equation from two different perspectives reported before: the kinetic derivation (KD) and the delayed random-walk derivation (DRWD). We analyze the similarities and the differences between both derivations, paying special attention to the case when a reaction process is also present in the system. As a result, we are able to show that the equivalence between the KD and the DRWD can break down when transport and reaction are coupled processes. Also, this analysis allows us to elaborate on the specific role of relaxation effects in reaction-diffusion processes.

  15. Analysis of trace gases at ppb levels by proton transfer reaction mass spectrometry (PTR-MS)

    International Nuclear Information System (INIS)

    Lindinger, W.; Hansel, A.

    1996-01-01

    A proton transfer reaction mass spectrometry (PTR-MS) system has been developed which allows for on-line measurements of trace gas components with concentrations as low as 1 ppb. The method is based on reactions of H 3 O + ions, which perform non-dissociative proton transfer to most of the common organic trace constituents but do not react with any of the components present in clean air. Examples of medical information obtained by means of breath analysis, of environmental trace analysis, and examples in the field of food chemistry demonstrate the wide applicability of the method. (Authors)

  16. Reaction of Pentanol isomers with OH radical – A theoretical perspective

    Science.gov (United States)

    Aazaad, Basheer; Lakshmipathi, Senthilkumar

    2018-05-01

    The stability of all the three isomeric forms of Pentanol has been examined with relative energy analysis. Even though 2-Pentanol is predicted to be most stable isomeric form, all the three isomeric forms undergo hydrogen atom abstraction reaction with OH radical. Among the proposed 18 different hydrogen atom abstraction reaction, the abstraction from CH2 and CH functional group is found to be a favourable reactive site with low energy barrier in M06-2X/6-311+G(d,p) level of theory. Wiberg bond order analysis shows all the abstraction reactions are concreted but not synchronic in nature. Using force analysis, the calculated work done of individual reaction regions illustrates that structural rearrangements drive the reaction with higher contribution to the energy barrier. The rate constant calculated at M06-2X method for the most favourable reaction is well matched with available experimental data. Using the reported atmospheric OH concentration (1 × 106 molecules/cm3), the life time of 1-Pentanol, 2-Pentanol and 3-Pentanol has calculated to be 18.66, 0.36 and 2.86 days, respectively.

  17. Steady-state isotopic transient kinetic analysis investigation of CO-O2 and CO-NO reactions over a commercial automotive catalyst

    International Nuclear Information System (INIS)

    Oukaci, R.; Blackmond, D.G.; Goodwin, J.G. Jr.; Gallaher, G.R.

    1992-01-01

    In this paper, steady-state isotopic transient kinetic analysis (SSITKA) is used to study two model reactions, CO oxidation and CO-NO reactions, on a typical formulation of a three-way auto-catalyst. Under steady-state conditions, abrupt switches in the isotopic composition of CO ( 12 C 16 O/ 13 C 18 O) were carried out to produce isotopic transients in both labeled reactants and products. Along with the determination of the average surface lifetimes and concentrations of reaction intermediates, an analysis of the transient responses along the carbon reaction pathway indicated that the distribution of active sites for the formation of CO 2 was bimodal for both reactions. Furthermore, relatively few surface sites contributed to the overall reaction rate

  18. Reaction between protein radicals and other biomolecules

    DEFF Research Database (Denmark)

    Østdal, H.; Davies, M.J.; Andersen, Henrik Jørgen

    2002-01-01

    The present study investigates the reactivity of bovine serum albumin (BSA) radicals towards different biomolecules (urate, linoleic acid, and a polypeptide, poly(Glu-Ala-Tyr)). The BSA radical was formed at room temperature through a direct protein-to-protein radical transfer from H(2)O(2....... Subsequent analysis showed a decrease in the concentration of urate upon reaction with the BSA radical, while the BSA radical in the presence of poly(Glu-Ala-Tyr) resulted in increased formation of the characteristic protein oxidation product, dityrosine. Reaction between the BSA radical and a linoleic acid...

  19. Compositional analysis of silicon nitride films on Si and GaAs by backscattering spectrometry and nuclear resonance reaction analysis

    International Nuclear Information System (INIS)

    Kumar, Sanjiv; Raju, V.S.

    2004-01-01

    This paper describes the application of proton and α-backscattering spectrometry for the determination of atomic ratio of Si to N in 1100-5000 A silicon nitride films on Si and GaAs. The conventional α-Rutherford backscattering spectrometry is suitable for the analysis of films on Si; it is rather inadequate for films on GaAs due to higher background from the substrate. It is shown that these films can be analysed by 14 N(α,α) 14 N scattering with 3.5 MeV α-particles. Proton elastic scattering with enhanced cross sections for 28 Si(p,p) 28 Si and 14 N(p,p) 14 N scatterings, is also suitable for analysing films on GaAs. However, the analysis of films on Si by this technique is difficult due to interferences between the signals of Si from the film and the substrate. In addition, the hydrogen content in films is determined by 1 H( 19 F,αγ) 16 O nuclear reaction analysis using the resonance at 6.4 MeV. The combination of backscattering spectrometry with nuclear reaction analysis provides compositional analysis of ternary Si 1-(x+y) N x H y films

  20. Quantitative analysis of skin reaction by reflectance spectrophotometer. Acute reaction following proton therapy

    International Nuclear Information System (INIS)

    Kawashima, Mitsuhiko; Okumura, Toshiyuki; Tatsuzaki, Hideo; Tsuji, Hiroshi; Tsujii, Hirohiko.

    1994-01-01

    Acute reactions induced by proton irradiation were measured using a reflectance spectrophotometer, which is commonly used in the printing and textile industries. In this method, the skin color was expressed by three parameters, lightness (L * ), chroma (C * ) and hue (h). At first, in order to evaluate the accuracy of this spectrophotometer, the skin color of a normal volunteer was measured 100 times. The values of the three parameters for normal skin were as follows (mean values and standard deviation), L * : 68.64±0.29, C * : 19.08±0.13, h: 69.41±0.76. The standard deviations with regard to L * and h, were considered to be sufficiently small when compared with the changes of these parameters (prefix: Δ) in the irradiated sites (ΔL * * and h values significantly decreased with time, and the L * values were highly correlated with elapsed treatment days. The h values had a relatively low linear correlation compared with L * . The C * values had no trends as the treatment period was extended. Among these parameters, the L * values were the most valuable for assessment of proton-induced skin reactions, and it was suggested that the L * values measured with this spectrophotometer were a useful index for showing biological effects induced by proton irradiation. Further experiments are needed to apply this method to quantify the biological effects induced by other forms of ionizing radiation. (author)

  1. Sedation for pediatric radiological procedures: analysis of potential causes of sedation failure and paradoxical reactions

    International Nuclear Information System (INIS)

    Karian, V.E.; Burrows, P.E.; Connor, L.; Zurakowski, D.; Mason, K.P.

    1999-01-01

    Background. Sedation for diagnostic imaging and interventional radiologic procedures in pediatrics has greatly increased over the past decade. With appropriate patient selection and monitoring, serious adverse effects are infrequent, but failure to sedate and paradoxical reactions do occur. Objective. The purpose of this study was to determine, among patients undergoing sedation for radiologic procedures, the incidence of sedation failure and paradoxical reaction to pentobarbital and to identify potentially correctable causes. Materials and methods. Records of 1665 patients who were sedated in the radiology department from 1 November 1997 to 1 July 1998 were reviewed. Patients failing sedation or experiencing paradoxical reaction were compared with respect to sex, age group, diagnosis, scan type, time of day, NPO status, use of IV contrast and type of sedation agent using the Fisher exact test, Pearson chi-square, analysis of variance (ANOVA), the Student t-test, and logistic regression. Results. Data analysis revealed a sedation failure rate of 1 % and paradoxical reaction rate of 1.2 %. Stepwise multiple logistic regression revealed that the only significant independent multivariate predictor of failure was the need for the administration of a combination of pentobarbital, fentanyl, and midazolam IV. Conclusion. The low rate of sedation failure and paradoxical reactions to pentobarbital was near optimal and probably cannot be improved with the currently available sedatives. (orig.)

  2. Sedation for pediatric radiological procedures: analysis of potential causes of sedation failure and paradoxical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Karian, V.E.; Burrows, P.E.; Connor, L. [Dept. of Radiology, Children' s Hospital, Boston, MA (United States); Zurakowski, D. [Dept. of Biostatistics, Children' s Hospital, Boston, MA (United States); Mason, K.P. [Dept. of Anesthesiology, Children' s Hospital, Boston, MA (United States)

    1999-11-01

    Background. Sedation for diagnostic imaging and interventional radiologic procedures in pediatrics has greatly increased over the past decade. With appropriate patient selection and monitoring, serious adverse effects are infrequent, but failure to sedate and paradoxical reactions do occur. Objective. The purpose of this study was to determine, among patients undergoing sedation for radiologic procedures, the incidence of sedation failure and paradoxical reaction to pentobarbital and to identify potentially correctable causes. Materials and methods. Records of 1665 patients who were sedated in the radiology department from 1 November 1997 to 1 July 1998 were reviewed. Patients failing sedation or experiencing paradoxical reaction were compared with respect to sex, age group, diagnosis, scan type, time of day, NPO status, use of IV contrast and type of sedation agent using the Fisher exact test, Pearson chi-square, analysis of variance (ANOVA), the Student t-test, and logistic regression. Results. Data analysis revealed a sedation failure rate of 1 % and paradoxical reaction rate of 1.2 %. Stepwise multiple logistic regression revealed that the only significant independent multivariate predictor of failure was the need for the administration of a combination of pentobarbital, fentanyl, and midazolam IV. Conclusion. The low rate of sedation failure and paradoxical reactions to pentobarbital was near optimal and probably cannot be improved with the currently available sedatives. (orig.)

  3. Influence of transesterification reaction temperature on biodiesel production

    Energy Technology Data Exchange (ETDEWEB)

    Pighinelli, Anna Leticia Montenegro Turtelli; Zorzeto, Thais Queiroz; Park, Kil Jin [Universidade Estadual de Campinas (FEAGRI/UNICAMP), SP (Brazil). Fac. de Engenharia Agricola], E-mail: annalets@agr.unicamp.br; Bevilaqua, Gabriela [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica

    2008-07-01

    Brazilian government policy has authorized the introduction of biodiesel into the national energy matrix, law no.11.097 of January 13th, 2005. It is necessary, like any new product, to invest in research which is able to cover its entire production chain (planting of oilseeds, vegetable oils extraction and chemical reactions), providing data and relevant information in order to optimize the process and solve critical issues. The objective of this work was to study the effects of temperature on crude sunflower transesterification reaction with ethanol. A central composite experimental design with five variation levels (25 deg, 32 deg, 47.5 deg, 64 deg and 70 deg C) was used and response surface methodology applied for the data analysis. The statistical analysis of the results showed that the production suffered the influence of temperature (linear and quadratic effects) and reaction time (linear and quadratic). The generated models did not show significant regression. The model generated was not well suited to the experimental data and the value of the coefficient of determination (R{sup 2}=0.52) was low. Consequently it was not possible to build the response surface. (author)

  4. Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Lin; Maroudas, Dimitrios, E-mail: maroudas@ecs.umass.edu [Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003-9303 (United States); Hammond, Karl D. [Department of Chemical Engineering, University of Missouri, Columbia, Missouri 65211 (United States); Wirth, Brian D. [Department of Nuclear Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States)

    2015-10-28

    We report the results of a systematic atomic-scale analysis of the reactions of small mobile helium clusters (He{sub n}, 4 ≤ n ≤ 7) near low-Miller-index tungsten (W) surfaces, aiming at a fundamental understanding of the near-surface dynamics of helium-carrying species in plasma-exposed tungsten. These small mobile helium clusters are attracted to the surface and migrate to the surface by Fickian diffusion and drift due to the thermodynamic driving force for surface segregation. As the clusters migrate toward the surface, trap mutation (TM) and cluster dissociation reactions are activated at rates higher than in the bulk. TM produces W adatoms and immobile complexes of helium clusters surrounding W vacancies located within the lattice planes at a short distance from the surface. These reactions are identified and characterized in detail based on the analysis of a large number of molecular-dynamics trajectories for each such mobile cluster near W(100), W(110), and W(111) surfaces. TM is found to be the dominant cluster reaction for all cluster and surface combinations, except for the He{sub 4} and He{sub 5} clusters near W(100) where cluster partial dissociation following TM dominates. We find that there exists a critical cluster size, n = 4 near W(100) and W(111) and n = 5 near W(110), beyond which the formation of multiple W adatoms and vacancies in the TM reactions is observed. The identified cluster reactions are responsible for important structural, morphological, and compositional features in the plasma-exposed tungsten, including surface adatom populations, near-surface immobile helium-vacancy complexes, and retained helium content, which are expected to influence the amount of hydrogen re-cycling and tritium retention in fusion tokamaks.

  5. Applications of Nuclear Reaction Analysis for Semiconductor Industry

    International Nuclear Information System (INIS)

    Wei Luncun

    2003-01-01

    Many thin film samples used in the semiconductor industry contain C, N and O. The detection limits and accuracy obtained by Rutherford Backscattering Spectroscopy (RBS) measurement are limited due to the small cross section values. High energy non-Rutherford backscattering is often used to enhance the sensitivities. But non-Rutherford cross section values are irregular and can not be calculated as normal Rutherford backscattering values. It is also difficult to find an appropriate energy window that for all these elements, and high-energy ions are needed. In this paper, the Nuclear Reaction Analysis (NRA) method is used to simultaneously measure C, N and O. several applications in the semiconductor research, development, and manufacturing areas are presented

  6. Analysis of agility, reaction time and balance variables at badminton players aged 9-14 years

    Directory of Open Access Journals (Sweden)

    Seydi Ahmet Ağaoğlu

    2017-12-01

    Full Text Available Aim: The aim of this study was investigated agility, static and dynamic balance and reaction time variables of badminton players aged between 9-14 and relate with among variables. Material and Methods: In Samsun, 19 males (sport age, 3.42±1.64 years and 12 females (3.00±1.28 years active badminton players were voluntarily participated in who are in 9-14 ages range. Agility was measured by “T” test, CSMI-Tecnobody Pk-252 isokinetic balance system measuring instrument was used to test static balance and dynamic balance and Mozart Lafayette reaction measuring instrument was used to test visual and auditory reaction times of players. Spearman correlation analysis was applied so as to correlation analysis. The level of significance was taken as p<0.05. Results: For female athletes, a positive relation was determined between the agility and the perimeter (mm used (r=0.727; p<0.01 through the static balance measure double foot and eyes are open. For male athletes, a positive relation was determined between the visual reaction time and the perimeter (mm used (r=0.725; p<0.01 through the static balance measure dominant foot and eyes are open. For male and female athletes were not found any correlation between reaction time and dynamic balance. Conclusion: It was determined that audio (ears and visual (eyes reaction time was effective on balance. While badminton players are closed eyes, audio sensors are more influence on balance test through measure dominant foot.

  7. Analysis of the proton-induced reactions at 150 MeV - 24 GeV by high energy nuclear reaction code JAM

    International Nuclear Information System (INIS)

    Niita, Koji; Nara, Yasushi; Takada, Hiroshi; Nakashima, Hiroshi; Chiba, Satoshi; Ikeda, Yujiro

    1999-09-01

    We are developing a nucleon-meson transport code NMTC/JAM, which is an upgraded version of NMTC/JAERI. NMTC/JAM implements the high energy nuclear reaction code JAM for the infra-nuclear cascade part. By using JAM, the upper limits of the incident energies in NMTC/JAERI, 3.5 GeV for nucleons and 2.5 GeV for mesons, are increased drastically up to several hundreds GeV. We have modified the original JAM code in order to estimate the residual nucleus and its excitation energy for nucleon or pion induced reactions by assuming a simple model for target nucleus. As a result, we have succeeded in lowering the applicable energies of JAM down to about 150 MeV. In this report, we describe the main components of JAM code, which should be implemented in NMTC/JAM, and compare the results calculated by JAM code with the experimental data and with those by LAHET2.7 code for proton induced reactions from 150 MeV to several 10 GeV. It has been found that the results of JAM can reproduce quite well the experimental double differential cross sections of neutrons and pions emitted from the proton induced reactions from 150 MeV to several 10 GeV. On the other hand, the results of LAHET2.7 show the strange behavior of the angular distribution of nucleons and pions from the reactions above 4 GeV. (author)

  8. Quantitative and Selective Analysis of Feline Growth Related Proteins Using Parallel Reaction Monitoring High Resolution Mass Spectrometry.

    Directory of Open Access Journals (Sweden)

    Mårten Sundberg

    Full Text Available Today immunoassays are widely used in veterinary medicine, but lack of species specific assays often necessitates the use of assays developed for human applications. Mass spectrometry (MS is an attractive alternative due to high specificity and versatility, allowing for species-independent analysis. Targeted MS-based quantification methods are valuable complements to large scale shotgun analysis. A method referred to as parallel reaction monitoring (PRM, implemented on Orbitrap MS, has lately been presented as an excellent alternative to more traditional selected reaction monitoring/multiple reaction monitoring (SRM/MRM methods. The insulin-like growth factor (IGF-system is not well described in the cat but there are indications of important differences between cats and humans. In feline medicine IGF-I is mainly analyzed for diagnosis of growth hormone disorders but also for research, while the other proteins in the IGF-system are not routinely analyzed within clinical practice. Here, a PRM method for quantification of IGF-I, IGF-II, IGF binding protein (BP -3 and IGFBP-5 in feline serum is presented. Selective quantification was supported by the use of a newly launched internal standard named QPrEST™. Homology searches demonstrated the possibility to use this standard of human origin for quantification of the targeted feline proteins. Excellent quantitative sensitivity at the attomol/μL (pM level and selectivity were obtained. As the presented approach is very generic we show that high resolution mass spectrometry in combination with PRM and QPrEST™ internal standards is a versatile tool for protein quantitation across multispecies.

  9. Analysis of the consequences of 'thermite' reaction

    International Nuclear Information System (INIS)

    Yorio, Daniel; Cincotta, Daniel O.; Camacho, Esteban F.; Bruno, Hernan R.; Boero, Norma L.

    1999-01-01

    The mixture of Al-U 3 O 8 is not in a state of chemical equilibrium, and at temperatures of between 850 degree C and 1000 degree C, it reacts exo thermally. This is known, in corresponding bibliography, as a 'Thermite reaction'. This mixture is used in the manufacturing of the plate-type fuel used in research reactors. It has been pointed out that the release of energy caused by this type of reactions might represent a risk in case of accidents in this type of reactor. Conclusions, in general, tend to indicate that no such risk exists, although no concrete assurance is given that this is the case, and this fact, therefore, leaves room for doubt. The objective of this paper is to provide an in-depth study of what happens to a fuel plate when it is subjected to thermite reaction. We will, furthermore, analyze the consequences of the release of energy generated by this type of reaction within the core of the reactor, clearly defining the problem for this type of fuel and this kind of reactor

  10. Radiation reaction force and unification of electromagnetic and gravitational fields

    International Nuclear Information System (INIS)

    Lo, C.Y.; Goldstein, G.R.; Napier, A.

    1981-04-01

    A unified theory of electromagnetic and gravitational fields should modify classical electrodynamics such that the radiation reaction force is accounted for. The analysis leads to a five-dimensional unified theory of five variables. The theory is supported by showing that, for the case of a charged particle moving in a constant magnetic field, the radiation reaction force is indeed included. Moreover, this example shows explicitly that physical changes are associated with the fifth variable. Thus, the notion of a physical five-dimensional space should be seriously taken into consideration

  11. Quantitative Analysis of Homogeneous Electrocatalytic Reactions at IDA Electrodes: The Example of [Ni(PPh2NBn2)2]2+

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Fei; Parkinson, B. A.; Divan, Ralu; Roberts, John; Liang, Yanping

    2016-12-01

    Interdigitated array (IDA) electrodes have been applied to study the EC’ (electron transfer reaction followed by a catalytic reaction) reactions and a new method of quantitative analysis of IDA results was developed. In this new method, currents on IDA generator and collector electrodes for an EC’ mechanism are derived from the number of redox cycles and the contribution of non-catalytic current. And the fractions of bipotential recycling species and catalytic-active species are calculated, which helps understanding the catalytic reaction mechanism. The homogeneous hydrogen evolution reaction catalyzed by [Ni(PPh2NBn2)2]2+ (where PPh2NBn2 is 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) electrocatalyst was examined and analyzed with IDA electrodes. Besides, the existence of reaction intermediates in the catalytic cycle is inferred from the electrochemical behavior of a glassy carbon disk electrodes and carbon IDA electrodes. This quantitative analysis of IDA electrode cyclic voltammetry currents can be used as a simple and straightforward method for determining reaction mechanism in other catalytic systems as well.

  12. Quantitative Analysis of Homogeneous Electrocatalytic Reactions at IDA Electrodes: The Example of [Ni(PPh2NBn2)2]2+

    International Nuclear Information System (INIS)

    Liu, Fei; Parkinson, B.A.; Divan, Ralu; Roberts, John; Liang, Yanping

    2016-01-01

    Interdigitated array (IDA) electrodes have been applied to study the EC’ (electron transfer reaction followed by a catalytic reaction) reactions and a new method of quantitative analysis of IDA results was developed. In this new method, currents on IDA generator and collector electrodes for an EC’ mechanism are derived from the number of redox cycles and the contribution of non-catalytic current. And the fractions of bipotential recycling species and catalytic-active species are calculated, which helps understanding the catalytic reaction mechanism. The homogeneous hydrogen evolution reaction catalyzed by [Ni(P Ph 2 N Bn 2 ) 2 ] 2+ (where P Ph 2 N Bn 2 is 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) electrocatalyst was examined and analyzed with IDA electrodes. Besides, the existence of reaction intermediates in the catalytic cycle is inferred from the electrochemical behavior of a glassy carbon disk electrodes and carbon IDA electrodes. This quantitative analysis of IDA electrode cyclic voltammetry currents can be used as a simple and straightforward method for determining reaction mechanism in other catalytic systems as well.

  13. Measurement and analysis of reaction rate distributions of cores with spectrum shifter region

    International Nuclear Information System (INIS)

    Matsuura, Shigekazu; Shiroya, Seiji; Unesaki, Hironobu; Takeda, Toshikazu; Aizawa, Otohiko; Kanda, Keiji.

    1995-01-01

    A study for the neutronic characteristics of the spectrum-controlled neutron irradiation fields using various reflector materials was performed. Spectrum shifter regions were constructed in the upper reflector region of the solid moderated core (B-Core) of the Kyoto University Critical Assembly (KUCA). Beryllium, graphite and aluminum were selected as the loading materials for the spectrum shifter. Two tight-pitch lattice cores with different moderator-to-fuel volume ratio (V m /V f ) of 0.97 and 0.65 have been used. Axial reaction rate distributions of gold, nickel and indium wires were measured, and the spectrum index was defined as the Cd ratio of the gold wire and the ratio of gold reaction rate to nickel reaction rate. Using the conventional design calculation procedure, the experimental and calculated reaction rate and spectrum index show several disagreements. Detailed treatment of the neutron streaming effect, heterogeneous cell structure and depression factor are shown to be necessary for improving the agreement between experimental and calculated values. (author)

  14. Analysis of adverse reactions and complications of Graves' disease after thyroid arteries embolization

    International Nuclear Information System (INIS)

    Zhuang Wenquan; Chen Wei; Yang Jianyong; Xiao Haipeng; Huang Yonghui; Li Jiaping; Guo Wenbo

    2003-01-01

    Objective: To retrospectively analyse the adverse reactions and complications of Graves' disease after thyroid arteries embolization. Methods: 41 patients of Graves' disease underwent interventional embolization have been analysed with its adverse reactions and complications. Polyvinyl alcohol or bletilla microspheres and micro-coils were used in these patients. Results: Laryngopharyngeal and neck pain occurred in all patients. T 3 and T 4 increased in 3 days to one week after the procedure. Thirty of them showed fever. Dystopia embolism happened in two cases with one of transitory hypoparathyroidism. No hypothyroidism or hypoparathyroidism or hoarseness occur during long term follow up. Conclusions: The adverse reactions and complications of Graves disease after thyroid arteries embolization may occur. Some of them are preventable and curable

  15. Global Controllability of Chemical Reactions

    OpenAIRE

    Drexler, Dániel András; Tóth, János

    2015-01-01

    Controllability of chemical reactions is an important problem in chemical engineering science. In control theory, analysis of the controllability of linear systems is well-founded, however the dynamics of chemical reactions is usually nonlinear. Global controllability properties of chemical reactions are analyzed here based on the Lie-algebra of the vector fields associated to elementary reactions. A chemical reaction is controllable almost everywhere if all the reaction rate coefficients can...

  16. Stability Analysis of a Reaction-Diffusion System Modeling Atherogenesis

    KAUST Repository

    Ibragimov, Akif

    2010-01-01

    This paper presents a linear, asymptotic stability analysis for a reaction-diffusionconvection system modeling atherogenesis, the initiation of atherosclerosis, as an inflammatory instability. Motivated by the disease paradigm articulated by Ross, atherogenesis is viewed as an inflammatory spiral with a positive feedback loop involving key cellular and chemical species interacting and reacting within the intimal layer of muscular arteries. The inflammatory spiral is initiated as an instability from a healthy state which is defined to be an equilibrium state devoid of certain key inflammatory markers. Disease initiation is studied through a linear, asymptotic stability analysis of a healthy equilibrium state. Various theorems are proved, giving conditions on system parameters guaranteeing stability of the health state, and a general framework is developed for constructing perturbations from a healthy state that exhibit blow-up, which are interpreted as corresponding to disease initiation. The analysis reveals key features that arterial geometry, antioxidant levels, and the source of inflammatory components (through coupled third-kind boundary conditions or through body sources) play in disease initiation. © 2010 Society for Industrial and Applied Mathematics.

  17. Simplified method of ''push-pull'' test data analysis for determining in situ reaction rate coefficients

    International Nuclear Information System (INIS)

    Haggerty, R.; Schroth, M.H.; Istok, J.D.

    1998-01-01

    The single-well, ''''push-pull'''' test method is useful for obtaining information on a wide variety of aquifer physical, chemical, and microbiological characteristics. A push-pull test consists of the pulse-type injection of a prepared test solution into a single monitoring well followed by the extraction of the test solution/ground water mixture from the same well. The test solution contains a conservative tracer and one or more reactants selected to investigate a particular process. During the extraction phase, the concentrations of tracer, reactants, and possible reaction products are measured to obtain breakthrough curves for all solutes. This paper presents a simplified method of data analysis that can be used to estimate a first-order reaction rate coefficient from these breakthrough curves. Rate coefficients are obtained by fitting a regression line to a plot of normalized concentrations versus elapsed time, requiring no knowledge of aquifer porosity, dispersivity, or hydraulic conductivity. A semi-analytical solution to the advective-dispersion equation is derived and used in a sensitivity analysis to evaluate the ability of the simplified method to estimate reaction rate coefficients in simulated push-pull tests in a homogeneous, confined aquifer with a fully-penetrating injection/extraction well and varying porosity, dispersivity, test duration, and reaction rate. A numerical flow and transport code (SUTRA) is used to evaluate the ability of the simplified method to estimate reaction rate coefficients in simulated push-pull tests in a heterogeneous, unconfined aquifer with a partially penetrating well. In all cases the simplified method provides accurate estimates of reaction rate coefficients; estimation errors ranged from 0.1 to 8.9% with most errors less than 5%

  18. Thermogravimetric analysis and kinetic study of bamboo waste treated by Echinodontium taxodii using a modified three-parallel-reactions model.

    Science.gov (United States)

    Yu, Hongbo; Liu, Fang; Ke, Ming; Zhang, Xiaoyu

    2015-06-01

    In this study, the effect of pretreatment with Echinodontium taxodii on thermal decomposition characteristics and kinetics of bamboo wastes was investigated by thermogravimetric analysis. The results showed fungal pretreatment can enhance the thermal degradation of bamboo. The negative effect of extractives in bamboo on the thermal decomposition can be decreased by the pretreatment. A modified three-parallel-reactions model based on isolated lignin was firstly proposed to study pyrolysis kinetics of bamboo lignocellulose. Kinetic analysis showed that with increasing pretreatment time fungal delignification was enhanced to transform the lignin component with high activation energy into that with low activation energy and raise the cellulose content in bamboo, making the thermal decomposition easier. These results demonstrated fungal pretreatment provided a potential way to improve thermal conversion efficiency of bamboo. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. Analysis of the fuel influence in obtaining HAp by combustion reaction

    International Nuclear Information System (INIS)

    Santos, T.L.; Leite, A.M.D.; Viana, K.M.S.

    2016-01-01

    The search for new materials for biomedical applications has led to investigation of the calcium phosphate bioceramics, and in particular hydroxyapatite (HAp), being a material similar to bone tissue, with excellent biocompatibility and high osteoconduction, enabling bone regeneration which allows the use at implants and prostheses. The synthesis of the nanometric HAp by combustion reaction enables obtaining the nanometric HAp with a more similar structure biological apatite as possible. This work aims to synthesize HAp by combustion reaction using two different routes of synthesis, first, using urea as fuel and the second using glycine, after this, evaluate the influence of fuels used in the microstructure of the hydroxyapatite obtained. The HAp obtained was characterized by: XRD, FTIR and SEM. Through analysis of the results, there is the synthesis conditions used that glycine has performed more favorable to obtaining HAp. (author)

  20. A sensitivity analysis method for the body segment inertial parameters based on ground reaction and joint moment regressor matrices.

    Science.gov (United States)

    Futamure, Sumire; Bonnet, Vincent; Dumas, Raphael; Venture, Gentiane

    2017-11-07

    This paper presents a method allowing a simple and efficient sensitivity analysis of dynamics parameters of complex whole-body human model. The proposed method is based on the ground reaction and joint moment regressor matrices, developed initially in robotics system identification theory, and involved in the equations of motion of the human body. The regressor matrices are linear relatively to the segment inertial parameters allowing us to use simple sensitivity analysis methods. The sensitivity analysis method was applied over gait dynamics and kinematics data of nine subjects and with a 15 segments 3D model of the locomotor apparatus. According to the proposed sensitivity indices, 76 segments inertial parameters out the 150 of the mechanical model were considered as not influent for gait. The main findings were that the segment masses were influent and that, at the exception of the trunk, moment of inertia were not influent for the computation of the ground reaction forces and moments and the joint moments. The same method also shows numerically that at least 90% of the lower-limb joint moments during the stance phase can be estimated only from a force-plate and kinematics data without knowing any of the segment inertial parameters. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Angular and velocity analysis of the three-fold events in the Xe+Cu reaction at 45 MeV/u

    International Nuclear Information System (INIS)

    Bruno, M.; D'Agostino, M.; Fiandri, M.L.; Fuschini, E.; Manduci, L.; Mastinu, P.F.; Milazzo, P.M.; Gramegna, F.; Ferrero, A.M.J.; Gulminelli, F.; Iori, I.; Moroni, A.; Scardaoni, R.; Buttazzo, P.; Margagliotti, G.V.; Vannini, G.; Auger, G.; Plagnol, E.

    1994-01-01

    An analysis of the angular and velocity distributions of the intermediate mass fragments produced in the reaction Xe+Cu at 45 MeV/u is presented. Events coming from central collisions are selected and compared with predictions of different models based on a statistical deexcitation of an equilibrated source. The angular and velocity correlations show that the experimental production of three nearly-equal mass fragments cannot be explained by a sequential binary decay and is compatible with a multifragmentation mechanism. ((orig.))

  2. Modelling and simulation of a transketolase mediated reaction: Sensitivity analysis of kinetic parameters

    DEFF Research Database (Denmark)

    Sayar, N.A.; Chen, B.H.; Lye, G.J.

    2009-01-01

    In this paper we have used a proposed mathematical model, describing the carbon-carbon bond format ion reaction between beta-hydroxypyruvate and glycolaldehyde to synthesise L-erythrulose, catalysed by the enzyme transketolase, for the analysis of the sensitivity of the process to its kinetic...

  3. Self-propagating exothermic reaction analysis in Ti/Al reactive films using experiments and computational fluid dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Sen, Seema, E-mail: seema.sen@tu-ilmenau.de [Technical University of Ilmenau, Department of Materials for Electronics, Gustav-Kirchhoff-Str. 5, 98693 Ilmenau (Germany); Niederrhein University of Applied Science, Department of Mechanical and Process Engineering, Reinarzstraße 49, 47805 Krefeld (Germany); Lake, Markus; Kroppen, Norman; Farber, Peter; Wilden, Johannes [Niederrhein University of Applied Science, Department of Mechanical and Process Engineering, Reinarzstraße 49, 47805 Krefeld (Germany); Schaaf, Peter [Technical University of Ilmenau, Department of Materials for Electronics, Gustav-Kirchhoff-Str. 5, 98693 Ilmenau (Germany)

    2017-02-28

    Highlights: • Development of nanoscale Ti/Al multilayer films with 1:1, 1:2 and 1:3 molar ratios. • Characterization of exothermic reaction propagation by experiments and simulation. • The reaction velocity depends on the ignition potentials and molar ratios of the films. • Only 1Ti/3Al films exhibit the unsteady reaction propagation with ripple formation. • CFD simulation shows the time dependent atom mixing and temperature flow during exothermic reaction. - Abstract: This study describes the self-propagating exothermic reaction in Ti/Al reactive multilayer foils by using experiments and computational fluid dynamics simulation. The Ti/Al foils with different molar ratios of 1Ti/1Al, 1Ti/2Al and 1Ti/3Al were fabricated by magnetron sputtering method. Microstructural characteristics of the unreacted and reacted foils were analyzed by using electronic and atomic force microscopes. After an electrical ignition, the influence of ignition potentials on reaction propagation has been experimentally investigated. The reaction front propagates with a velocity of minimum 0.68 ± 0.4 m/s and maximum 2.57 ± 0.6 m/s depending on the input ignition potentials and the chemical compositions. Here, the 1Ti/3Al reactive foil exhibits both steady state and unsteady wavelike reaction propagation. Moreover, the numerical computational fluid dynamics (CFD) simulation shows the time dependent temperature flow and atomic mixing in a nanoscale reaction zone. The CFD simulation also indicates the potentiality for simulating exothermic reaction in the nanoscale Ti/Al foil.

  4. Modeling and analysis of liquid deuterium-water reactions

    International Nuclear Information System (INIS)

    Taleyarkhan, R.P.

    1995-01-01

    This Presentation highlights the following: Overview of LD 2 -water reactions their connections to research reactors with cold sources; some key features and ingredients of vapor explosions in general; Examination of results of 1970 experiment at Grenoble Nuclear Research Center; Thermodynamic evaluations of energetics of explosive LD 2 -D 2 O reactions. This presentation concentrates only on the technical aspects of LD 2 /LH 2 - water reactions; it is not intended to draw/imply safety-related conclusions for research reactors

  5. Development of analysis model for mid and long-term effects of sodium water reaction event in LMR

    International Nuclear Information System (INIS)

    Eoh, Jae Hyuk; Sim, Yoon Sub; Kim, Seong O; Kim, Yeon Sik; Kim, Eui Kwang; Wi, Myung Hwan

    2002-04-01

    The Sodium-Water Reaction(SWR) is important in the design consideration of a LMR steam generator. To develop the analysis code for long-term effects of SWR, investigation on the characteristics of various SWR analysis code and the assessment of an analysis model for long term effects were performed. In an event of SWR, pressure spikes of wave propagation occur at its initial stage and last for a very short time, and then bulk motion of fluid and reaction products is progressed and lasts for a long time. In a case SWR occurs, a number of hydrogen bubbles produced and sodium is entrained into the bubbles through the gas-liquid bubble interfaces by evaporation or diffusion. The partial pressure of the sodium in a hydrogen bubble is determined as a function of the bubble size, temperature, and pressure, and is rapidly decreased as its size increased. From this, it can be considered that the bulk motion in the later phase of SWR is an axial motion caused by expansion of a single-phase hydrogen gas bubble produced by a reaction in the vicinity of the leak site. Through this investigation, a preliminary simple analysis model for long-term effects of SWR was set up and sensitivity study using the system design parameters such as pressure and temperature of IHTS for KALIMER was performed. Also, a simpler analysis model using the cover gas pressure change related to the production of a hydrogen bubble in a steam generator was developed from the analyses results. These simple analysis models of the reaction site and the pressure behavior with hydrogen production can be used to develop the mid and long-term analysis code for SWR in the KALIMER steam generator design

  6. Evaluation of reactor induced (n,p) reactions for activation analysis of titanium in geological materials

    Energy Technology Data Exchange (ETDEWEB)

    Espinosa Garcia, R; Cohen, I M [Comision Nacional de Energia Atomica, Buenos Aires (Argentina)

    1984-05-01

    The possibilities of reactor induced (n,p) reactions as a tool for neutron activation analysis of titanium in geological samples are discussed. The interference of calcium and scandium is experimentally evaluated. Results for Ti, Ca and Sc in GSP-1 and PCC-1 standard rocks are presented. Based on the experimental values, it is concluded that the /sup 47/Ti(n,p)/sup 47/Sc reaction is the most favourable for titanium determination. 11 refs.

  7. Applications of nuclear reaction analysis for determining hydrogen and deuterium distribution in metals

    International Nuclear Information System (INIS)

    Altstetter, C.J.

    1981-01-01

    The use of ion beams for materials analysis has made a successful transition from the domain of the particle physicist to that of the materials scientist. The subcategory of this field, nuclear reaction analysis, is just now undergoing the transition, particularly in applications to hydrogen in materials. The materials scientist must locate the nearest accelerator, because now he will find that using it can solve mysteries that do not yield to other techniques. 9 figures

  8. Gas-Phase Reactions of Dimethyl Disulfide with Aliphatic Carbanions - A Mass Spectrometry and Computational Study

    Science.gov (United States)

    Franczuk, Barbara; Danikiewicz, Witold

    2018-03-01

    Ion-molecule reactions of Me2S2 with a wide range of aliphatic carbanions differing by structure and proton affinity values have been studied in the gas phase using mass spectrometry techniques and DFT calculations. The analysis of the spectra shows a variety of product ions formed via different reaction mechanisms, depending on the structure and proton affinity of the carbanion. Product ions of thiophilic reaction ( m/z 47), SN2 ( m/z 79), and E2 elimination - addition sequence of reactions ( m/z 93) can be observed. Primary products of thiophilic reaction can undergo subsequent SN2 and proton transfer reactions. Gibbs free energy profiles calculated for experimentally observed reactions using PBE0/6-311+G(2d,p) method show good agreement with experimental results. [Figure not available: see fulltext.

  9. Parametric spatiotemporal oscillation in reaction-diffusion systems.

    Science.gov (United States)

    Ghosh, Shyamolina; Ray, Deb Shankar

    2016-03-01

    We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

  10. Gender Differences in Affective Reactions to First Coitus.

    Science.gov (United States)

    Guggino, Julie M.; Ponzetti, James J., Jr.

    1997-01-01

    Examined 87 college men's and 122 college women's affective reactions to first sexual intercourse. Results show that women were significantly more likely to report less pleasure, satisfaction, and excitement than men, and more sadness, guilt, nervousness, tension, embarrassment, and fear. Used factor analysis to group emotions into coherent…

  11. Analysis of Brownian Dynamics Simulations of Reversible Bimolecular Reactions

    KAUST Repository

    Lipková, Jana

    2011-01-01

    A class of Brownian dynamics algorithms for stochastic reaction-diffusion models which include reversible bimolecular reactions is presented and analyzed. The method is a generalization of the λ-bcȳ model for irreversible bimolecular reactions which was introduced in [R. Erban and S. J. Chapman, Phys. Biol., 6(2009), 046001]. The formulae relating the experimentally measurable quantities (reaction rate constants and diffusion constants) with the algorithm parameters are derived. The probability of geminate recombination is also investigated. © 2011 Society for Industrial and Applied Mathematics.

  12. Positron annihilation investigation and nuclear reaction analysis of helium and oxygen-implanted zirconia

    International Nuclear Information System (INIS)

    Grynszpan, R.I.; Saude, S.; Anwand, W.; Brauer, G.

    2005-01-01

    Since irradiation affects in-service properties of zirconia, we investigated the fluence dependence on production and thermal stability of defects induced by helium and oxygen-ion implantation in single crystals of yttria-fully-stabilized zirconia. In either case, depth profiling by slow positron implantation spectroscopy (SPIS) detects a distribution of vacancy-type defects peaking at 60% of the projected ion range R p . Owing to the saturation of positron-trapping occurring for low fluences, which depends on the ion mass, we could estimate a critical size of clusters ranging from 0.4 to 1.6 nm. The lack of SPIS-evidence of an open-volume excess at R p is explained by the presence of over-pressurized gas bubbles. This assumption is confirmed by Nuclear Reaction Analysis of 3 He concentration profiles, which shows that helium remains partly trapped at R p , even after annealing above 400 o C

  13. Measurement of hydrogen in BCN films by nuclear reaction analysis

    Energy Technology Data Exchange (ETDEWEB)

    Yasui, Haruyuki; Hirose, Yukio; Sasaki, Toshihiko [Kanazawa Univ. (Japan); Awazu, Kaoru [Industrial Research Inst., of Ishikawa, Kanazawa (Japan); Naramoto, Hiroshi [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment

    2001-07-01

    Hydrogen is a very common contaminant in carbon films. It can strongly influence on mechanical, physical and chemical properties of the films. The analysis of hydrogen is therefore a crucial problem produce the films with the properties required. Ion beam techniques using nuclear reactions are effective for the quantitative determination of hydrogen concentration. A specially designed spectrometer is employed for the detailed determination of hydrogen concentrations by detecting 4.43MeV {gamma}-rays from the resonant nuclear reactions {sup 1}H({sup 15}N, {alpha}{gamma}){sup 12}C at the 6.385MeV. In this study, the BCN films were formed on silicon substrate by ion beam assisted deposition (IBAD), in which boron and carbon were deposited by electron beam heating of B{sub 4}C solid and nitrogen was supplied by ion implantation simultaneously. The concentrations of hydrogen in BCN films were measured using RNRA. The mechanical properties of BCN films were evaluated using an ultra-micro-hardness tester. It was confirmed that the hardness of BCN films increased with increasing the concentration of hydrogen. (author)

  14. Reaction theories for N* excitations in πN and γN reactions

    International Nuclear Information System (INIS)

    Lee, T.S.H.

    1996-01-01

    The importance of developing reaction theories for investigating N* physics is illustrated in an analysis of pion photoproduction on the nucleon. It is shown that the γN ↔ Δ transition amplitudes predicted by the constituent quark model are in agreement with the values extracted from the γN → πN data only when the contributions from the reaction mechanisms calculated using a dynamical approach are taken into account in the analysis

  15. Characterising Complex Enzyme Reaction Data.

    Directory of Open Access Journals (Sweden)

    Handan Melike Dönertaş

    Full Text Available The relationship between enzyme-catalysed reactions and the Enzyme Commission (EC number, the widely accepted classification scheme used to characterise enzyme activity, is complex and with the rapid increase in our knowledge of the reactions catalysed by enzymes needs revisiting. We present a manual and computational analysis to investigate this complexity and found that almost one-third of all known EC numbers are linked to more than one reaction in the secondary reaction databases (e.g., KEGG. Although this complexity is often resolved by defining generic, alternative and partial reactions, we have also found individual EC numbers with more than one reaction catalysing different types of bond changes. This analysis adds a new dimension to our understanding of enzyme function and might be useful for the accurate annotation of the function of enzymes and to study the changes in enzyme function during evolution.

  16. Effect of compound nuclear reaction mechanism in 12C(6Li,d) reaction at sub-Coulomb energy

    Science.gov (United States)

    Mondal, Ashok; Adhikari, S.; Basu, C.

    2017-09-01

    The angular distribution of the 12C(6Li,d) reaction populating the 6.92 and 7.12 MeV states of 16O at sub-Coulomb energy (Ecm=3 MeV) are analysed in the framework of the Distorted Wave Born Approximation (DWBA). Recent results on excitation function measurements and backward angle angular distributions derive ANC for both the states on the basis of an alpha transfer mechanism. In the present work, we show that considering both forward and backward angle data in the analysis, the 7.12 MeV state at sub-Coulomb energy is populated from Compound nuclear process rather than transfer process. The 6.92 MeV state is however produced from direct reaction mechanism.

  17. 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

  18. Stoichiometric network analysis and associated dimensionless kinetic equations. Application to a model of the Bray-Liebhafsky reaction.

    Science.gov (United States)

    Schmitz, Guy; Kolar-Anić, Ljiljana Z; Anić, Slobodan R; Cupić, Zeljko D

    2008-12-25

    The stoichiometric network analysis (SNA) introduced by B. L. Clarke is applied to a simplified model of the complex oscillating Bray-Liebhafsky reaction under batch conditions, which was not examined by this method earlier. This powerful method for the analysis of steady-states stability is also used to transform the classical differential equations into dimensionless equations. This transformation is easy and leads to a form of the equations combining the advantages of classical dimensionless equations with the advantages of the SNA. The used dimensionless parameters have orders of magnitude given by the experimental information about concentrations and currents. This simplifies greatly the study of the slow manifold and shows which parameters are essential for controlling its shape and consequently have an important influence on the trajectories. The effectiveness of these equations is illustrated on two examples: the study of the bifurcations points and a simple sensitivity analysis, different from the classical one, more based on the chemistry of the studied system.

  19. Comparing transfusion reaction rates for various plasma types: a systematic review and meta-analysis/regression.

    Science.gov (United States)

    Saadah, Nicholas H; van Hout, Fabienne M A; Schipperus, Martin R; le Cessie, Saskia; Middelburg, Rutger A; Wiersum-Osselton, Johanna C; van der Bom, Johanna G

    2017-09-01

    We estimated rates for common plasma-associated transfusion reactions and compared reported rates for various plasma types. We performed a systematic review and meta-analysis of peer-reviewed articles that reported plasma transfusion reaction rates. Random-effects pooled rates were calculated and compared between plasma types. Meta-regression was used to compare various plasma types with regard to their reported plasma transfusion reaction rates. Forty-eight studies reported transfusion reaction rates for fresh-frozen plasma (FFP; mixed-sex and male-only), amotosalen INTERCEPT FFP, methylene blue-treated FFP, and solvent/detergent-treated pooled plasma. Random-effects pooled average rates for FFP were: allergic reactions, 92/10 5 units transfused (95% confidence interval [CI], 46-184/10 5 units transfused); febrile nonhemolytic transfusion reactions (FNHTRs), 12/10 5 units transfused (95% CI, 7-22/10 5 units transfused); transfusion-associated circulatory overload (TACO), 6/10 5 units transfused (95% CI, 1-30/10 5 units transfused); transfusion-related acute lung injury (TRALI), 1.8/10 5 units transfused (95% CI, 1.2-2.7/10 5 units transfused); and anaphylactic reactions, 0.8/10 5 units transfused (95% CI, 0-45.7/10 5 units transfused). Risk differences between plasma types were not significant for allergic reactions, TACO, or anaphylactic reactions. Methylene blue-treated FFP led to fewer FNHTRs than FFP (risk difference = -15.3 FNHTRs/10 5 units transfused; 95% CI, -24.7 to -7.1 reactions/10 5 units transfused); and male-only FFP led to fewer cases of TRALI than mixed-sex FFP (risk difference = -0.74 TRALI/10 5 units transfused; 95% CI, -2.42 to -0.42 injuries/10 5 units transfused). Meta-regression demonstrates that the rate of FNHTRs is lower for methylene blue-treated compared with FFP, and the rate of TRALI is lower for male-only than for mixed-sex FFP; whereas no significant differences are observed between plasma types for allergic reactions, TACO

  20. Reaction kinetics of polybutylene terephthalate polycondensation reaction

    NARCIS (Netherlands)

    Darda, P. J.; Hogendoorn, J. A.; Versteeg, G. F.; Souren, F.

    2005-01-01

    The kinetics of the forward polycondensation reaction of polybutylene terephthalate (PBT) has been investigated using thermogravimetric analysis (TGA). PBT - prepolymer with an initial degree of polymerization of 5.5 was used as starting material. The PBT prepolymer was prepared from dimethyl

  1. DFT analysis of the reaction paths of formaldehyde decomposition on silver.

    Science.gov (United States)

    Montoya, Alejandro; Haynes, Brian S

    2009-07-16

    Periodic density functional theory is used to study the dehydrogenation of formaldehyde (CH(2)O) on the Ag(111) surface and in the presence of adsorbed oxygen or hydroxyl species. Thermodynamic and kinetic parameters of elementary surface reactions have been determined. The dehydrogenation of CH(2)O on clean Ag(111) is thermodynamically and kinetically unfavorable. In particular, the activation energy for the first C-H bond scission of adsorbed CH(2)O (25.8 kcal mol(-1)) greatly exceeds the desorption energy for molecular CH(2)O (2.5 kcal mol(-1)). Surface oxygen promotes the destruction of CH(2)O through the formation of CH(2)O(2), which readily decomposes to CHO(2) and then in turn to CO(2) and adsorbed hydrogen. Analysis of site selectivity shows that CH(2)O(2), CHO(2), and CHO are strongly bound to the surface through the bridge sites, whereas CO and CO(2) are weakly adsorbed with no strong preference for a particular surface site. Dissociation of CO and CO(2) on the Ag(111) surface is highly activated and therefore unfavorable with respect to their molecular desorption.

  2. Reaction products of densified silica fume agglomerates in concrete

    International Nuclear Information System (INIS)

    Diamond, Sidney; Sahu, Sadananda; Thaulow, Niels

    2004-01-01

    Most silica fume currently used in concrete is in the dry densified form and consists of agglomerates of sizes between 10 μm and several millimeters. Many of these agglomerates may break down only partially in normal concrete mixing. Examination of various mature silica-fume-bearing concretes using backscatter mode scanning electron microscopy (SEM) and energy-dispersive X-ray (EDX) analysis shows that such agglomerates have reacted in situ and given rise to recognizable types of reaction products filling the space within the original outline of the agglomerate. One type is 'quiescent', and usually shows no evidence of volume instability. EDX spectra indicate that the product formed within such grains is C-S-H of very low Ca/Si ratio, with modest alkali contents. Other silica fume agglomerates may undergo a distinct alkali-silica-type reaction (ASR), with the reaction product found within the original outline of the agglomerate having significantly less calcium and usually much higher alkali contents than the quiescent type. Such reacted agglomerates show evidence of local expansion, shrinkage cracking (on drying), and other features common to ASR. Both types may be found within the same concrete, sometimes in close proximity. It further appears that exposure to seawater may convert previously formed reaction products of silica fume agglomerates to magnesium silicate hydrates

  3. Dynamic screening in solar and stellar nuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Daeppen, W. [Department of Physics and Astronomy, University of Southern California, Los Angeles, CA (United States); Mussack, K. [Los Alamos National Laboratory, XTD-2, Los Alamos, NM (United States)

    2012-02-15

    In the hot, dense plasma of solar and stellar interiors, Coulomb potentials are screened, resulting in increased nuclear reaction rates. Although Salpeter's approximation for static screening is widely accepted and used in stellar modeling, the question of screening in nuclear reactions was revisited in the 1990s. In particular the issue of dynamic effects was raised by Shaviv and Shaviv, who applied the techniques of molecular dynamics to the conditions in the Sun's core in order to numerically determine the effect of screening. By directly calculating the motion of ions and electrons due to Coulomb interactions, the simulations are used to compute the effect of screening without the mean-field assumption inherent in Salpeter's approximation. In the last few years, the USC group has first reproduced Shaviv and Shaviv's numerical analysis of the screening energy, showing an effect of dynamic screening. When the consequence for the reaction-rate was computed, a rather surprising resulted, which is contrary to that from static screening theory. Our calculations showed that dynamic screening does not significantly change the reaction rate from that of the bare Coulomb potential. If this can be independently confirmed, then the effects of dynamic screening are highly relevant and should be included in stellar nuclear reaction rates (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. Analysis of the width correlation in 54Fe(nγ)55Fe reaction

    International Nuclear Information System (INIS)

    Knat'ko, V.A.; Shimanovich, E.A.

    1982-01-01

    To find out structural effects manifesting themselves in the form of correlation between widths of different channels of γ decay of levels and violation of Porter-Thomas distribution, calculated are partial widths of levels for 20 high-energy γ transitions in the 54 Fe(nγ) 55 Fe reaction. Calculations are carried out for widths in relation to γ transitions on 8 low p levels of 55 Fe, for 100 sets of partial γ widths (20 widths in a set). Results of analysis of theoretical values of partial γ widths of s resonances are presented in the form of the table. Results, obtained, show that consideration of contributions into γ decay of one-particle-vibrational configurations improve the accordance with experimental data, in comparison with calculations according to the model of valent capture. It is concluded that properties of γ widths of 55 Fe resonances, calculated in studied model, agree satisfactorily with properties of experimental γ widths [ru

  5. Two reactions method for accurate analysis by irradiation with charged particles

    International Nuclear Information System (INIS)

    Ishii, K.; Sastri, C.S.; Valladon, M.; Borderie, B.; Debrun, J.L.

    1978-01-01

    In the average stopping power method the formula error itself was negligible but systematic errors could be introduced by the stopping power data used in this formula. A method directly derived from the average stopping power method, but based on the use of two nuclear reactions, is described here. This method has a negligible formula error and does not require the use of any stopping power or range data: accurate and 'self-consistent' analysis by irradiation with charged particles is then possible. (Auth.)

  6. Global sensitivity analysis in stochastic simulators of uncertain reaction networks.

    Science.gov (United States)

    Navarro Jimenez, M; Le Maître, O P; Knio, O M

    2016-12-28

    Stochastic models of chemical systems are often subjected to uncertainties in kinetic parameters in addition to the inherent random nature of their dynamics. Uncertainty quantification in such systems is generally achieved by means of sensitivity analyses in which one characterizes the variability with the uncertain kinetic parameters of the first statistical moments of model predictions. In this work, we propose an original global sensitivity analysis method where the parametric and inherent variability sources are both treated through Sobol's decomposition of the variance into contributions from arbitrary subset of uncertain parameters and stochastic reaction channels. The conceptual development only assumes that the inherent and parametric sources are independent, and considers the Poisson processes in the random-time-change representation of the state dynamics as the fundamental objects governing the inherent stochasticity. A sampling algorithm is proposed to perform the global sensitivity analysis, and to estimate the partial variances and sensitivity indices characterizing the importance of the various sources of variability and their interactions. The birth-death and Schlögl models are used to illustrate both the implementation of the algorithm and the richness of the proposed analysis method. The output of the proposed sensitivity analysis is also contrasted with a local derivative-based sensitivity analysis method classically used for this type of systems.

  7. Global sensitivity analysis in stochastic simulators of uncertain reaction networks

    KAUST Repository

    Navarro, María

    2016-12-26

    Stochastic models of chemical systems are often subjected to uncertainties in kinetic parameters in addition to the inherent random nature of their dynamics. Uncertainty quantification in such systems is generally achieved by means of sensitivity analyses in which one characterizes the variability with the uncertain kinetic parameters of the first statistical moments of model predictions. In this work, we propose an original global sensitivity analysis method where the parametric and inherent variability sources are both treated through Sobol’s decomposition of the variance into contributions from arbitrary subset of uncertain parameters and stochastic reaction channels. The conceptual development only assumes that the inherent and parametric sources are independent, and considers the Poisson processes in the random-time-change representation of the state dynamics as the fundamental objects governing the inherent stochasticity. A sampling algorithm is proposed to perform the global sensitivity analysis, and to estimate the partial variances and sensitivity indices characterizing the importance of the various sources of variability and their interactions. The birth-death and Schlögl models are used to illustrate both the implementation of the algorithm and the richness of the proposed analysis method. The output of the proposed sensitivity analysis is also contrasted with a local derivative-based sensitivity analysis method classically used for this type of systems.

  8. Fusion chain reaction - a chain reaction with charged particles

    International Nuclear Information System (INIS)

    Peres, A.; Shvarts, D.

    1975-01-01

    When a DT-plasma is compressed to very high density, the particles resulting from nuclear reactions give their energy mostly to D and T ions, by nuclear collisions, rather than to electrons as usual. Fusion can thus proceed as a chain reaction, without the need of thermonuclear temperatures. In this paper, we derive relations for the suprathermal ion population created by a fusion reaction. Numerical integration of these equations shows that a chain reaction can proceed in a cold infinite DT-plasma at densities above 8.4x10 27 ions.cm -3 . Seeding the plasma with a small amount of 6 Li reduces the critical density to 7.2x10 27 ions.cm -3 (140000times the normal solid density). (author)

  9. Analysis for mass distribution of proton-induced reactions in intermediate energy range

    CERN Document Server

    Xiao Yu Heng

    2002-01-01

    The mass and charge distribution of residual products produced in the spallation reactions needs to be studied, because it can provide useful information for the disposal of nuclear waste and residual radioactivity generated by the spallation neutron target system. In present work, the Many State Dynamical Model (MSDM) is based on the Cascade-Exciton Model (CEM). The authors use it to investigate the mass distribution of Nb, Au and Pb proton-induced reactions in energy range from 100 MeV to 3 GeV. The agreement between the MSDM simulations and the measured data is good in this energy range, and deviations mainly show up in the mass range of 90 - 150 for the high energy proton incident upon Au and Pb

  10. Reaction of Hydrazine Hydrate with Oxalic Acid: Synthesis and ...

    African Journals Online (AJOL)

    NICO

    2013-11-28

    Nov 28, 2013 ... The title compound is a molecular salt containing two discrete hydrazinium cations and an oxalate anion. The oxalate ... RESEARCH ARTICLE ... Scheme and reaction showing the simple experimental procedure for the preparation of .... 7 A.I. Vogel, A Text Book of Quantitative Inorganic Analysis, 4th edn.,.

  11. A study on the grafting reaction of isocyanates with hydroxyapatite particles

    NARCIS (Netherlands)

    Liu, Q.; de Wijn, J.R.; van Blitterswijk, Clemens

    1998-01-01

    The surface grafting reactions of a series of isocyanates with hydroxyapatite particles at different temperatures were studied by Infrared spectrophotometry (IR) and thermal gravimetric analysis (TGA). The study results show that both hexamethylene diisocyanate (HMDI) and isocyanatoethyl

  12. Theoretical analysis of consecutive reactions in adiabatic stirred tank reactors

    International Nuclear Information System (INIS)

    Jo, Byung Wook; Kim, Sun Il; Hong, Won Hae; Cha, Wol Suk; Kim, Soong Pyung; Kim, Jung Gyu

    1990-01-01

    By mathematical model for the case of the consecutive first-order exothermic reaction in an adiabatic CSTR, the effects of the system parameter i. e. relative residence time, heat of reaction and thermal sensitivity of reaction rate constant, on the concentration profile of the intermediate product of a consecutive reaction were obtained as follows. For fixed values of the ratio of the reaction rate constants t 1 / t 2 , the ratio of the correponding system parameter α where α>1 and the sensitivities of the reaction rate constants S1 and S2, the maximum value of the intermediate production dimensionless concentration increases with increase in the values of the relative energy parameter E1 and E2 and it decreases with a decrease in E1 and E2. For fixed values of the ratio of the reaction rate constants t 1 / t 2 , the ratio of the corresponding system parameter α where α 1 and t 2 and it increases with a decrease in S1 and S2. For fixed values of the ratio of the reaction rate constants t 1 / t 2 , the ratio of the corresponding system parameters α where α=1 and the relative energy parameters E1 and E2, the maximum value of the intermediate product dimensionless is constant with either increase or decrease in the sensitivities of the reaction rate constants S1 and S2. (Author)

  13. Experimental and numerical analysis of the combustor for a cogeneration system based on the aluminum/water reaction

    International Nuclear Information System (INIS)

    Milani, Massimo; Montorsi, Luca; Paltrinieri, Fabrizio; Stefani, Matteo

    2014-01-01

    Highlights: • Aluminum reaction with water is studied as a technology for hydrogen production. • A test rig is developed for the analysis of aluminum/water reaction. • The system is the core component of a cogeneration plant for hydrogen/power production. • The interaction of liquid aluminum jet and water steam stream is investigated. • The main capabilities of the injection system are assessed. - Abstract: The paper focuses on the design of the experimental apparatus aimed at analyzing the performance of the combustion chamber of a cogeneration system based on the reaction of liquid aluminum and water steam. The cogeneration system exploits the heat released by the oxidation of aluminum with water for super-heating the vapor of a steam cycle and simultaneously producing hydrogen. The only by-product is alumina, which in a closed loop can be recycled back and transformed again into aluminum. Therefore, aluminum is used as an energy carrier to transport the energy from the alumina reduction plant to the location of the proposed system. The water is also used in a closed loop since the amount of water produced employing the hydrogen obtained by the proposed system corresponds to the oxidizing water for the Al/H 2 O reaction. This study investigates the combustor where the liquid aluminum–steam reaction takes place. In particular, the design of the combustion chamber and the interaction between the liquid aluminum jet and the water steam flow are evaluated using a numerical and an experimental approach. The test rig is specifically designed for the analysis of the liquid aluminum injection in a slightly super-heated steam stream. The first experiments are carried out to verify the correct behavior of the test rig. Thermography is employed to qualitatively assess the steam entrainment of the liquid aluminum jet. Finally, the experimental measurements are compared with the multi-dimension multi-phase flow simulations in order to estimate the influence of

  14. Computer simulation for sodium-concrete reactions

    International Nuclear Information System (INIS)

    Zhang Bin; Zhu Jizhou

    2006-01-01

    In the liquid metal cooled fast breeder reactors (LMFBRs), direct contacts between sodium and concrete is unavoidable. Due to sodium's high chemical reactivity, sodium would react with concrete violently. Lots of hydrogen gas and heat would be released then. This would harm the ignorantly of the containment. This paper developed a program to simualte sodium-conrete reactions across-the-board. It could give the reaction zone temperature, pool temperature, penetration depth, penetration rate, hydrogen flux and reaction heat and so on. Concrete was considered to be composed of silica and water only in this paper. The variable, the quitient of sodium hydroxide, was introduced in the continuity equation to simulate the chemical reactions more realistically. The product of the net gas flux and boundary depth was ably transformed to that of penetration rate and boundary depth. The complex chemical kinetics equations was simplified under some hypothesises. All the technique applied above simplified the computer simulation consumedly. In other words, they made the computer simulation feasible. Theoretics models that applied in the program and the calculation procedure were expatiated in detail. Good agreements of an overall transient behavior were obtained in the series of sodium-concrete reaction experiment analysis. The comparison between the analytical and experimental results showed the program presented in this paper was creditable and reasonable for simulating the sodium-concrete reactions. This program could be used for nuclear safety judgement. (authors)

  15. Humidity independent mass spectrometry for gas phase chemical analysis via ambient proton transfer reaction.

    Science.gov (United States)

    Zhu, Hongying; Huang, Guangming

    2015-03-31

    In this work, a humidity independent mass spectrometric method was developed for rapid analysis of gas phase chemicals. This method is based upon ambient proton transfer reaction between gas phase chemicals and charged water droplets, in a reaction chamber with nearly saturate humidity under atmospheric pressure. The humidity independent nature enables direct and rapid analysis of raw gas phase samples, avoiding time- and sample-consuming sample pretreatments in conventional mass spectrometry methods to control sample humidity. Acetone, benzene, toluene, ethylbenzene and meta-xylene were used to evaluate the analytical performance of present method. The limits of detection for benzene, toluene, ethylbenzene and meta-xylene are in the range of ∼0.1 to ∼0.3 ppbV; that of benzene is well below the present European Union permissible exposure limit for benzene vapor (5 μg m(-3), ∼1.44 ppbV), with linear ranges of approximately two orders of magnitude. The majority of the homemade device contains a stainless steel tube as reaction chamber and an ultrasonic humidifier as the source of charged water droplets, which makes this cheap device easy to assemble and facile to operate. In addition, potential application of this method was illustrated by the real time identification of raw gas phase chemicals released from plants at different physiological stages. Copyright © 2015 Elsevier B.V. All rights reserved.

  16. Coating of graphite flakes with MgO/carbon nanocomposite via gas state reaction

    International Nuclear Information System (INIS)

    Sharif, M.; Faghihi-Sani, M.A.; Golestani-Fard, F.; Saberi, A.; Soltani, Ali Khalife

    2010-01-01

    Coating of graphite flakes with MgO/carbon nanocomposite was carried out via gaseous state reaction between mixture of Mg metal, CO gas and graphite flakes at 1000 o C. XRD and FE-SEM analysis of coating showed that the coating was comprised of MgO nano particles and amorphous carbon distributed smoothly and covered the graphite surface evenly. Thermodynamic calculations were employed to predict the reaction sequences as well as phase stability. The effect of coating on water wettability and oxidation resistance of graphite was studied using contact angle measurement and TG analysis, respectively. It was demonstrated that the reaction between Mg and CO could result in MgO/C nanocomposite deposition. The coating improved water wettability of graphite and also enhanced the oxidation resistance of graphite flakes significantly. Also the graphite coating showed significant phenolic resin-wettabilty owing to high surface area of such hydrophilic nano composite coating. The importance of graphite coating is explained with emphasis on its potential application in graphite containing refractories.

  17. Step training improves reaction time, gait and balance and reduces falls in older people: a systematic review and meta-analysis.

    Science.gov (United States)

    Okubo, Yoshiro; Schoene, Daniel; Lord, Stephen R

    2017-04-01

    To examine the effects of stepping interventions on fall risk factors and fall incidence in older people. Electronic databases (PubMed, EMBASE, CINAHL, Cochrane, CENTRAL) and reference lists of included articles from inception to March 2015. Randomised (RCT) or clinical controlled trials (CCT) of volitional and reactive stepping interventions that included older (minimum age 60) people providing data on falls or fall risk factors. Meta-analyses of seven RCTs (n=660) showed that the stepping interventions significantly reduced the rate of falls (rate ratio=0.48, 95% CI 0.36 to 0.65, prisk ratio=0.51, 95% CI 0.38 to 0.68, pfalls and proportion of fallers. A meta-analysis of two RCTs (n=62) showed that stepping interventions significantly reduced laboratory-induced falls, and meta-analysis findings of up to five RCTs and CCTs (n=36-416) revealed that stepping interventions significantly improved simple and choice stepping reaction time, single leg stance, timed up and go performance (pfalls among older adults by approximately 50%. This clinically significant reduction may be due to improvements in reaction time, gait, balance and balance recovery but not in strength. Further high-quality studies aimed at maximising the effectiveness and feasibility of stepping interventions are required. CRD42015017357. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.

  18. Development of fast reactor containment safety analysis code, CONTAIN-LMR. (3) Improvement of sodium-concrete reaction model

    International Nuclear Information System (INIS)

    Kawaguchi, Munemichi; Doi, Daisuke; Seino, Hiroshi; Miyahara, Shinya

    2015-01-01

    A computer code, CONTAIN-LMR, is an integrated analysis tool to predict the consequence of severe accident in a liquid metal fast reactor. Because a sodium-concrete reaction behavior is one of the most important phenomena in the accident, a Sodium-Limestone Concrete Ablation Model (SLAM) has been developed and installed into the original CONTAIN code at Sandia National Laboratories (SNL) in the U.S. The SLAM treats chemical reaction kinetics between the sodium and the concrete compositions mechanistically using a three-region model, containing a pool (sodium and reaction debris) region, a dry (boundary layer (B/L) and dehydrated concrete) region, and a wet (hydrated concrete) region, the application is limited to the reaction between sodium and limestone concrete. In order to apply SLAM to the reaction between sodium and siliceous concrete which is an ordinary structural concrete in Japan, the chemical reaction kinetics model has been improved to consider the new chemical reactions between sodium and silicon dioxide. The improved model was validated to analyze a series of sodium-concrete experiments which were conducted in Japan Atomic Energy Agency (JAEA). It has been found that relatively good agreement between calculation and experimental results is obtained and the CONTAIN-LMR code has been validated with regard to the sodium-concrete reaction phenomena. (author)

  19. Calculation of multigroup reaction rates for the Ghana Research ...

    African Journals Online (AJOL)

    The discrete ordinate spatial model, which pro-vides solution to the differential form of the transport equation by the Carlson-SN (N=4) approach was adopted to solve the Ludwig-Boltzmann multigroup neutron transport equation for this analysis. The results show that for any fissile resonance absorber, the reaction rates ...

  20. Nonlinear electromechanical modelling and dynamical behavior analysis of a satellite reaction wheel

    Science.gov (United States)

    Aghalari, Alireza; Shahravi, Morteza

    2017-12-01

    The present research addresses the satellite reaction wheel (RW) nonlinear electromechanical coupling dynamics including dynamic eccentricity of brushless dc (BLDC) motor and gyroscopic effects, as well as dry friction of shaft-bearing joints (relative small slip) and bearing friction. In contrast to other studies, the rotational velocity of the flywheel is considered to be controllable, so it is possible to study the reaction wheel dynamical behavior in acceleration stages. The RW is modeled as a three-phases BLDC motor as well as flywheel with unbalances on a rigid shaft and flexible bearings. Improved Lagrangian dynamics for electromechanical systems is used to obtain the mathematical model of the system. The developed model can properly describe electromechanical nonlinear coupled dynamical behavior of the satellite RW. Numerical simulations show the effectiveness of the presented approach.

  1. Investigation of dehydration reaction of BaCl2.2H2O and SrCl2.6H2O by thermal analysis under pressure

    International Nuclear Information System (INIS)

    Homma, Tsuneyuki; Yamada, Tetsuo

    1978-01-01

    The dehydration reactions of BaCl 2 .2H 2 O and SrCl 2 .6H 2 O were investigated by the techniques of thermal analysis, i.e. thermogravimetry (TG and DTG) and differential thermal analysis (DTA) under pressures of 1, 4, 10 and 40 atm. For BaCl 2 .2H 2 O, the DTA curves showed two peaks at 1 atm and three or four peaks at pressures above 4 atm, and the TG curves showed two steps over the range of 1 -- 10 atm and 3 steps at 40 atm. For SrCl 2 .6H 2 O, the DTA curves showed five peaks at respective pressure, and the TG curves showed three steps at 1 atm and two steps at pressures above 4 atm. As a common effect of pressure to the dehydration of these two salts, DTG peaks and some of DTA peaks shifted to higher temperatures with a increase in pressure, but a few peaks remained unshifted on DTA curves in spite of increasing pressure. The peaks which corresponded to these unshifted peaks on DTA curves were not observed on DTG curves. The unshifted peaks on DTA curves were attributed to the endothermic reaction accompanied by the dissociation of coordination water. The DTA and TG curves suggested that both salts formed the intermediate state between anhydrous and monohydrate states. (auth.)

  2. Experimental Study on Impact-Induced Reaction Characteristics of PTFE/Ti Composites Enhanced by W Particles

    Directory of Open Access Journals (Sweden)

    Yan Li

    2017-02-01

    Full Text Available Metal/fluoropolymer composites are a category of energetic structural materials that release energy through exothermic chemical reactions initiated under highly dynamic loadings. In this paper, the chemical reaction mechanism of PTFE (polytetrafluoroethylene/Ti/W composites is investigated through thermal analysis and composition analysis. These composites undergo exothermic reactions at 510 °C to 600 °C, mainly producing TiFx. The tungsten significantly reduces the reaction heat due to its inertness. In addition, the dynamic compression properties and impact-induced reaction behaviors of PTFE/Ti/W composites with different W content prepared by pressing and sintering are studied using Split Hopkinson Pressure Bar and high speed photography. The results show that both the mechanical strength and the reaction degree are significantly improved with the increasing strain rate. Moreover, as W content increases, the mechanical strength is enhanced, but the elasticity/plasticity is decreased. The PTFE/Ti/W composites tend to become more inert with the increasing W content, which is reflected by the reduced reaction degree and the increased reaction threshold for the impact ignition.

  3. Feshbach-Kerman-Koonin analysis of 93Nb reactions: P→Q transitions and reduced importance of multistep compound emission

    International Nuclear Information System (INIS)

    Chadwick, M.B.; Young, P.G.

    1993-01-01

    We have implemented multistep compound (MSC) and multistep direct (MSD) preequilibrium theories of Feshbach, Kerman, and Koonin (FKK) for the calculation of nucleon-induced reactions. Unlike most previous analyses, which have concentrated on just one of these multistep mechanisms, we consider both mechanisms as well as subsequent Hauser-Feshbach equilibrium emission, and describe the complete nucleon emission spectra and angular distributions quantum mechanically. We compare theoretical calculations of (n,n') and (n,p) reactions on 93 Nb at energies of 14, 20, and 25.7 MeV with experimental data. Our analysis suggests that the FKK theory should be modified to allow transitions from the MSD to MSC preequilibrium chains, and shows MSC processes to be less important than previously thought. We find that the MSD mechanism dominates preequilibrium emission even for incident neutron energies as low as 14 MeV. A model to account for preequilibrium flux cascading from the MSD to MSC chain is presented, and we check its validity with a least-squares fit to data which establishes the experimentally observed partitioning between MSD and MSC

  4. Uranium analysis in urine by inductively coupled plasma dynamic reaction cell mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Ejnik, John W. [Northern Michigan University, Chemistry Department, Marquette, MI (United States); Todorov, Todor I.; Mullick, Florabel G.; Centeno, Jose A. [Armed Forces Institute of Pathology (AFIP), Division of Biophysical Toxicology, Washington, DC (United States); Squibb, Katherine; McDiarmid, Melissa A. [University of Maryland, School of Medicine, Baltimore, MD (United States)

    2005-05-01

    Urine uranium concentrations are the best biological indicator for identifying exposure to depleted uranium (DU). Internal exposure to DU causes an increased amount of urine uranium and a decreased ratio of {sup 235}U/{sup 238}U in urine samples, resulting in measurements that vary between 0.00725 and 0.002 (i.e., natural and depleted uranium's {sup 235}U/{sup 238}U ratios, respectively). A method based on inductively coupled plasma dynamic reaction cell mass spectrometry (ICP-DRC-MS) was utilized to identify DU in urine by measuring the quantity of total U and the {sup 235}U/{sup 238}U ratio. The quantitative analysis was achieved using {sup 233}U as an internal standard. The analysis was performed both with and without the reaction gas oxygen. The reaction gas converted ionized {sup 235}U{sup +} and {sup 238}U{sup +} into {sup 235}UO{sub 2}{sup +} (m/z=267) and {sup 238}UO{sub 2}{sup +} (m/z=270). This conversion was determined to be over 90% efficient. A polyatomic interference at m/z 234.8 was successfully removed from the {sup 235}U signal under either DRC operating conditions (with or without oxygen as a reaction gas). The method was validated with 15 urine samples of known uranium compositions. The method detection limit for quantification was determined to be 0.1 pg U mL{sup -1} urine and an average coefficient of variation (CV) of 1-2% within the sample measurements. The method detection limit for determining {sup 235}U/{sup 238}U ratio was 3.0 pg U mL{sup -1} urine. An additional 21 patient samples were analyzed with no information about medical history. The measured {sup 235}U/{sup 238}U ratio within the urine samples correctly identified the presence or absence of internal DU exposure in all 21 patients. (orig.)

  5. Scaling analysis in modeling transport and reaction processes a systematic approach to model building and the art of approximation

    CERN Document Server

    Krantz, William B

    2007-01-01

    This book is unique as the first effort to expound on the subject of systematic scaling analysis. Not written for a specific discipline, the book targets any reader interested in transport phenomena and reaction processes. The book is logically divided into chapters on the use of systematic scaling analysis in fluid dynamics, heat transfer, mass transfer, and reaction processes. An integrating chapter is included that considers more complex problems involving combined transport phenomena. Each chapter includes several problems that are explained in considerable detail. These are followed by several worked examples for which the general outline for the scaling is given. Each chapter also includes many practice problems. This book is based on recognizing the value of systematic scaling analysis as a pedagogical method for teaching transport and reaction processes and as a research tool for developing and solving models and in designing experiments. Thus, the book can serve as both a textbook and a reference boo...

  6. Calcium hydroxide silylation reaction with trimethylchlorosilane

    Directory of Open Access Journals (Sweden)

    Novoselnov Anatoliy A.

    2016-01-01

    Full Text Available The silylation reaction of a calcium hydroxide with a trimethylchlorosilane is studied as a silylation model by the gas-liquid chromatography. The silylation process is divided into three stages. A material balance of these stages is calculated. The schemes of the reactions at each stage of the process are proposed. The modified calcium hydroxide obtained at three repetitive stages of the silylation reaction has been investigated by the x-ray phase analysis, IR spectroscopy, thermal analysis, electron microscopy in a combination with the elemental analysis. It has been determined that at the first stage of the interaction the processes of the trimethylchlorosilane hydrolysis and of the hydrolysis products condensation dominate, and at the same time an adsorption process of the trimethylchlorosilane and its derivatives starts. Further, the hydrolysis of the trimethylchlorosilane by the «new» portions of a water formed in the reaction of a calcium hydroxide with a hydrogen chloride takes place, simultaneously the secondary reactions of the Si-O-Ca – ties’ formation and cleavage occur including as a silylation-desilylation dynamic equilibrium process.

  7. Progress in microscopic direct reaction modeling of nucleon induced reactions

    Energy Technology Data Exchange (ETDEWEB)

    Dupuis, M.; Bauge, E.; Hilaire, S.; Lechaftois, F.; Peru, S.; Pillet, N.; Robin, C. [CEA, DAM, DIF, Arpajon (France)

    2015-12-15

    A microscopic nuclear reaction model is applied to neutron elastic and direct inelastic scatterings, and pre-equilibrium reaction. The JLM folding model is used with nuclear structure information calculated within the quasi-particle random phase approximation implemented with the Gogny D1S interaction. The folding model for direct inelastic scattering is extended to include rearrangement corrections stemming from both isoscalar and isovector density variations occurring during a transition. The quality of the predicted (n,n), (n,n{sup '}), (n,xn) and (n,n{sup '}γ) cross sections, as well as the generality of the present microscopic approach, shows that it is a powerful tool that can help improving nuclear reactions data quality. Short- and long-term perspectives are drawn to extend the present approach to more systems, to include missing reactions mechanisms, and to consistently treat both structure and reaction problems. (orig.)

  8. 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

  9. Scattering and transfer reactions with heavy ions

    International Nuclear Information System (INIS)

    Hussein, M.S.

    From the elastic scattering analysis the input parameters are found for the inelastic scattering analysis and the transfer reactions of the heavy ion reactions. The main theme reported is the likeness and conection among these processes. (L.C.) [pt

  10. Bimodality: A Sign of Critical Behavior in Nuclear Reactions

    International Nuclear Information System (INIS)

    Le Fevre, A.; Aichelin, J.

    2008-01-01

    The recently discovered coexistence of multifragmentation and residue production for the same total transverse energy of light charged particles, which has been dubbed bimodality like it has been introduced in the framework of equilibrium thermodynamics, can be well reproduced in numerical simulations of heavy ion reactions. A detailed analysis shows that fluctuations (introduced by elementary nucleon-nucleon collisions) determine which of the exit states is realized. Thus, we can identify bifurcation in heavy ion reactions as a critical phenomenon. Also the scaling of the coexistence region with beam energy is well reproduced in these results from the quantum molecular dynamics simulation program

  11. Measurement and analysis of $\\alpha$ particle induced reactions on yttrium

    CERN Document Server

    Singh, N L; Chintalapudi, S N

    2000-01-01

    Excitation functions for /sup 89/Y[( alpha ,3n); ( alpha ,4n); ( alpha , p3n); ( alpha , alpha n); ( alpha , alpha 2n)] reactions were measured up to 50 MeV using stacked foil activation technique and HPGe gamma ray spectroscopy method. The experimental data were compared with calculations considering equilibrium as well as preequilibrium reactions according to the hybrid model of Blann (ALICE/90). For ( alpha , xnyp) type of reactions, the precompound contributions are described by the model. There seems to be indications of direct inelastic scattering effects in ( alpha , alpha xn) type of reactions. To the best of our knowledge, the excitation functions for ( alpha ,4n), ( alpha , p3n), ( alpha , alpha n) and ( alpha , alpha 2n) reactions were measured for the first time. (23 refs).

  12. Measurement and analysis of alpha particle induced reactions on yttrium

    Energy Technology Data Exchange (ETDEWEB)

    Singh, N.L.; Gadkari, M.S. [Baroda Univ. (India). Dept. of Physics; Chintalapudi, S.N. [IUC-DAEF Calcutta Centre, Calcutta (India)

    2000-05-01

    Excitation functions for {sup 89}Y[({alpha},3n);({alpha},4n);({alpha},p3n);({alpha},{alpha}n);({alpha},{alpha}2n)] reactions were measured up to 50 MeV using stacked foil activation technique and HPGe gamma ray spectroscopy method. The experimental data were compared with calculations considering equilibrium as well as preequilibrium reactions according to the hybrid model of Blann (ALICE/90). For ({alpha},xnyp) type of reactions, the precompound contributions are described by the model. There seems to be indications of direct inelastic scattering effects in ({alpha},{alpha}xn) type of reactions. To the best of our knowledge, the excitation functions for ({alpha},4n), ({alpha},p3n), ({alpha},{alpha}n) and ({alpha},{alpha}2n) reactions were measured for the first time. (orig.)

  13. Contribution to the analysis of dileptons production reactions in proton-proton collision with HADES; Contribution a l'analyse de reactions de production de dileptons en collision proton-proton avec HADES

    Energy Technology Data Exchange (ETDEWEB)

    Moriniere, E

    2008-03-15

    The most recent analysis of dilepton spectra, produced in heavy ion collisions, have shown the need for a precise knowledge of all dilepton production channels. The experimental HADES facility, installed on the GSI accelerator site, is appropriate for that goal. Thus, the Dalitz decay branching ratio of {delta} resonance ({delta} {yields} Ne{sup +}e{sup -}), which has never been measured, is studied in this work. Moreover, the pp {yields} p/ {delta}{sup +} {yields} ppe{sup +-} reaction could allow to provide some information about the internal resonance structure and more precisely, about the electromagnetic transition N - A form factors. The analysis of simulations shows the feasibility of this experiment, estimates the counting yield as well as the Signal over Background ratio. This analysis shows also the great importance of the momentum resolution of the detector for the success of this experiment. The momentum resolution must be investigated. In this work, an attempt to find out the most important contributions to the measured resolution is presented. The calibration step, which provides the relation between electronic time and physical time, the detector alignment (global, relative or internal) as well as the tracking method are studied. Some methods for improvement of these different contributions are proposed in order to reach the optimal resolution. (author)

  14. Phi-value analysis of a linear, sequential reaction mechanism: theory and application to ion channel gating.

    Science.gov (United States)

    Zhou, Yu; Pearson, John E; Auerbach, Anthony

    2005-12-01

    We derive the analytical form of a rate-equilibrium free-energy relationship (with slope Phi) for a bounded, linear chain of coupled reactions having arbitrary connecting rate constants. The results confirm previous simulation studies showing that Phi-values reflect the position of the perturbed reaction within the chain, with reactions occurring earlier in the sequence producing higher Phi-values than those occurring later in the sequence. The derivation includes an expression for the transmission coefficients of the overall reaction based on the rate constants of an arbitrary, discrete, finite Markov chain. The results indicate that experimental Phi-values can be used to calculate the relative heights of the energy barriers between intermediate states of the chain but provide no information about the energies of the wells along the reaction path. Application of the equations to the case of diliganded acetylcholine receptor channel gating suggests that the transition-state ensemble for this reaction is nearly flat. Although this mechanism accounts for many of the basic features of diliganded and unliganded acetylcholine receptor channel gating, the experimental rate-equilibrium free-energy relationships appear to be more linear than those predicted by the theory.

  15. Theoretical and experimental studies of N and SF2 reaction

    International Nuclear Information System (INIS)

    Yu Shuqin; Zhou Xiaoguo

    2000-02-01

    In this paper, free radical reaction of N+SF 2 induced by dc discharge in N 2 and SF 6 system was examined. Although the NS + (m/z = 46) ion signals were detected, NS + is not the spectral carrier from obtained REMPI spectra analysis. Ab initio quantum calculation shows that NSF is the main product of N + SF 2 . It is confirmed from this calculation that NS + obtained in experiment was produced by multiphoton ionization and dissociation of NSF which is real product of N + SF 2 reaction. (author)

  16. Analysis of reaction cross-section production in neutron induced fission reactions on uranium isotope using computer code COMPLET.

    Science.gov (United States)

    Asres, Yihunie Hibstie; Mathuthu, Manny; Birhane, Marelgn Derso

    2018-04-22

    This study provides current evidence about cross-section production processes in the theoretical and experimental results of neutron induced reaction of uranium isotope on projectile energy range of 1-100 MeV in order to improve the reliability of nuclear stimulation. In such fission reactions of 235 U within nuclear reactors, much amount of energy would be released as a product that able to satisfy the needs of energy to the world wide without polluting processes as compared to other sources. The main objective of this work is to transform a related knowledge in the neutron-induced fission reactions on 235 U through describing, analyzing and interpreting the theoretical results of the cross sections obtained from computer code COMPLET by comparing with the experimental data obtained from EXFOR. The cross section value of 235 U(n,2n) 234 U, 235 U(n,3n) 233 U, 235 U(n,γ) 236 U, 235 U(n,f) are obtained using computer code COMPLET and the corresponding experimental values were browsed by EXFOR, IAEA. The theoretical results are compared with the experimental data taken from EXFOR Data Bank. Computer code COMPLET has been used for the analysis with the same set of input parameters and the graphs were plotted by the help of spreadsheet & Origin-8 software. The quantification of uncertainties stemming from both experimental data and computer code calculation plays a significant role in the final evaluated results. The calculated results for total cross sections were compared with the experimental data taken from EXFOR in the literature, and good agreement was found between the experimental and theoretical data. This comparison of the calculated data was analyzed and interpreted with tabulation and graphical descriptions, and the results were briefly discussed within the text of this research work. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

  17. A mathematical analysis of Prx2-STAT3 disulfide exchange rate constants for a bimolecular reaction mechanism.

    Science.gov (United States)

    Langford, Troy F; Deen, William M; Sikes, Hadley D

    2018-03-22

    Appreciation of peroxiredoxins as the major regulators of H 2 O 2 concentrations in human cells has led to a new understanding of redox signaling. In addition to their status as the primary reducers of H 2 O 2 to water, the oxidized peroxiredoxin byproduct of this reaction has recently been shown capable of participation in H 2 O 2 -mediated signaling pathways through disulfide exchange reactions with the transcription factor STAT3. The dynamics of peroxidase-transcription factor disulfide exchange reactions have not yet been considered in detail with respect to how these reactions fit into the larger network of competing reactions in human cells. In this study, we used a kinetic model of oxidation and reduction reactions related to H 2 O 2 metabolism in the cytosol of human cells to study the dynamics of peroxiredoxin-2 mediated oxidation of the redox-regulated transcription factor STAT3. In combination with previously reported experimental data, the model was used to estimate the rate coefficient of a biomolecular reaction between Prx2 and STAT3 for two sets of assumptions that constitute lower and upper bound cases. Using these estimates, we calculated the relative rates of the reaction of oxidized peroxiredoxin-2 and STAT3 and other competing reactions in the cytosol. These calculations revealed that peroxiredoxin-2-mediated oxidation of STAT3 likely occurs at a much slower rate than competing reactions in the cytosol. This analysis suggests the existence of more complex mechanisms, potentially involving currently unknown protein-protein recognition partners, which facilitate disulfide exchange reactions between peroxiredoxin-2 and STAT3. Copyright © 2018 Elsevier Inc. All rights reserved.

  18. 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.

  19. Samarium ion exchanged montmorillonite for high temperature cumene cracking reaction

    International Nuclear Information System (INIS)

    Binitha, N.N.

    2009-01-01

    Full text: Nano material Montmorillonite clay is cation exchanged with samarium and its catalytic influence in cumene cracking reaction is investigated. Effect of exchange with sodium ions on further exchange with samarium ions is also noted. Acidity measurements are done using TPD of ammonia. The retention of basic structure is proved from FTIR spectra and XRD patterns. Elemental analysis result shows that samarium exchange has occurred, which is responsible for the higher catalytic activity. Surface area and pore volume remains more or less unaffected upon exchange. Thermogravimetric analysis indicates the enhanced thermal stability on exchanging. Cumene cracking reaction is carried out at atmospheric pressure in a fixed bed glass reactor at 673 K. The predominance of Bronsted acidity is confirmed from high selectivity to benzene. (author)

  20. 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.

  1. Analysis of a Buchwald-Hartwig amination: reaction for pharmaceutical production

    DEFF Research Database (Denmark)

    Christensen, Henrik

    The Buchwald-Hartwig amination reaction is widely used in the production of N-arylated amines in the pharmaceutical industry. The reaction is betweenan aryl halogen and a primary or secondary amine in the presence of a base and a homogeneous catalyst giving the desired N-arylated amine. Due to mild...... is to increase the understanding of the chem­ical reaction mechanisms and kinetics for the Buchwald-Hartwig amination reaction. Also, to develop methods for application of these mechanisms and kinetics to optimize and scale up an organic synthesis to an industrial phar­maceutical production. The Buchwald...

  2. Analysis of a Buckwald-Hartwig amination: reaction for pharmaceutical production

    DEFF Research Database (Denmark)

    Christensen, Henrik; Kiil, Søren; Dam-Johansen, Kim

    The Buchwald-Hartwig amination reaction is widely used in the production of N-arylated amines in the pharmaceutical industry. The reaction is betweenan aryl halogen and a primary or secondary amine in the presence of a base and a homogeneous catalyst giving the desired N-arylated amine. Due to mild...... is to increase the understanding of the chem­ical reaction mechanisms and kinetics for the Buchwald-Hartwig amination reaction. Also, to develop methods for application of these mechanisms and kinetics to optimize and scale up an organic synthesis to an industrial phar­maceutical production. The Buchwald...

  3. Cellular reprogramming dynamics follow a simple 1D reaction coordinate

    Science.gov (United States)

    Teja Pusuluri, Sai; Lang, Alex H.; Mehta, Pankaj; Castillo, Horacio E.

    2018-01-01

    Cellular reprogramming, the conversion of one cell type to another, induces global changes in gene expression involving thousands of genes, and understanding how cells globally alter their gene expression profile during reprogramming is an ongoing problem. Here we reanalyze time-course data on cellular reprogramming from differentiated cell types to induced pluripotent stem cells (iPSCs) and show that gene expression dynamics during reprogramming follow a simple 1D reaction coordinate. This reaction coordinate is independent of both the time it takes to reach the iPSC state as well as the details of the experimental protocol used. Using Monte-Carlo simulations, we show that such a reaction coordinate emerges from epigenetic landscape models where cellular reprogramming is viewed as a ‘barrier-crossing’ process between cell fates. Overall, our analysis and model suggest that gene expression dynamics during reprogramming follow a canonical trajectory consistent with the idea of an ‘optimal path’ in gene expression space for reprogramming.

  4. A Comperative Study on Perceptions and Reactions of Workers: A Resear ch on Blue and White Collar Workers

    Directory of Open Access Journals (Sweden)

    Fikret Ateş

    2014-06-01

    Full Text Available The purpose of this study is to examine perception of inequality and types of reaction of white and blue collar workers. The research was conducted over 120 white collar and 159 blue collar workers in an academic institution. It was determined with correlation analysis whether there is a relation between perception of inequality and reaction towards it for two groups. A significant and positive relation has been found between inequality perceptions and reaction towards inequality of blue collar workers. No significant relation has been found for white collar workers. Factor analysis was used to determine the dimensions of inequality perceptions andreactions towards inequality of blue and white collar workers. Results show that inequality perceptions and types of reactions towards inequality differ in terms of dimensions. Equity perceptions of blue collar workers are mostly based on comparisons with colleagues and nepotist behavior of their managers. White collar workers show sensitivity to the issues like salary, promotion and status. Blue collar workers prefer to report or to persuade their managers when they face with inequality. White collar workers decide to show their reactions by using more political methods.

  5. On the graph and systems analysis of reversible chemical reaction networks with mass action kinetics

    NARCIS (Netherlands)

    Rao, Shodhan; Jayawardhana, Bayu; Schaft, Arjan van der

    2012-01-01

    Motivated by the recent progresses on the interplay between the graph theory and systems theory, we revisit the analysis of reversible chemical reaction networks described by mass action kinetics by reformulating it using the graph knowledge of the underlying networks. Based on this formulation, we

  6. An autonomous organic reaction search engine for chemical reactivity

    Science.gov (United States)

    Dragone, Vincenza; Sans, Victor; Henson, Alon B.; Granda, Jaroslaw M.; Cronin, Leroy

    2017-06-01

    The exploration of chemical space for new reactivity, reactions and molecules is limited by the need for separate work-up-separation steps searching for molecules rather than reactivity. Herein we present a system that can autonomously evaluate chemical reactivity within a network of 64 possible reaction combinations and aims for new reactivity, rather than a predefined set of targets. The robotic system combines chemical handling, in-line spectroscopy and real-time feedback and analysis with an algorithm that is able to distinguish and select the most reactive pathways, generating a reaction selection index (RSI) without need for separate work-up or purification steps. This allows the automatic navigation of a chemical network, leading to previously unreported molecules while needing only to do a fraction of the total possible reactions without any prior knowledge of the chemistry. We show the RSI correlates with reactivity and is able to search chemical space using the most reactive pathways.

  7. Light ion reaction mechanisms and nuclear structure

    International Nuclear Information System (INIS)

    Robson, B.A.

    1986-01-01

    Of the many contributions to the subject 'Light ion reaction mechanism and nuclear structure', a few are selected and reviewed which highlight the present state of the field. Some contributions to the conference dealing with nuclear interactions are briefly outlined in the second section following an introductory section. Lane model calculations are compared with data for 9 Be and results are given showing angular distributions of the cross sections, the analyzing powers and the spin-rotation parameters for p - 40 Ca. Real central potential for d + 32 s resulting from the FB-analysis are compared with frozen density folding and delta-function folding. The third section deals with reaction mechanism. Data are cited which show near-side and far-side contributions to the calculated analyzing powers in the 116 Sn(d,p) 117 Sn (11.2 - ) transition. Calculations are compared with experimental A y and -(A yy + 2)/3. Also given are measurements of the cross sections and analyzing powers of the continuum energy spectra for the 58 Ni(p,p'x), along with relations between the analyzing powers and momentum transfer. The fourth section addresses nuclear structure. Cross sections and analyzing powers measured at 22 MeV for the reaction 208 Pb(p,t) 206 Pb(3 2 + ) are cited and considered. (Nogami, K.)

  8. Analysis of Chemical Reaction Kinetics Behavior of Nitrogen Oxide During Air-staged Combustion in Pulverized Boiler

    Directory of Open Access Journals (Sweden)

    Jun-Xia Zhang

    2016-03-01

    Full Text Available Because the air-staged combustion technology is one of the key technologies with low investment running costs and high emission reduction efficiency for the pulverized boiler, it is important to reveal the chemical reaction kinetics mechanism for developing various technologies of nitrogen oxide reduction emissions. At the present work, a three-dimensional mesh model of the large-scale four corner tangentially fired boiler furnace is established with the GAMBIT pre-processing of the FLUENT software. The partial turbulent premixed and diffusion flame was simulated for the air-staged combustion processing. Parameters distributions for the air-staged and no the air-staged were obtained, including in-furnace flow field, temperature field and nitrogen oxide concentration field. The results show that the air-staged has more regular velocity field, higher velocity of flue gas, higher turbulence intensity and more uniform temperature of flue gas. In addition, a lower negative pressure zone and lower O2 concentration zone is formed in the main combustion zone, which is conducive to the NO of fuel type reduced to N2, enhanced the effect of NOx reduction. Copyright © 2016 BCREC GROUP. All rights reserved Received: 5th November 2015; Revised: 14th January 2016; Accepted: 16th January 2016  How to Cite: Zhang, J.X., Zhang, J.F. (2016. Analysis of Chemical Reaction Kinetics Behavior of Nitrogen Oxide During Air-staged Combustion in Pulverized Boiler. Bulletin of Chemical Reaction Engineering & Catalysis, 11 (1: 100-108. (doi:10.9767/bcrec.11.1.431.100-108 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.11.1.431.100-108

  9. Analysis of gas absorption to a thin liquid film in the presence of a zero-order chemical reaction

    Science.gov (United States)

    Rajagopalan, S.; Rahman, M. M.

    1995-01-01

    The paper presents a detailed theoretical analysis of the process of gas absorption to a thin liquid film adjacent to a horizontal rotating disk. The film is formed by the impingement of a controlled liquid jet at the center of the disk and subsequent radial spreading of liquid along the disk. The chemical reaction between the gas and the liquid film can be expressed as a zero-order homogeneous reaction. The process was modeled by establishing equations for the conservation of mass, momentum, and species concentration and solving them analytically. A scaling analysis was used to determine dominant transport processes. Appropriate boundary conditions were used to solve these equations to develop expressions for the local concentration of gas across the thickness of the film and distributions of film height, bulk concentration, and Sherwood number along the radius of the disk. The partial differential equation for species concentration was solved using the separation of variables technique along with the Duhamel's theorem and the final analytical solution was expressed using confluent hypergeometric functions. Tables for eigenvalues and eigenfunctions are presented for a number of reaction rate constants. A parametric study was performed using Reynolds number, Ekman number, and dimensionless reaction rate as parameters. At all radial locations, Sherwood number increased with Reynolds number (flow rate) as well as Ekman number (rate of rotation). The enhancement of mass transfer due to chemical reaction was found to be small when compared to the case of no reaction (pure absorption), but the enhancement factor was very significant when compared to pure absorption in a stagnant liquid film. The zero-order reaction processes considered in the present investigation included the absorption of oxygen in aqueous alkaline solutions of sodiumdithionite and rhodium complex catalyzed carbonylation of methanol. Present analytical results were compared to previous theoretical

  10. Facile Hydrogen Evolution Reaction on WO3Nanorods

    Directory of Open Access Journals (Sweden)

    Rajeswari Janarthanan

    2007-01-01

    Full Text Available AbstractTungsten trioxide nanorods have been generated by the thermal decomposition (450 °C of tetrabutylammonium decatungstate. The synthesized tungsten trioxide (WO3 nanorods have been characterized by XRD, Raman, SEM, TEM, HRTEM and cyclic voltammetry. High resolution transmission electron microscopy and X-ray diffraction analysis showed that the synthesized WO3nanorods are crystalline in nature with monoclinic structure. The electrochemical experiments showed that they constitute a better electrocatalytic system for hydrogen evolution reaction in acid medium compared to their bulk counterpart.

  11. 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.

  12. On the deduction of chemical reaction pathways from measurements of time series of concentrations.

    Science.gov (United States)

    Samoilov, Michael; Arkin, Adam; Ross, John

    2001-03-01

    We discuss the deduction of reaction pathways in complex chemical systems from measurements of time series of chemical concentrations of reacting species. First we review a technique called correlation metric construction (CMC) and show the construction of a reaction pathway from measurements on a part of glycolysis. Then we present two new improved methods for the analysis of time series of concentrations, entropy metric construction (EMC), and entropy reduction method (ERM), and illustrate (EMC) with calculations on a model reaction system. (c) 2001 American Institute of Physics.

  13. Analysis of insulation material deterioration under the LOCA simulated environment on the basis of reaction kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Okada, Sohei; Kusama, Yasuo; Ito, Masayuki; Yagi, Toshiaki; Yoshikawa, Masato (Japan Atomic Energy Research Inst., Takasaki, Gunma. Takasaki Radiation Chemistry Research Establishment)

    1982-12-01

    In the type test of the electric cables installed in reactor containment vessels, it is considerably difficult to perform the testing over a year once in a while to simulate the accidental environment containing radiation and high temperature steam. Two requirements which seem to be more realistic as compared with the above mentioned testing method are inconsistent with each other. To solve this problem, a general rule of deterioration or the expression by an equation is necessary, which enables the extrapolation to show that a short term testing stands on the safety side. The authors have tried to numerically analyze the change of mechanical characteristics of ethylene-propylene rubber (EPR) and Hypalon which are, important as the materials for PH cables (fire-retardant, EP rubber-insulated, chlorosulfonated polyethylene-sheathed cable), in a complex environment of radiation, steam and chemical spray simulating PWR LOCA conditions. In this report, a method is proposed to analyze and estimate the properties by the regression analysis technique on the basis of reaction kinetics, and the analyzed results are described in the order of experiment, analysis method and the results and consideration. The deterioration of the elongation P = e/esub(o) of EPR and Hypalon in the above described complex environment can be represented by the equation - dP/dt = KPsup(n). The exponent n varied in the cases when air is contained or not in that environment, suggesting that the different reactions are dominant in both conditions, respectively. For EPR, n was close to 2 if air was not contained and close to 1 if air was contained in the system.

  14. Effects of reaction-kinetic parameters on modeling reaction pathways in GaN MOVPE growth

    Science.gov (United States)

    Zhang, Hong; Zuo, Ran; Zhang, Guoyi

    2017-11-01

    In the modeling of the reaction-transport process in GaN MOVPE growth, the selections of kinetic parameters (activation energy Ea and pre-exponential factor A) for gas reactions are quite uncertain, which cause uncertainties in both gas reaction path and growth rate. In this study, numerical modeling of the reaction-transport process for GaN MOVPE growth in a vertical rotating disk reactor is conducted with varying kinetic parameters for main reaction paths. By comparisons of the molar concentrations of major Ga-containing species and the growth rates, the effects of kinetic parameters on gas reaction paths are determined. The results show that, depending on the values of the kinetic parameters, the gas reaction path may be dominated either by adduct/amide formation path, or by TMG pyrolysis path, or by both. Although the reaction path varies with different kinetic parameters, the predicted growth rates change only slightly because the total transport rate of Ga-containing species to the substrate changes slightly with reaction paths. This explains why previous authors using different chemical models predicted growth rates close to the experiment values. By varying the pre-exponential factor for the amide trimerization, it is found that the more trimers are formed, the lower the growth rates are than the experimental value, which indicates that trimers are poor growth precursors, because of thermal diffusion effect caused by high temperature gradient. The effective order for the contribution of major species to growth rate is found as: pyrolysis species > amides > trimers. The study also shows that radical reactions have little effect on gas reaction path because of the generation and depletion of H radicals in the chain reactions when NH2 is considered as the end species.

  15. Some insights into formamide formation through gas-phase reactions in the interstellar medium

    International Nuclear Information System (INIS)

    Redondo, Pilar; Barrientos, Carmen; Largo, Antonio

    2014-01-01

    We study the viability of different gas-phase ion-molecule reactions that could produce precursors of formamide in the interstellar medium. We analyze different reactions between cations containing a nitrogen atom (NH 3 + , NH 4 + , NH 3 OH + , and NH 2 OH + ) and neutral molecules having one carbonyl group (H 2 CO and HCOOH). First, we report a theoretical estimation of the reaction enthalpies for the proposed processes. Second, for more favorable reactions, from a thermodynamic point of view, we perform a theoretical study of the potential energy surface. In particular, the more exothermic processes correspond to the reactions of ionized and protonated hydroxylamine with formaldehyde. In addition, a neutral-neutral reaction has also been considered. The analysis of the potential energy surfaces corresponding to these reactions shows that these processes present a net activation barrier and that they cannot be considered as a source of formamide in space.

  16. Some Insights into Formamide Formation through Gas-phase Reactions in the Interstellar Medium

    Science.gov (United States)

    Redondo, Pilar; Barrientos, Carmen; Largo, Antonio

    2014-01-01

    We study the viability of different gas-phase ion-molecule reactions that could produce precursors of formamide in the interstellar medium. We analyze different reactions between cations containing a nitrogen atom (NH_{3}^{+}, NH_{4}^{+}, NH3OH+, and NH2OH+) and neutral molecules having one carbonyl group (H2CO and HCOOH). First, we report a theoretical estimation of the reaction enthalpies for the proposed processes. Second, for more favorable reactions, from a thermodynamic point of view, we perform a theoretical study of the potential energy surface. In particular, the more exothermic processes correspond to the reactions of ionized and protonated hydroxylamine with formaldehyde. In addition, a neutral-neutral reaction has also been considered. The analysis of the potential energy surfaces corresponding to these reactions shows that these processes present a net activation barrier and that they cannot be considered as a source of formamide in space.

  17. Thermonuclear reaction listing

    International Nuclear Information System (INIS)

    Fukai, Yuzo

    1993-01-01

    The following 10 elements, including T, are well known as nuclear fusion fuels: p, D, T, 3 He, 4 He, 6 Li, 7 Li, 9 Be, 10 B, 11 B, ( 12 C, 13 C), where 12 C and 13 C are considered only in the calculation of Q value. Accordingly the number of the thermonuclear reactions is 55, and 78, if including carbon elements. The reactions have some branches. For the branches having two and three reaction products, the reaction products, Q value and threshold energy are calculated by using a computer. We have investigated those of the branches having more than three products from the papers of Ajzenberg-Selove and so on. And also, by the same papers, we check whether the above mentioned branch has been observed or not. The results are as follows: (I) the number of reactions which have Q 0 branches only with γ ray production, and Q 0 and neutron production is 36(17), and (IV) that of reactions whose branch with Q > 0 does not produce neutrons is 9(3). The value in the parentheses shows the number of the case of the carbon elements. For 55 thermonuclear reactions induced by lighter nuclides than 11 B, the reaction products, the values of Q and threshold energy, and the papers with reaction cross section data are presented in the tables. (author)

  18. Heavy ion transfer reactions

    International Nuclear Information System (INIS)

    Weisser, D.C.

    1977-06-01

    To complement discussions on the role of γ rays in heavy ion induced reactions, the author discusses the role played by particle detection. Transfer reactions are part of this subject and are among those in which one infers the properties of the residual nucleus in a reaction by observing the emerging light nucleus. Inelastic scattering ought not be excluded from this subject, although no particles are transferred, because of the role it plays in multistep reactions and in fixing O.M. parameters describing the entrance channel of the reaction. Heavy ion transfer reaction studies have been under study for some years and yet this research is still in its infancy. The experimental techniques are difficult and the demands on theory rigorous. One of the main products of heavy ion research has been the thrust to re-examine the assumptions of reaction theory and now include many effects neglected for light ion analysis. This research has spurred the addition of multistep processes to simple direct processes and coupled channel calculations. (J.R.)

  19. Coating of graphite flakes with MgO/carbon nanocomposite via gas state reaction

    Energy Technology Data Exchange (ETDEWEB)

    Sharif, M., E-mail: Sharif_m@metaleng.iust.ac.i [Iran University of Science and Technology, Tehran (Iran, Islamic Republic of); Faghihi-Sani, M.A. [Sharif University of Technology, Tehran (Iran, Islamic Republic of); Golestani-Fard, F. [Iran University of Science and Technology, Tehran (Iran, Islamic Republic of); Saberi, A. [Tabriz University (Iran, Islamic Republic of); Soltani, Ali Khalife [Iran University of Science and Technology, Tehran (Iran, Islamic Republic of)

    2010-06-18

    Coating of graphite flakes with MgO/carbon nanocomposite was carried out via gaseous state reaction between mixture of Mg metal, CO gas and graphite flakes at 1000 {sup o}C. XRD and FE-SEM analysis of coating showed that the coating was comprised of MgO nano particles and amorphous carbon distributed smoothly and covered the graphite surface evenly. Thermodynamic calculations were employed to predict the reaction sequences as well as phase stability. The effect of coating on water wettability and oxidation resistance of graphite was studied using contact angle measurement and TG analysis, respectively. It was demonstrated that the reaction between Mg and CO could result in MgO/C nanocomposite deposition. The coating improved water wettability of graphite and also enhanced the oxidation resistance of graphite flakes significantly. Also the graphite coating showed significant phenolic resin-wettabilty owing to high surface area of such hydrophilic nano composite coating. The importance of graphite coating is explained with emphasis on its potential application in graphite containing refractories.

  20. Detailed analysis of allergic cutaneous reactions to spinal cord stimulator devices

    Directory of Open Access Journals (Sweden)

    Chaudhry ZA

    2013-08-01

    Full Text Available Zeshan Ahmed Chaudhry,1 Umer Najib,2 Zahid H Bajwa,3 W Carl Jacobs,4 Javed Sheikh,5 Thomas T Simopoulos61Department of Diagnostic and Interventional Neuroradiology, Massachusetts General Hospital/Harvard Medical School, Boston, MA, USA; 2Department of Neurology, Robert C Byrd Health Sciences Center of West Virginia University, Morgantown, WV, USA; 3Boston Headache Institute, Waltham, MA, USA; 4Department of Pathology, Beth Israel Deaconess Medical Center, Harvard Medical School, Boston, MA, USA; 5Department of Medicine, Allergy and Immunology, 6Department of Anesthesia, Beth Israel Deaconess Medical Center, Brookline, MA, USAAbstract: The use of spinal cord stimulation (SCS devices to treat chronic, refractory neuropathic pain continues to expand in application. While device-related complications have been well described, inflammatory reactions to the components of these devices remain underreported. In contrast, hypersensitivity reactions associated with other implanted therapies, such as endovascular and cardiac rhythm devices, have been detailed. The purpose of this case series is to describe the clinical presentation and course of inflammatory reactions as well as the histology of these reactions. All patients required removal of the entire device after developing inflammatory reactions over a time course of 1–3 months. Two patients developed a foreign body reaction in the lead insertion wound as well as at the implantable pulse generator site, with histology positive for giant cells. One patient developed an inflammatory dermatitis on the flank and abdomen that resolved with topical hydrocortisone. “In vivo” testing with a lead extension fragment placed in the buttock resulted in a negative reaction followed by successful reimplantation of an SCS device. Inflammatory reactions to SCS devices can manifest as contact dermatitis, granuloma formation, or foreign body reactions with giant cell formation. Tissue diagnosis is essential, and

  1. Free Energy Contribution Analysis Using Response Kernel Approximation: Insights into the Acylation Reaction of a Beta-Lactamase.

    Science.gov (United States)

    Asada, Toshio; Ando, Kanta; Bandyopadhyay, Pradipta; Koseki, Shiro

    2016-09-08

    A widely applicable free energy contribution analysis (FECA) method based on the quantum mechanical/molecular mechanical (QM/MM) approximation using response kernel approaches has been proposed to investigate the influences of environmental residues and/or atoms in the QM region on the free energy profile. This method can evaluate atomic contributions to the free energy along the reaction path including polarization effects on the QM region within a dramatically reduced computational time. The rate-limiting step in the deactivation of the β-lactam antibiotic cefalotin (CLS) by β-lactamase was studied using this method. The experimentally observed activation barrier was successfully reproduced by free energy perturbation calculations along the optimized reaction path that involved activation by the carboxylate moiety in CLS. It was found that the free energy profile in the QM region was slightly higher than the isolated energy and that two residues, Lys67 and Lys315, as well as water molecules deeply influenced the QM atoms associated with the bond alternation reaction in the acyl-enzyme intermediate. These facts suggested that the surrounding residues are favorable for the reactant complex and prevent the intermediate from being too stabilized to proceed to the following deacylation reaction. We have demonstrated that the free energy contribution analysis should be a useful method to investigate enzyme catalysis and to facilitate intelligent molecular design.

  2. High luminescent L-cysteine capped CdTe quantum dots prepared at different reaction times

    Science.gov (United States)

    Kiprotich, Sharon; Onani, Martin O.; Dejene, Francis B.

    2018-04-01

    This paper reports a facile synthesis route of high luminescent L-cysteine capped CdTe quantum dots (QDs). The effect of reaction time on the growth mechanism, optical and physical properties of the CdTe QDs was investigated in order to find the suitability of them towards optical and medical applications. The representative high-resolution transmission microscopy (HRTEM) analysis showed that the as-obtained CdTe QDs appeared as spherical particles with excellent monodispersity. The images exhibited clear lattice fringes which are indicative of good crystallinity. The X-ray diffraction (XRD) pattern displayed polycrystalline nature of the QDs which correspond well to zinc blende phase of bulk CdTe. The crystallite sizes calculated from the Scherrer equation were less than 10 nm for different reaction times which were in close agreement with the values estimated from HRTEM. An increase in reaction time improved crystallinity of the sample as explained by highest peak intensity of the XRD supported by the photoluminescence emission spectra which showed high intensity at a longer growth time. It was observed that for prolonged growth time the emission bands were red shifted from about 517-557 nm for 5-180 min of reaction time due to increase in particle sizes. Ultraviolet and visible analysis displayed well-resolved absorption bands which were red shifted upon an increase in reaction time. There was an inverse relation between the band gap and reaction time. Optical band gap decreases from 3.98 to 2.59 eV with the increase in reaction time from 15 to 180 min.

  3. Theoretical considerations of Flow Injection Analysis in the Absence of Chemical Reactions

    DEFF Research Database (Denmark)

    Andersen, Jens Enevold Thaulov

    2000-01-01

    The fundamental mechanism of flow injection analysis (FIA) is assumed to be simple dissusion and the response of the detector is included in a model description that provide information about the shape of the FIA peak in terms of, basically, five parameters. Two of the five parameters are associa...... that any deviation from the features of the present model and the results of a tentative chemical reaction with one of the test compounds, is related to chemical kinetics.......The fundamental mechanism of flow injection analysis (FIA) is assumed to be simple dissusion and the response of the detector is included in a model description that provide information about the shape of the FIA peak in terms of, basically, five parameters. Two of the five parameters...

  4. The Effect of Sports and Physical Activity on Elderly Reaction Time and Response Time

    Directory of Open Access Journals (Sweden)

    Abdolrahman Khezri

    2014-07-01

    Full Text Available Objectives: Physical activities ameliorate elderly motor and cognitive performance. The aim of this research is to study the effect of sport and physical activity on elderly reaction time and response time. Methods & Materials: The research method is causal-comparative and its statistical population consists of 60 active and non-active old males over 60 years residing at Mahabad city. Reaction time was measured by reaction timer apparatus, made in Takei Company (YB1000 model. Response time was measured via Nelson’s Choice- Response Movement Test. At first, reaction time and then response time was measured. For data analysis, descriptive statistic, K-S Test and One Sample T Test were used Results K-S Test show that research data was parametric. According to the results of this research, physical activity affected reaction time and response time. Results: of T test show that reaction time (P=0.000 and response time (P=0.000 of active group was statistically shorter than non- active group. Conclusion: The result of current study demonstrate that sport and physical activity, decrease reaction and response time via psychomotor and physiological positive changes.

  5. Study of the (p,d3He) reaction as a quasi-free reaction process

    International Nuclear Information System (INIS)

    Cowley, A.A.; Roos, P.G.; Chant, N.S.; Woody, R. III; Holmgren, H.D.; Goldberg, D.A.

    1976-11-01

    The (p,d 3 He) reaction on 6 Li, 7 Li, 9 Be, and 12 C has been investigated in conjunction with studies of the (p,pα) reaction on the same targets. Coincident data for all four targets were obtained at a bombarding energy of 100 MeV for numerous angle pairs in order to test the reaction mechanism. Comparisons of the (p,d 3 He) data to both (p,pα) data and distorted wave impulse approximation calculations (DWIA) indicate a dominance of the direct quasi-free reaction process (p + alpha yields d + 3 He). The absolute alpha-particle spectroscopic factors extracted using DWIA analysis are in agreement with the values obtained in the (p,pα) reaction

  6. Study on radiation grafting reaction of MMA onto hydroxyapatite

    International Nuclear Information System (INIS)

    Jiang Bo

    1996-01-01

    The grafting reaction of MMA onto hydroxyapatite has been studied with the pre-irradiation method in air. The effects of radiation dose, monomer concentration, reaction temperature and inorganic acid on the system are observed. The grafting copolymerization is found to be controlled by the kinetics. If proper kinetic conditions are selected, a better grafting yield can be obtained. Employing weight method, burning method as well as SeM and IR analysis, it has been proved that MMA is definitely grafted onto hydroxyapatite by chemical bonds, which shows that it is possible to improve the interface of inorganic-organic composite materials and to make bioactive ceramics by using radiation induced-grafting copolymerization

  7. Externally controlled anisotropy in pattern-forming reaction-diffusion systems.

    Science.gov (United States)

    Escala, Dario M; Guiu-Souto, Jacobo; Muñuzuri, Alberto P

    2015-06-01

    The effect of centrifugal forces is analyzed in a pattern-forming reaction-diffusion system. Numerical simulations conducted on the appropriate extension of the Oregonator model for the Belousov-Zhabotinsky reaction show a great variety of dynamical behaviors in such a system. In general, the system exhibits an anisotropy that results in new types of patterns or in a global displacement of the previous one. We consider the effect of both constant and periodically modulated centrifugal forces on the different types of patterns that the system may exhibit. A detailed analysis of the patterns and behaviors observed for the different parameter values considered is presented here.

  8. An investigation into the management of acute skin reactions from tangential breast irradiation

    International Nuclear Information System (INIS)

    Meegan, M.A.; Haycocks, T.R.

    1997-01-01

    This research examined the acute skin reaction of two consecutive groups receiving tangetial breast irradiation for carcinoma of the breast. The first group used the traditional skin care advice of using warm water only within the treatment area, while the second group continued with their normal skin care regime. Data was collected on the physical manifestations of the acute reaction, medical history, the use of concurrent cytotoxic agents, treatment parameters and skin care products used. Statistical analysis using the T-test method showed no difference in the skin reaction between the two groups. The investigation has lead to a change of policy in the management of acute breast reactions. Patients receiving radiation therapy to the breast or chest wall can now use their routine skin care products with no adverse effect on skin reactions. (author)

  9. A prospective survey of delayed adverse reactions to iohexol in urography and computed tomography

    International Nuclear Information System (INIS)

    Munechika, Hirotsugu; Hiramatsu, Yoshihiro; Kudo, Sho; Sugimura, Kazuro; Hamada, Chikuma; Yamaguchi, Koichi; Katayama, Hitoshi

    2003-01-01

    We investigated 7505 inpatients who underwent intravenous urography or contrast-enhanced computed tomography to assess risk factors for delayed adverse drug reactions to iohexol, a non-ionic iodinated contrast medium. Focusing on delayed adverse reactions, all adverse events were prospectively investigated for 7 days after injection of iohexol. To explore the relevant risk factors, the relationship between occurrence of adverse reactions to iohexol and 17 different variables was evaluated by logistic regression analysis. To assess the influence of seasonal factors, adverse reactions were separately evaluated during two periods: February to April (the pollinosis period in Japan) and July to September (the non-pollinosis period). The prevalence of delayed adverse events and delayed adverse reactions was 3.5 and 2.8%, respectively, whereas the prevalence of adverse events and adverse reactions was 5.7 and 5.0%, respectively. Multivariate analysis showed that six parameters had a significant influence on delayed adverse reactions to iohexol, including (a) a history of allergy, (b) season, (c) radiographic procedure, (d) age, (e) concomitant surgery or other invasive procedures, and (f) concomitant medication. The prevalence of delayed reactions was lower than in previous large-scale studies. Significant risk factors included a history of allergy and performance of radiography during the pollinosis period, suggesting that allergy was involved in delayed adverse reactions. The type of radiographic procedure also had an influence. (orig.)

  10. Depressurization accident analysis of MPBR by PBRSIM with chemical reaction model

    International Nuclear Information System (INIS)

    No, Hee Cheon; Kadak, A. C.

    2002-01-01

    The simple model for natural circulation is implemented into PBR S IM to provide air inlet velocity from the containment air space. For the friction and form loss only the pebble region is considered conservatively modeling laminar flow through a packed bed. For the chemical reaction model of PBR S IM the oxidation rate is determined as the minimum value of three mechanisms estimated at each time step: oxygen mass flow rate entering the bottom of the reflector, oxidation rate by kinetics, and oxygen mass flow rate arriving at the graphite surface by diffusion. Oxygen mass flux arriving at the graphite surface by diffusion is estimated based on energy-mass analogy. Two types of exothermic chemical reaction are considered: (C + zO 2 → xCO + yCO 2 ) and (2CO + O 2 2CO 2 ). The heterogeneous and homogeneous chemical reaction rates by kinetics are determined by INEEL and Bruno correlations, respectively. The instantaneous depressurization accident of MPBR is simulated using PBR S IM with chemical model. The air inlet velocity is initially rapidly dropped within 10 hr and reaches a saturation value of about 1.5cm/s. The oxidation rate by the diffusion process becomes lower than that by the chemical kinetics above 600K. The maximum pebble bed temperatures without and with chemical reaction reach the peak values of 1560 and 1617 .deg. C at 80 hr and 92 hr, respectively. As the averaged temperatures in the bottom reflector and the pebble bed regions increase with time, (C+1/2O2 ->CO) reaction becomes dominant over (C+O 2 →CO 2 ) reaction. Also, the CO generated by (C+1/2O 2 →CO) reaction will be consumed by (2CO+O 2 →2CO 2 ) reaction and the energy homogeneously generated by this CO depletion reaction becomes dominant over the heterogeneous reaction

  11. Solutes and cells - aspects of advection-diffusion-reaction phenomena in biochips

    DEFF Research Database (Denmark)

    Vedel, Søren

    2012-01-01

    the dependencies on density. This shows that the varied single-cell behavior including the overall modulations imposed by density arise as a natural consequence of pseudopod-driven motility in a social context. The final subproject concerns the combined effects of advection, diffusion and reaction of several......Cell’), and the overall title of the project is Solutes and cells — aspects of advection-diffusion-reaction phenomena in biochips. The work has consisted of several projects focusing on theory, and to some extend analysis of experimental data, with advection-diffusion-reaction phenomena of solutes as the recurring theme...... quantitatively interpret the proximal concentration of specific solutes, and integrate this to achieve biological functions. In three specific examples, the author and co-workers have investigated different aspects of the influence of advection, diffusion and reaction on solute distributions, as well...

  12. Application of Monte Carlo Methods to Perform Uncertainty and Sensitivity Analysis on Inverse Water-Rock Reactions with NETPATH

    Energy Technology Data Exchange (ETDEWEB)

    McGraw, David [Desert Research Inst. (DRI), Reno, NV (United States); Hershey, Ronald L. [Desert Research Inst. (DRI), Reno, NV (United States)

    2016-06-01

    variation in source-water fraction between the deterministic and Monte Carlo approaches, and therefore, little variation in travel times between approaches. Sensitivity analysis proved very useful for identifying the most important input constraints (dissolved-ion concentrations), which can reveal the variables that have the most influence on source-water fractions and carbon-14 travel times. Once these variables are determined, more focused effort can be applied to determining the proper distribution for each constraint. Second, Monte Carlo results for water-rock reaction modeling showed discrete and nonunique results. The NETPATH models provide the solutions that satisfy the constraints of upgradient and downgradient water chemistry. There can exist multiple, discrete solutions for any scenario and these discrete solutions cause grouping of results. As a result, the variability in output may not easily be represented by a single distribution or a mean and variance and care should be taken in the interpretation and reporting of results.

  13. On-line Analysis of Catalytic Reaction Products Using a High-Pressure Tandem Micro-reactor GC/MS.

    Science.gov (United States)

    Watanabe, Atsushi; Kim, Young-Min; Hosaka, Akihiko; Watanabe, Chuichi; Teramae, Norio; Ohtani, Hajime; Kim, Seungdo; Park, Young-Kwon; Wang, Kaige; Freeman, Robert R

    2017-01-01

    When a GC/MS system is coupled with a pressurized reactor, the separation efficiency and the retention time are directly affected by the reactor pressure. To keep the GC column flow rate constant irrespective of the reaction pressure, a restrictor capillary tube and an open split interface are attached between the GC injection port and the head of a GC separation column. The capability of the attached modules is demonstrated for the on-line GC/MS analysis of catalytic reaction products of a bio-oil model sample (guaiacol), produced under a pressure of 1 to 3 MPa.

  14. The hydroxylation of passive oxide films on X-70 steel by dissolved hydrogen studied by nuclear reaction analysis, Auger electron spectroscopy, X-ray photoelectron spectroscopy and secondary ion mass spectroscopy

    International Nuclear Information System (INIS)

    Zhang Chunsi; Luo Jingli; Munoz-Paniagua, David; Norton, Peter R.

    2006-01-01

    Dissolved hydrogen is known to reduce the corrosion resistance of a passive oxide film on iron and its alloys, especially towards pitting corrosion. Electrochemical techniques have been used to show that the passive films are changed by dissolved hydrogen in an alloy substrate, but direct confirmation of the chemical and compositional profiles and changes has been missing. In this paper we report the direct profiling and compositional analysis of the 4 nm passive film on X-70 steel by Auger electron spectroscopy (AES), secondary ion mass spectrometry (SIMS), X-ray photoelectron spectroscopy (XPS) and nuclear reaction analysis (NRA) while hydrogen (deuterium) is charged into the alloy samples from the reverse, unpassivated side. The only route for D to the passive film is therefore by dissolution and diffusion. We show that the original duplex structure of the passive film is converted to a more continuous film containing hydroxyl groups, by reaction with the dissolved hydrogen. This conversion of the oxide ions to hydroxyl groups can lead to more rapid reaction and replacement with (e.g.) Cl - , which is known to enhance pitting. These results are entirely consistent with previous electrochemical studies and provide the first direct confirmation of models on the formation and role of hydroxyl groups derived from these earlier studies

  15. Comparison of reverse transcription-quantitative polymerase chain reaction methods and platforms for single cell gene expression analysis.

    Science.gov (United States)

    Fox, Bridget C; Devonshire, Alison S; Baradez, Marc-Olivier; Marshall, Damian; Foy, Carole A

    2012-08-15

    Single cell gene expression analysis can provide insights into development and disease progression by profiling individual cellular responses as opposed to reporting the global average of a population. Reverse transcription-quantitative polymerase chain reaction (RT-qPCR) is the "gold standard" for the quantification of gene expression levels; however, the technical performance of kits and platforms aimed at single cell analysis has not been fully defined in terms of sensitivity and assay comparability. We compared three kits using purification columns (PicoPure) or direct lysis (CellsDirect and Cells-to-CT) combined with a one- or two-step RT-qPCR approach using dilutions of cells and RNA standards to the single cell level. Single cell-level messenger RNA (mRNA) analysis was possible using all three methods, although the precision, linearity, and effect of lysis buffer and cell background differed depending on the approach used. The impact of using a microfluidic qPCR platform versus a standard instrument was investigated for potential variability introduced by preamplification of template or scaling down of the qPCR to nanoliter volumes using laser-dissected single cell samples. The two approaches were found to be comparable. These studies show that accurate gene expression analysis is achievable at the single cell level and highlight the importance of well-validated experimental procedures for low-level mRNA analysis. Copyright © 2012 Elsevier Inc. All rights reserved.

  16. Some insights into formamide formation through gas-phase reactions in the interstellar medium

    Energy Technology Data Exchange (ETDEWEB)

    Redondo, Pilar; Barrientos, Carmen; Largo, Antonio, E-mail: predondo@qf.uva.es [Computational Chemistry Group, Departamento de Química Física, Facultad de Ciencias, Universidad de Valladolid, E-47011 Valladolid (Spain)

    2014-01-10

    We study the viability of different gas-phase ion-molecule reactions that could produce precursors of formamide in the interstellar medium. We analyze different reactions between cations containing a nitrogen atom (NH{sub 3}{sup +}, NH{sub 4}{sup +}, NH{sub 3}OH{sup +}, and NH{sub 2}OH{sup +}) and neutral molecules having one carbonyl group (H{sub 2}CO and HCOOH). First, we report a theoretical estimation of the reaction enthalpies for the proposed processes. Second, for more favorable reactions, from a thermodynamic point of view, we perform a theoretical study of the potential energy surface. In particular, the more exothermic processes correspond to the reactions of ionized and protonated hydroxylamine with formaldehyde. In addition, a neutral-neutral reaction has also been considered. The analysis of the potential energy surfaces corresponding to these reactions shows that these processes present a net activation barrier and that they cannot be considered as a source of formamide in space.

  17. Chemical Characterization and Reactivity of Fuel-Oxidizer Reaction Product

    Science.gov (United States)

    David, Dennis D.; Dee, Louis A.; Beeson, Harold D.

    1997-01-01

    Fuel-oxidizer reaction product (FORP), the product of incomplete reaction of monomethylhydrazine and nitrogen tetroxide propellants prepared under laboratory conditions and from firings of Shuttle Reaction Control System thrusters, has been characterized by chemical and thermal analysis. The composition of FORP is variable but falls within a limited range of compositions that depend on three factors: the fuel-oxidizer ratio at the time of formation; whether the composition of the post-formation atmosphere is reducing or oxidizing; and the reaction or post-reaction temperature. A typical composition contains methylhydrazinium nitrate, ammonium nitrate, methylammonium nitrate, and trace amounts of hydrazinium nitrate and 1,1-dimethylhydrazinium nitrate. Thermal decomposition reactions of the FORP compositions used in this study were unremarkable. Neither the various compositions of FORP, the pure major components of FORP, nor mixtures of FORP with propellant system corrosion products showed any unusual thermal activity when decomposed under laboratory conditions. Off-limit thruster operations were simulated by rapid mixing of liquid monomethylhydrazine and liquid nitrogen tetroxide in a confined space. These tests demonstrated that monomethylhydrazine, methylhydrazinium nitrate, ammonium nitrate, or Inconel corrosion products can induce a mixture of monomethylhydrazine and nitrogen tetroxide to produce component-damaging energies. Damaging events required FORP or metal salts to be present at the initial mixing of monomethylhydrazine and nitrogen tetroxide.

  18. REACTION KINETICS SELF-PROPOGATION REGIME DURING PRE-IGNITION PERIOD

    Directory of Open Access Journals (Sweden)

    D. D. Polishchuk

    2015-11-01

    Full Text Available Self-propagation high temperature synthesis (SHS technological regulations application is mainly limited by transformation processes taking place in the pre-ignition period. Zn-S, Zn-Se, Ti-C and 3Ni-Al small sample systems ignition experimental study was carried out under heating conditions in inert atmosphere with temperature values T = 1200K.It was shown that at this temperature level a chemical reaction can be initiated, turning into a self-sustaining mode. Wherein the reaction limiting factors can be mass transfer processes. Ignition temperatures were determined and plotted via the samples size. A physical ignition model was developed assuming the pre-ignition period limiting reaction Arrhenius law.The inverse combustion problem solution made it possible to calculate the low-temperature (T = 800 ÷ 1200K reaction kinetic constant values. Comparison thus obtained values  with the known data of other researchers showed their good agreement.Activation energy values for the Zn-S system were used to calculate the heat wave propagation speed. This value appeared to coincide with experimental values.Obtained results analysis leads to the conclusion about the availability and justification for the proposed method of express-analysis of presupposed, but previously not studied SHS systems. The results thus obtained allow us to estimate conditions for the SHS technology implementation, the reactor characteristic sizes and the thermal wave’s propagation speed.

  19. Statistical theory of precompound nuclear reactions

    International Nuclear Information System (INIS)

    Nishioka, H.

    1986-01-01

    The purpose of the paper is to show the application of the Grassmann-integration method (or the graded-symmetry method) to a pre-equilibrium process in nuclear reactions. The Grassmann-integration method for random systems was first introduced by Efetov and later largely extended and applied to nuclear physics by Verbaarschot, Weidenmuller and Zirnbauer (referred to as VWZ). They have applied it to the equilibrium nuclear reactions; namely; the compound-nucleus reactions. It will be shown in this paper that this method is also applicable to non-equilibrium nuclear reactions. Applying this method to precompound nuclear reactions, the authors have obtained the same expression of the cross-section as Agassi, Weidenmuller and Mantzouranis (referred to as AWM) in the weak-coupling limit. In the general case their results show an important modification to AWM

  20. Nuclear reactions excited by recoil protons on a nuclear reactor

    International Nuclear Information System (INIS)

    Mukhammedov, S.; Khaydarov, A.; Barsukova, E.G.

    2006-01-01

    The nuclear reactions excited by recoil protons and of the detection possibility of the various chemical elements with the use of these secondary nucleus reactions were investigated. The recoil protons are produced on a nuclear reactor in the result of (n, p) inelastic and elastic scattering interaction of fast neutrons with nuclei of hydrogen. It is well known that the share of fast neutrons in energetic spectrum of reactor's neutrons in comparison with the share of thermal neutrons is small. . Consequently, the share of recoil protons produced in the result of fast neutron interaction with nuclei of light elements, capable to cause the nuclear reactions, is also small, des, due to Coulomb barrier of nuclei the recoil protons can cause the nuclear reactions only on nuclei of light and some middle elements. Our studies show that observable yields have radio nuclides excited in the result of nuclear reactions on Li, B, O, V and Cu. Our experimental results have demonstrated that the proton activation analysis based on the application of secondary nuclear reactions is useful technique to determine large contents of various light and medium chemical elements. Detection limits for studied chemical elements are estimated better than 10 ppm

  1. The Paterno-Buchi reaction

    DEFF Research Database (Denmark)

    Brogaard, Rasmus Yding; Schalk, Oliver; Boguslavskiy, Andrey E.

    2012-01-01

    The Paternò-Büchi (PB) reaction between an excited carbonyl compound and an alkene has been widely studied, but so far little is known about the excited-state dynamics of the reaction. In this investigation, we used a compound in which a formyl and a vinyl group are attached to a [2.......2]paracyclophane in order to obtain a model system in pre-reactive conformation for the PB reaction. We studied the excited-state dynamics of the isolated molecule in a molecular beam using femtosecond time-resolved photoelectron spectroscopy and ab initio calculations. The results show that inter-system crossing...... within two picoseconds competes efficiently with the reaction in the singlet manifold. Thus, the PB reaction in this model system takes place in the triplet state on a time scale of nanoseconds. This result stresses the importance of triplet states in the excited-state pathway of the PB reaction...

  2. Comparison of Sprint Reaction and Visual Reaction Times of Athletes in Different Branches

    Science.gov (United States)

    Akyüz, Murat; Uzaldi, Basar Basri; Akyüz, Öznur; Dogru, Yeliz

    2017-01-01

    The aims of this study are to analyse sprint reaction and visual reaction times of female athletes of different branches competing in Professional leagues and to show the differences between them. 42 voluntary female athletes from various branches of Professional leagues of Istanbul (volleyball, basketball, handball) were included in the…

  3. On the rejection-based algorithm for simulation and analysis of large-scale reaction networks

    Energy Technology Data Exchange (ETDEWEB)

    Thanh, Vo Hong, E-mail: vo@cosbi.eu [The Microsoft Research-University of Trento Centre for Computational and Systems Biology, Piazza Manifattura 1, Rovereto 38068 (Italy); Zunino, Roberto, E-mail: roberto.zunino@unitn.it [Department of Mathematics, University of Trento, Trento (Italy); Priami, Corrado, E-mail: priami@cosbi.eu [The Microsoft Research-University of Trento Centre for Computational and Systems Biology, Piazza Manifattura 1, Rovereto 38068 (Italy); Department of Mathematics, University of Trento, Trento (Italy)

    2015-06-28

    Stochastic simulation for in silico studies of large biochemical networks requires a great amount of computational time. We recently proposed a new exact simulation algorithm, called the rejection-based stochastic simulation algorithm (RSSA) [Thanh et al., J. Chem. Phys. 141(13), 134116 (2014)], to improve simulation performance by postponing and collapsing as much as possible the propensity updates. In this paper, we analyze the performance of this algorithm in detail, and improve it for simulating large-scale biochemical reaction networks. We also present a new algorithm, called simultaneous RSSA (SRSSA), which generates many independent trajectories simultaneously for the analysis of the biochemical behavior. SRSSA improves simulation performance by utilizing a single data structure across simulations to select reaction firings and forming trajectories. The memory requirement for building and storing the data structure is thus independent of the number of trajectories. The updating of the data structure when needed is performed collectively in a single operation across the simulations. The trajectories generated by SRSSA are exact and independent of each other by exploiting the rejection-based mechanism. We test our new improvement on real biological systems with a wide range of reaction networks to demonstrate its applicability and efficiency.

  4. A Multilevel Adaptive Reaction-splitting Simulation Method for Stochastic Reaction Networks

    KAUST Repository

    Moraes, Alvaro; Tempone, Raul; Vilanova, Pedro

    2016-01-01

    In this work, we present a novel multilevel Monte Carlo method for kinetic simulation of stochastic reaction networks characterized by having simultaneously fast and slow reaction channels. To produce efficient simulations, our method adaptively classifies the reactions channels into fast and slow channels. To this end, we first introduce a state-dependent quantity named level of activity of a reaction channel. Then, we propose a low-cost heuristic that allows us to adaptively split the set of reaction channels into two subsets characterized by either a high or a low level of activity. Based on a time-splitting technique, the increments associated with high-activity channels are simulated using the tau-leap method, while those associated with low-activity channels are simulated using an exact method. This path simulation technique is amenable for coupled path generation and a corresponding multilevel Monte Carlo algorithm. To estimate expected values of observables of the system at a prescribed final time, our method bounds the global computational error to be below a prescribed tolerance, TOL, within a given confidence level. This goal is achieved with a computational complexity of order O(TOL-2), the same as with a pathwise-exact method, but with a smaller constant. We also present a novel low-cost control variate technique based on the stochastic time change representation by Kurtz, showing its performance on a numerical example. We present two numerical examples extracted from the literature that show how the reaction-splitting method obtains substantial gains with respect to the standard stochastic simulation algorithm and the multilevel Monte Carlo approach by Anderson and Higham. © 2016 Society for Industrial and Applied Mathematics.

  5. A Multilevel Adaptive Reaction-splitting Simulation Method for Stochastic Reaction Networks

    KAUST Repository

    Moraes, Alvaro

    2016-07-07

    In this work, we present a novel multilevel Monte Carlo method for kinetic simulation of stochastic reaction networks characterized by having simultaneously fast and slow reaction channels. To produce efficient simulations, our method adaptively classifies the reactions channels into fast and slow channels. To this end, we first introduce a state-dependent quantity named level of activity of a reaction channel. Then, we propose a low-cost heuristic that allows us to adaptively split the set of reaction channels into two subsets characterized by either a high or a low level of activity. Based on a time-splitting technique, the increments associated with high-activity channels are simulated using the tau-leap method, while those associated with low-activity channels are simulated using an exact method. This path simulation technique is amenable for coupled path generation and a corresponding multilevel Monte Carlo algorithm. To estimate expected values of observables of the system at a prescribed final time, our method bounds the global computational error to be below a prescribed tolerance, TOL, within a given confidence level. This goal is achieved with a computational complexity of order O(TOL-2), the same as with a pathwise-exact method, but with a smaller constant. We also present a novel low-cost control variate technique based on the stochastic time change representation by Kurtz, showing its performance on a numerical example. We present two numerical examples extracted from the literature that show how the reaction-splitting method obtains substantial gains with respect to the standard stochastic simulation algorithm and the multilevel Monte Carlo approach by Anderson and Higham. © 2016 Society for Industrial and Applied Mathematics.

  6. Passivity analysis for uncertain BAM neural networks with time delays and reaction-diffusions

    Science.gov (United States)

    Zhou, Jianping; Xu, Shengyuan; Shen, Hao; Zhang, Baoyong

    2013-08-01

    This article deals with the problem of passivity analysis for delayed reaction-diffusion bidirectional associative memory (BAM) neural networks with weight uncertainties. By using a new integral inequality, we first present a passivity condition for the nominal networks, and then extend the result to the case with linear fractional weight uncertainties. The proposed conditions are expressed in terms of linear matrix inequalities, and thus can be checked easily. Examples are provided to demonstrate the effectiveness of the proposed results.

  7. Possibility of analysis using RBS, PIXE and nuclear reaction on the electrostatic Pelletron accelerator 5SDH-2

    International Nuclear Information System (INIS)

    Nguyen The Nghia; Bui Van Loat; Le Hong Khiem

    2011-01-01

    The electrostatic Pelletron accelerator 5SDH-2 is installing at Hanoi University of Sciences. This accelerator will be the first tandem electrostatic accelerator installed in Vietnam. The schematic structure, principle of operation of the machine and its application for analysis using Rutherford Back Scattering (RBS), Particle-Induced X-ray Emission (PIXE) and Nuclear Reaction Analysis (NRA) will be presented. (author)

  8. Influence of granitic aggregates from Northeast Brazil on the alkali-aggregate reaction

    Energy Technology Data Exchange (ETDEWEB)

    Gomes Neto, David de Paiva; Santana, Rodrigo Soares de; Barreto, Ledjane Silva, E-mail: pvgomes@uol.com.br [Universidade Federal de Sergipe (UFS), Sao Cristovao, SE (Brazil). Dept. de Ciencias dos Materiais e Engenharia; Conceicao, Herbert; Lisboa, Vinicios Anselmo Carvalho [Universidade Federal de Sergipe (UFS), Sao Cristovao, SE (Brazil). Dept. de Geologia

    2014-08-15

    The alkali-aggregate reaction (AAR) in concrete structures is a problem that has concerned engineers and researchers for decades. This reaction occurs when silicates in the aggregates react with the alkalis, forming an expanded gel that can cause cracks in the concrete and reduce its lifespan. The aim of this study was to characterize three coarse granitic aggregates employed in concrete production in northeastern Brazil, correlating petrographic analysis with the kinetics of silica dissolution and the evolution of expansions in mortar bars, assisted by SEM/EDS, XRD, and EDX. The presence of grains showing recrystallization into individual microcrystalline quartz subgrains was associated with faster dissolution of silica and greater expansion in mortar bars. Aggregates showing substantial deformation, such as stretched grains of quartz with strong undulatory extinction, experienced slower dissolution, with reaction and expansion occurring over longer periods that could not be detected using accelerated tests with mortar bars. (author)

  9. Local cell-mediated immune reactions in cancer patients

    International Nuclear Information System (INIS)

    Bilynskij, B.T.; Vasil'ev, N.V.; Volod'ko, N.A.; Akademiya Meditsinskikh Nauk SSSR, Tomsk. Onkologicheskij Nauchnyj Tsentr)

    1988-01-01

    The analysis of 178 cases of stage I-II breast cancer showed morphological features of local cell-mediated immune reactions to be of limited prognostic value. A comparative evaluation of some characteristics of cell surface receptors, such as ability to spontaneous rosette formation with sheep erythrocytes and sensitivty to theophylline, was carried out in lymphocyte samples obtained from tumor tissue and peripheral blood of 76 cancer patients subjected to preoperative radiotherapy. The said parameters were studied in breast cancer patients of rosette-forming cell reaction to theophylline were identified, the incidence of some of them being determined by the presence or absence of regional metastases. The level and functional activity of surface receptors of tumor mononuclear cells proved to influence prognosis

  10. Analysis of charged particle induced reactions for beam monitor applications

    Energy Technology Data Exchange (ETDEWEB)

    Surendra Babu, K. [IOP, Academia Sinica, Taipe, Taiwan (China); Lee, Young-Ouk [Nuclear Data Evaluation Laboratory, Korea Atomic Energy Research Institute (Korea, Republic of); Mukherjee, S., E-mail: smukherjee_msuphy@yahoo.co.in [Department of Physics, Faculty of Science, M.S. University of Baroda, Vadodara 390 002 (India)

    2012-07-15

    The reaction cross sections for different residual nuclides produced in the charged particle (p, d, {sup 3}He and {alpha}) induced reactions were calculated and compared with the existing experimental data which are important for beam monitoring and medical diagnostic applications. A detailed literature compilation and comparison were made on the available data sets for the above reactions. These calculations were carried out using the statistical model code TALYS up to 100 MeV, which contains Kalbach's latest systematic for the emission of complex particles and complex particle-induced reactions. All optical model calculations were performed by ECIS-03, which is built into TALYS. The level density, optical model potential parameters were adjusted to get the better description of experimental data. Various pre-equilibrium models were used in the present calculations with default parameters.

  11. Acoustic sodium-water reaction detection of the Phenix steam generators

    International Nuclear Information System (INIS)

    Carminati, M.; Martin, L.; Sauzaret, A.

    1990-01-01

    The systems for acoustic sodium-water reaction detection and hydrogen detection of the Phenix steam generators as well as systems for monitoring signals analysis and processing are described. It is reported that the results obtained during operation and calibration phases are very encouraging and that industrial equipment showing the same performance are being examined. 6 figs

  12. Palladium-catalyzed coupling reactions

    CERN Document Server

    Molnár, Árpád

    2013-01-01

    This handbook and ready reference brings together all significant issues of practical importance for interested readers in one single volume. While covering homogeneous and heterogeneous catalysis, the text is unique in focusing on such important aspects as using different reaction media, microwave techniques or catalyst recycling. It also provides a comprehensive treatment of modern-day coupling reactions and emphasizes those topics that show potential for future development, such as continuous flow systems, water as a reaction medium, and catalyst immobilization, among others. With i

  13. Study of transfer reactions (α,t), (α,3He) in the f-p shell: mechanism and spectroscopic use

    International Nuclear Information System (INIS)

    Roussel, P.

    1968-05-01

    We describe an experimental study of (α,t), (α, 3 He) reactions at 44 MeV using a solid-state identifier, on the target-nuclei 54 Fe and 58,60,62,64 Ni. A critical study of optical model and of disturbed wave analysis has been performed. We show the complementarity of different transfer-reactions, the ambiguity of spectroscopic factors, the importance of the problem of the reaction mechanism. (author) [fr

  14. Parallel replica dynamics method for bistable stochastic reaction networks: Simulation and sensitivity analysis

    Science.gov (United States)

    Wang, Ting; Plecháč, Petr

    2017-12-01

    Stochastic reaction networks that exhibit bistable behavior are common in systems biology, materials science, and catalysis. Sampling of stationary distributions is crucial for understanding and characterizing the long-time dynamics of bistable stochastic dynamical systems. However, simulations are often hindered by the insufficient sampling of rare transitions between the two metastable regions. In this paper, we apply the parallel replica method for a continuous time Markov chain in order to improve sampling of the stationary distribution in bistable stochastic reaction networks. The proposed method uses parallel computing to accelerate the sampling of rare transitions. Furthermore, it can be combined with the path-space information bounds for parametric sensitivity analysis. With the proposed methodology, we study three bistable biological networks: the Schlögl model, the genetic switch network, and the enzymatic futile cycle network. We demonstrate the algorithmic speedup achieved in these numerical benchmarks. More significant acceleration is expected when multi-core or graphics processing unit computer architectures and programming tools such as CUDA are employed.

  15. Parallel replica dynamics method for bistable stochastic reaction networks: Simulation and sensitivity analysis.

    Science.gov (United States)

    Wang, Ting; Plecháč, Petr

    2017-12-21

    Stochastic reaction networks that exhibit bistable behavior are common in systems biology, materials science, and catalysis. Sampling of stationary distributions is crucial for understanding and characterizing the long-time dynamics of bistable stochastic dynamical systems. However, simulations are often hindered by the insufficient sampling of rare transitions between the two metastable regions. In this paper, we apply the parallel replica method for a continuous time Markov chain in order to improve sampling of the stationary distribution in bistable stochastic reaction networks. The proposed method uses parallel computing to accelerate the sampling of rare transitions. Furthermore, it can be combined with the path-space information bounds for parametric sensitivity analysis. With the proposed methodology, we study three bistable biological networks: the Schlögl model, the genetic switch network, and the enzymatic futile cycle network. We demonstrate the algorithmic speedup achieved in these numerical benchmarks. More significant acceleration is expected when multi-core or graphics processing unit computer architectures and programming tools such as CUDA are employed.

  16. Measurement and analysis of cross sections for (p,x) reactions on natural molybdenum

    International Nuclear Information System (INIS)

    Challan, M. B.; Comsan, M.N.H.; Abou-Zeid, M.A.

    2006-01-01

    Excitation functions (EFs) for the reactions n atMo(p,x) 92m Nb, and n atMo(p,x) 94 , 95m , 95g , 96 m, +g , 99m Tc up to 18 MeV from threshold have been measured employing the stacked foil activation technique, and using high resolution HPGe gamma spectrometry. Utilizing the simultaneous measurement of the excitation function of n atCu(p,x) 62 Zn, n atCu(p,x) 63 Zn, n atCu(p,x) 65 Zn, and n atTi(p,x) 48 V monitor reactions. The theoretical analysis of the EFs has been done using both the semi-classical as well as quantum mechanical codes which include compound nucleus and pre-equilibrium (PE) emission into consideration. In general, theoretical calculations agree well with the experimental data. Effect of various free parameters used in the calculations has also been discussed. A significant contribution of pre-equilibrium component has been observed at these energies

  17. Localized temperature and chemical reaction control in nanoscale space by nanowire array.

    Science.gov (United States)

    Jin, C Yan; Li, Zhiyong; Williams, R Stanley; Lee, K-Cheol; Park, Inkyu

    2011-11-09

    We introduce a novel method for chemical reaction control with nanoscale spatial resolution based on localized heating by using a well-aligned nanowire array. Numerical and experimental analysis shows that each individual nanowire could be selectively and rapidly Joule heated for local and ultrafast temperature modulation in nanoscale space (e.g., maximum temperature gradient 2.2 K/nm at the nanowire edge; heating/cooling time chemical reactions such as polymer decomposition/cross-linking and direct and localized hydrothermal synthesis of metal oxide nanowires were demonstrated.

  18. 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

  19. Photocure Reactions of Photoreactive Prepolymers with Cinnamate Groups

    International Nuclear Information System (INIS)

    Kim, Whan Gun

    2011-01-01

    The photoreactive prepolymers with multifunctional cinnamate and bisphenol A type cinnamate groups that could perform photodimerization without photoinitiators were synthesized by the reaction of t-cinnamic acids (CAs) and epoxy resins. Their photocure reaction rates and the extent of reaction conversion were measured with Fourier transform infrared spectroscopy, and these increased with the intensity of UV irradiation. The experimental data of these reaction rates showed the characteristics of nth-order kinetics reaction, and all kinetic constants of each photoreactive polymer with this equation were summarized. Although the GTR-1800-HCA and KWG1-EP-HCA with hydroxyl group substituted cinnamate showed lower reaction conversion rates and rate constant than GTR-1800-CA and KWG1-EP-CA with an unsubstituted cinnamate group, GTR-1800-MCAand KWG1-EP-MCA with methoxy group substituted cinnamate showed similar and higher reaction conversion rates than the former, respectively. These results were explained in terms of segmental mobility for photopolymerization by molecular interactions

  20. 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

  1. Investigation of structural properties associated with alkali-silica reaction by means of macro- and micro-structural analysis

    International Nuclear Information System (INIS)

    Mo Xiangyin; Fournier, Benoit

    2007-01-01

    Structural properties associated with alkali-silica reaction were systematically investigated by means of macro-structural accelerated mortar prism expansion levels testing, combined with micro-structural analysis. One part of this study is to determine the reactivity of the aggregate by means of accelerated mortar bar tests, and also to evaluate perlite aggregate constituents, especially the presence of deleterious components and find main causes of the alkali-silica reaction, which was based on the petrographic studies by optical microscope and the implication of X-ray diffraction on the aggregate. Results implied that the aggregate was highly alkali-silica reactive and the main micro-crystalline quartz-intermediate character and matrix that is mainly composed of chalcedony are potentially suitable for alkali-silica reaction. The other part is to study the long-term effect of lithium salts against alkali-silica reaction by testing accelerated mortar prism expansion levels. The macro-structural results were also consistent with the micro-structural mechanisms of alkali-silica reaction of mortar prisms containing this aggregate and the effect of chemical admixtures by means of the methods of scanning electron microscope-X-ray energy-dispersive spectroscopy and X-ray diffraction. It was indicated by these techniques that lithium salts, which were introduced into concrete containing reactive aggregate at the mixing stage, suppressed the alkali-silica reaction by producing non-expansive crystalline materials

  2. A Reliable Method for the Evaluation of the Anaphylactoid Reaction Caused by Injectable Drugs

    Directory of Open Access Journals (Sweden)

    Fang Wang

    2016-10-01

    Full Text Available Adverse reactions of injectable drugs usually occur at first administration and are closely associated with the dosage and speed of injection. This phenomenon is correlated with the anaphylactoid reaction. However, up to now, study methods based on antigen detection have still not gained wide acceptance and single physiological indicators cannot be utilized to differentiate anaphylactoid reactions from allergic reactions and inflammatory reactions. In this study, a reliable method for the evaluation of anaphylactoid reactions caused by injectable drugs was established by using multiple physiological indicators. We used compound 48/80, ovalbumin and endotoxin as the sensitization agents to induce anaphylactoid, allergic and inflammatory reactions. Different experimental animals (guinea pig and nude rat and different modes of administration (intramuscular, intravenous and intraperitoneal injection and different times (15 min, 30 min and 60 min were evaluated to optimize the study protocol. The results showed that the optimal way to achieve sensitization involved treating guinea pigs with the different agents by intravenous injection for 30 min. Further, seven related humoral factors including 5-HT, SC5b-9, Bb, C4d, IL-6, C3a and histamine were detected by HPLC analysis and ELISA assay to determine their expression level. The results showed that five of them, including 5-HT, SC5b-9, Bb, C4d and IL-6, displayed significant differences between anaphylactoid, allergic and inflammatory reactions, which indicated that their combination could be used to distinguish these three reactions. Then different injectable drugs were used to verify this method and the results showed that the chosen indicators exhibited good correlation with the anaphylactoid reaction which indicated that the established method was both practical and reliable. Our research provides a feasible method for the diagnosis of the serious adverse reactions caused by injectable drugs which

  3. 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.)

  4. Accelerated Sensitivity Analysis in High-Dimensional Stochastic Reaction Networks.

    Science.gov (United States)

    Arampatzis, Georgios; Katsoulakis, Markos A; Pantazis, Yannis

    2015-01-01

    Existing sensitivity analysis approaches are not able to handle efficiently stochastic reaction networks with a large number of parameters and species, which are typical in the modeling and simulation of complex biochemical phenomena. In this paper, a two-step strategy for parametric sensitivity analysis for such systems is proposed, exploiting advantages and synergies between two recently proposed sensitivity analysis methodologies for stochastic dynamics. The first method performs sensitivity analysis of the stochastic dynamics by means of the Fisher Information Matrix on the underlying distribution of the trajectories; the second method is a reduced-variance, finite-difference, gradient-type sensitivity approach relying on stochastic coupling techniques for variance reduction. Here we demonstrate that these two methods can be combined and deployed together by means of a new sensitivity bound which incorporates the variance of the quantity of interest as well as the Fisher Information Matrix estimated from the first method. The first step of the proposed strategy labels sensitivities using the bound and screens out the insensitive parameters in a controlled manner. In the second step of the proposed strategy, a finite-difference method is applied only for the sensitivity estimation of the (potentially) sensitive parameters that have not been screened out in the first step. Results on an epidermal growth factor network with fifty parameters and on a protein homeostasis with eighty parameters demonstrate that the proposed strategy is able to quickly discover and discard the insensitive parameters and in the remaining potentially sensitive parameters it accurately estimates the sensitivities. The new sensitivity strategy can be several times faster than current state-of-the-art approaches that test all parameters, especially in "sloppy" systems. In particular, the computational acceleration is quantified by the ratio between the total number of parameters over the

  5. Accelerated Sensitivity Analysis in High-Dimensional Stochastic Reaction Networks.

    Directory of Open Access Journals (Sweden)

    Georgios Arampatzis

    Full Text Available Existing sensitivity analysis approaches are not able to handle efficiently stochastic reaction networks with a large number of parameters and species, which are typical in the modeling and simulation of complex biochemical phenomena. In this paper, a two-step strategy for parametric sensitivity analysis for such systems is proposed, exploiting advantages and synergies between two recently proposed sensitivity analysis methodologies for stochastic dynamics. The first method performs sensitivity analysis of the stochastic dynamics by means of the Fisher Information Matrix on the underlying distribution of the trajectories; the second method is a reduced-variance, finite-difference, gradient-type sensitivity approach relying on stochastic coupling techniques for variance reduction. Here we demonstrate that these two methods can be combined and deployed together by means of a new sensitivity bound which incorporates the variance of the quantity of interest as well as the Fisher Information Matrix estimated from the first method. The first step of the proposed strategy labels sensitivities using the bound and screens out the insensitive parameters in a controlled manner. In the second step of the proposed strategy, a finite-difference method is applied only for the sensitivity estimation of the (potentially sensitive parameters that have not been screened out in the first step. Results on an epidermal growth factor network with fifty parameters and on a protein homeostasis with eighty parameters demonstrate that the proposed strategy is able to quickly discover and discard the insensitive parameters and in the remaining potentially sensitive parameters it accurately estimates the sensitivities. The new sensitivity strategy can be several times faster than current state-of-the-art approaches that test all parameters, especially in "sloppy" systems. In particular, the computational acceleration is quantified by the ratio between the total number of

  6. Nuclear reactions as structure probes

    International Nuclear Information System (INIS)

    Fernandez, Bernard; Cugnon, Joseph; Roussel-Chomaz, Patricia; Sparenberg, Jean-Marc; Oliveira Santos, Francois de; Bauge, Eric; Poves, Alfredo; Keeley, Nicholas; Simenel, Cedric; Avez, Benoit; Lacroix, Denis; Baye, Daniel; Cortina-Gil, Dolores; Pons, Alexandre

    2007-09-01

    This publication gathers courses which aim at giving a view on new experiments which are performed by using radioactive beams, notably low intensity beams, in different accelerators, and allow the structure of very exotic nuclei to be characterized. Experimental as well as theoretical aspects are thus addressed. The contributions propose: a brief history of nuclear reactions and of instruments used to study them from the discovery of nucleus to the DWBA (Distorted Wave Born Approximation); an overview of nuclear reactions; experimental techniques; the theory of collisions at low energy; resonant elastic scattering, inelastic scattering and astrophysical reactions; to probe nuclear structure with nucleons; shell model and spectroscopic factors; analysis of transfer reactions and determination of spectroscopic factors; microscopic approaches of nuclear dynamics; theoretical aspects of dissociation reactions; experimental aspects of knockout reactions; research in oenology with the chemical characterisation of defective ageing of dry white wines

  7. Analysis of a Mathematical Model of Lithium-Sulfur Cells Part III: Electrochemical Reaction Kinetics, Transport Properties and Charging

    International Nuclear Information System (INIS)

    Ghaznavi, Mahmoudreza; Chen, P.

    2014-01-01

    Highlights: • The discharge behavior of Li-S cells in wide range of exchange current densities of electrochemical reactions is studied. • Among all reduction reactions, 1/2 S 8(l) +e − ⇌1/2 S 8 2− and 1/2 S 2 2− +e − ⇌2S 2− play the most important role in capacity performance. • Low diffusion increases the precipitation of polysulfides in separator which may block the anode surface. • Large solubility of Li 2 S is needed for the model to be able to simulate the charging process. - Abstract: Sensitivity analysis of a mathematical model of a lithium-sulfur (Li-S) battery was performed by investigating the response of the model to variation of the exchange current densities, diffusion coefficients, and cathode thickness over a wide range; the results of the analysis were used to explain the some aspects of the behavior of the system which may be seen in experiments. In particular, among all the exchange current densities, the exchange current density of the elemental sulfur reduction has the most significant effect on the discharge capacity of the cell. The variation of the diffusion coefficients was also analyzed, providing information on the non-uniformity of precipitants in the cell after discharge. An optimum cathode thickness was presented to gain the highest capacity of the cell. Finally, the simulation of charging was studied, showing that the model needs a large solubility product of di-lithium sulfide to be able to simulate the charge process of a cell

  8. Comprehensive genetic analysis of early host body reactions to the bioactive and bio-inert porous scaffolds.

    Directory of Open Access Journals (Sweden)

    Tomo Ehashi

    Full Text Available To design scaffolds for tissue regeneration, details of the host body reaction to the scaffolds must be studied. Host body reactions have been investigated mainly by immunohistological observations for a long time. Despite of recent dramatic development in genetic analysis technologies, genetically comprehensive changes in host body reactions are hardly studied. There is no information about host body reactions that can predict successful tissue regeneration in the future. In the present study, porous polyethylene scaffolds were coated with bioactive collagen or bio-inert poly(2-methacryloyloxyethyl phosphorylcholine-co-n-butyl methacrylate (PMB and were implanted subcutaneously and compared the host body reaction to those substrates by normalizing the result using control non-coat polyethylene scaffold. The comprehensive analyses of early host body reactions to the scaffolds were carried out using a DNA microarray assay. Within numerous genes which were expressed differently among these scaffolds, particular genes related to inflammation, wound healing, and angiogenesis were focused upon. Interleukin (IL-1β and IL-10 are important cytokines in tissue responses to biomaterials because IL-1β promotes both inflammation and wound healing and IL-10 suppresses both of them. IL-1β was up-regulated in the collagen-coated scaffold. Collagen-specifically up-regulated genes contained both M1- and M2-macrophage-related genes. Marked vessel formation in the collagen-coated scaffold was occurred in accordance with the up-regulation of many angiogenesis-inducible factors. The DNA microarray assay provided global information regarding the host body reaction. Interestingly, several up-regulated genes were detected even on the very bio-inert PMB-coated surfaces and those genes include inflammation-suppressive and wound healing-suppressive IL-10, suggesting that not only active tissue response but also the inert response may relates to these genetic

  9. Comprehensive Genetic Analysis of Early Host Body Reactions to the Bioactive and Bio-Inert Porous Scaffolds

    Science.gov (United States)

    Ehashi, Tomo; Takemura, Taro; Hanagata, Nobutaka; Minowa, Takashi; Kobayashi, Hisatoshi; Ishihara, Kazuhiko; Yamaoka, Tetsuji

    2014-01-01

    To design scaffolds for tissue regeneration, details of the host body reaction to the scaffolds must be studied. Host body reactions have been investigated mainly by immunohistological observations for a long time. Despite of recent dramatic development in genetic analysis technologies, genetically comprehensive changes in host body reactions are hardly studied. There is no information about host body reactions that can predict successful tissue regeneration in the future. In the present study, porous polyethylene scaffolds were coated with bioactive collagen or bio-inert poly(2-methacryloyloxyethyl phosphorylcholine-co-n-butyl methacrylate) (PMB) and were implanted subcutaneously and compared the host body reaction to those substrates by normalizing the result using control non-coat polyethylene scaffold. The comprehensive analyses of early host body reactions to the scaffolds were carried out using a DNA microarray assay. Within numerous genes which were expressed differently among these scaffolds, particular genes related to inflammation, wound healing, and angiogenesis were focused upon. Interleukin (IL)-1β and IL-10 are important cytokines in tissue responses to biomaterials because IL-1β promotes both inflammation and wound healing and IL-10 suppresses both of them. IL-1β was up-regulated in the collagen-coated scaffold. Collagen-specifically up-regulated genes contained both M1- and M2-macrophage-related genes. Marked vessel formation in the collagen-coated scaffold was occurred in accordance with the up-regulation of many angiogenesis-inducible factors. The DNA microarray assay provided global information regarding the host body reaction. Interestingly, several up-regulated genes were detected even on the very bio-inert PMB-coated surfaces and those genes include inflammation-suppressive and wound healing-suppressive IL-10, suggesting that not only active tissue response but also the inert response may relates to these genetic regulations. PMID:24454803

  10. Automatic simplification of systems of reaction-diffusion equations by a posteriori analysis.

    Science.gov (United States)

    Maybank, Philip J; Whiteley, Jonathan P

    2014-02-01

    Many mathematical models in biology and physiology are represented by systems of nonlinear differential equations. In recent years these models have become increasingly complex in order to explain the enormous volume of data now available. A key role of modellers is to determine which components of the model have the greatest effect on a given observed behaviour. An approach for automatically fulfilling this role, based on a posteriori analysis, has recently been developed for nonlinear initial value ordinary differential equations [J.P. Whiteley, Model reduction using a posteriori analysis, Math. Biosci. 225 (2010) 44-52]. In this paper we extend this model reduction technique for application to both steady-state and time-dependent nonlinear reaction-diffusion systems. Exemplar problems drawn from biology are used to demonstrate the applicability of the technique. Copyright © 2014 Elsevier Inc. All rights reserved.

  11. Nanoscale studies of cement chemistry with 15N resonance reaction analysis

    International Nuclear Information System (INIS)

    Schweitzer, Jeffrey S.; Livingston, Richard A.; Rolfs, Claus; Becker, Hans-Werner; Kubsky, Stefan; Spillane, Timothy; Castellote, Marta; Viedma, Paloma G. de

    2005-01-01

    Analyses of materials with ion beams have proven to be a valuable technique for describing the spatial distributions of specific elements in host materials. We have applied this technique using the 15 N(p, αγ) 12 C reaction to study the time dependence of the chemical reactions involved in the curing of cement. By using the Dynamitron Tandem accelerator at the Ruhr Universitaet, Bochum, Germany, we have been able to achieve a few nanometer spatial resolution at the surface of cement grains and to study the hydrogen distributions to a depth of about 2 μm. By applying a technique for stopping the chemical reactions at arbitrary times, the time dependence of the chemical reactions involving specific components of cement can be investigated. In addition, the effects of additives on the chemical reactions have been studied, as have materials that are components of concrete

  12. Carrying out thermodynamic calculations and definition of the main reactions of decomposition of vapours of ethyl alcohol

    International Nuclear Information System (INIS)

    Sechin, A I; Kyrmakova, O S; Ivanova, T A

    2015-01-01

    Thermodynamic opportunities of course of chemical reactions of decomposition of the vapors of ethyl alcohol necessary at development of devices where these reactions will take place are considered. The entalpiyny method of calculation of constants of balance of probable chemical reactions is given in the Excel editor. Independent reactions of process of oxidation are defined. By result of thermodynamic calculation of each reaction schedules of dependence of a constant of balance on environment temperature from which follows are constructed that one reactions proceed until the end of aside formation of the final products, and others are improbable or impossible. The analysis of the received results shows that reactions of oxidation will successfully proceed in the established directions, and for an intensification of process of decomposition it is necessary to provide a supply of some energy which quantity will be sufficient for oxidation of vapors of ethyl alcohol. Results of calculations showed good convergence with programs of thermodynamic calculations like 'Aster - 4' and 'TERRA'. (paper)

  13. Imaging Molecular Motion: Femtosecond X-Ray Scattering of an Electrocyclic Chemical Reaction

    Science.gov (United States)

    Minitti, M. P.; Budarz, J. M.; Kirrander, A.; Robinson, J. S.; Ratner, D.; Lane, T. J.; Zhu, D.; Glownia, J. M.; Kozina, M.; Lemke, H. T.; Sikorski, M.; Feng, Y.; Nelson, S.; Saita, K.; Stankus, B.; Northey, T.; Hastings, J. B.; Weber, P. M.

    2015-06-01

    Structural rearrangements within single molecules occur on ultrafast time scales. Many aspects of molecular dynamics, such as the energy flow through excited states, have been studied using spectroscopic techniques, yet the goal to watch molecules evolve their geometrical structure in real time remains challenging. By mapping nuclear motions using femtosecond x-ray pulses, we have created real-space representations of the evolving dynamics during a well-known chemical reaction and show a series of time-sorted structural snapshots produced by ultrafast time-resolved hard x-ray scattering. A computational analysis optimally matches the series of scattering patterns produced by the x rays to a multitude of potential reaction paths. In so doing, we have made a critical step toward the goal of viewing chemical reactions on femtosecond time scales, opening a new direction in studies of ultrafast chemical reactions in the gas phase.

  14. SWAAM-LT: The long-term, sodium/water reaction analysis method computer code

    International Nuclear Information System (INIS)

    Shin, Y.W.; Chung, H.H.; Wiedermann, A.H.; Tanabe, H.

    1993-01-01

    The SWAAM-LT Code, developed for analysis of long-term effects of sodium/water reactions, is discussed. The theoretical formulation of the code is described, including the introduction of system matrices for ease of computer programming as a general system code. Also, some typical results of the code predictions for available large scale tests are presented. Test data for the steam generator design with the cover-gas feature and without the cover-gas feature are available and analyzed. The capabilities and limitations of the code are then discussed in light of the comparison between the code prediction and the test data

  15. Development of a novel fingerprint for chemical reactions and its application to large-scale reaction classification and similarity.

    Science.gov (United States)

    Schneider, Nadine; Lowe, Daniel M; Sayle, Roger A; Landrum, Gregory A

    2015-01-26

    Fingerprint methods applied to molecules have proven to be useful for similarity determination and as inputs to machine-learning models. Here, we present the development of a new fingerprint for chemical reactions and validate its usefulness in building machine-learning models and in similarity assessment. Our final fingerprint is constructed as the difference of the atom-pair fingerprints of products and reactants and includes agents via calculated physicochemical properties. We validated the fingerprints on a large data set of reactions text-mined from granted United States patents from the last 40 years that have been classified using a substructure-based expert system. We applied machine learning to build a 50-class predictive model for reaction-type classification that correctly predicts 97% of the reactions in an external test set. Impressive accuracies were also observed when applying the classifier to reactions from an in-house electronic laboratory notebook. The performance of the novel fingerprint for assessing reaction similarity was evaluated by a cluster analysis that recovered 48 out of 50 of the reaction classes with a median F-score of 0.63 for the clusters. The data sets used for training and primary validation as well as all python scripts required to reproduce the analysis are provided in the Supporting Information.

  16. Market Reaction to the Adoption of International Financial Reporting Standard in Indonesia

    Directory of Open Access Journals (Sweden)

    Yen Sun

    2014-11-01

    Full Text Available The aim of the study is to analyze the market’s reaction on the adoption of International Financial Reporting Standard (IFRS in Indonesia. Investor reaction will be perceived by the existence of abnormal return as well as the difference of trading volume. The analysis tool used is One-sample test to assess the existence of abnormal return and Paired Sample T-test to observe the difference trading volume 3 days before and after the announcement of financial report. The sample was constituted by 31 Indonesian companies randomly selected listed on LQ45 and have been impacted by the adoption of IFRS since 2011. The result shows that there is no abnormal return 3 days before and after the announcement of financial report. However, there is abnormal return on the day of announcement. Trading volume shows there is no market reaction to the IFRS adoption 3 days before and after the announcement.

  17. Compositional analysis of sulfated polysaccharides from sea cucumber (Stichopus japonicus) released by autolysis reaction.

    Science.gov (United States)

    Song, Shuang; Wu, Sufeng; Ai, Chunqing; Xu, Xin; Zhu, Zhenjun; Cao, Chunyang; Yang, Jingfeng; Wen, Chengrong

    2018-07-15

    Autolysis is not only a major reason for postharvest quality deterioration of sea cucumber, but also a promising alternative for exogenous protease to produce peptides or polysaccharides. However, little has been known about the effects of autolysis on bioactive polysaccharides of sea cucumber. Concerning the quality and safety of sea cucumber products involved autolysis reaction, the present study focused on the chemical composition of sulfated polysaccharides (SPs) released by autolysis reaction. Chemical analysis indicated that after 3-day autolysis 63% of sulfated polysaccharides were liberated but with protein chains at their reducing ends. Then the composition of SP obtained by autolysis (A-SP) was compared with that of total SPs (T-SP) via a series of analysis techniques, including FTIR, 1 H NMR, HPLC and mass spectroscopy. As indicated by the results, fucan to fucosylated chondroitin sulfate ratio was found high in A-SP compared to T-SP, fucan with a lower molecular weight was the major fraction in A-SP, and the di-sulfated Fuc residue observed in T-SP was absent in A-SP. To conclude, A-SP differed greatly from T-SP in the chemical composition, suggesting possible changes on their bioactivities. Copyright © 2018. Published by Elsevier B.V.

  18. A vacuum--generated inertia reaction force

    International Nuclear Information System (INIS)

    Rueda, Alfonso; Haisch, Bernard

    2001-01-01

    A clear and succinct covariant approach shows that, in principle, there must be a contribution to the inertia reaction force on an accelerated object by the surrounding vacuum electromagnetic field in which the object is embedded. No details of the vacuum to object electromagnetic interaction need to be specified other than the fact that the object is made of electromagnetically interacting particles. Some interesting consequences of this feature are discussed. This analysis strongly supports the concept that inertia is indeed an opposition of the vacuum fields to any attempt to change the uniform state of motion of material bodies. This also definitely shows that inertia should be viewed as extrinsic to mass and that causing agents and/or mechanisms responsible for the inertia reaction force are neither intrinsic to the notion of mass nor to the entities responsible for the existence of mass in elementary particles (as, e.g., the Higgs field). In other words the mechanism that produces the inertia-reaction-force requires an explicit explanation. This explicit explanation is that inertia is an opposition of the vacuum fields to the accelerated motion of any material entities, i.e., of entities that possess mass. It is briefly commented why the existence of a Higgs field responsible for the generation of mass in elementary particles does not contradict the view presented here. It is also briefly discussed why a strict version of Mach's Principle does really contradict this view, though a broad sense version of Mach's Principle may be in agreement

  19. Effect of age, gender and body mass index on visual and auditory reaction times in Indian population.

    Science.gov (United States)

    Nikam, Lalita H; Gadkari, Jayshree V

    2012-01-01

    The effect of Age. Gender and Body Mass Index (BMI) on the Visual (VRT) and Auditory reaction time (ART) was studied in 30 males and 30 females in the age group of 18-20 years along with 30 males and 30 females in the age group of 65-75 years. Statistical analysis of the data by one-way ANOVA and post-hoc by Tukey-HSD test showed that BMI, VRT and ART were significantly higher in old than young individuals. Females had higher BMI and longer reaction times than males. There was significant positive correlation between BMI and reaction times (VRT and ART) in both males and females by Pearson correlation analysis. Older individuals should be more careful and vigilant about the injuries and falls due to increased reaction time. Longer reaction times and higher BMI in females could be attributed to fluid and salt retention due to female sex hormones affecting sensorimotor co-ordination.

  20. Menaquinone-7 in the reaction center complex of the green sulfur bacterium Chlorobium vibrioforme functions as the electron acceptor A1

    DEFF Research Database (Denmark)

    Kjaer, B; Frigaard, N-U; Yang, F

    1998-01-01

    Photosynthetically active reaction center complexes were prepared from the green sulfur bacterium Chlorobium vibrioforme NCIMB 8327, and the content of quinones was determined by extraction and high-performance liquid chromatography. The analysis showed a stoichiometry of 1.7 molecules of menaqui......Photosynthetically active reaction center complexes were prepared from the green sulfur bacterium Chlorobium vibrioforme NCIMB 8327, and the content of quinones was determined by extraction and high-performance liquid chromatography. The analysis showed a stoichiometry of 1.7 molecules...

  1. Numerical analysis for Darcy-Forchheimer flow in presence of homogeneous-heterogeneous reactions

    Directory of Open Access Journals (Sweden)

    Muhammad Ijaz Khan

    Full Text Available A mathematical study is presented to investigate the influences of homogeneous and heterogeneous reactions in local similar flow caused by stretching sheet with a non-linear velocity and variable thickness. Porous medium effects are characterized by using Darcy-Forchheimer porous-media. A simple isothermal model of homogeneous-heterogeneous reactions is used. The multiphysical boundary value problem is dictated by ten thermophysical parameters: ratio of mass diffusion coefficients, Prandtl number, local inertia coefficient parameter, inverse Darcy number, shape parameter, surface thickness parameter, Hartman number, Homogeneous heat reaction, strength of homogeneous-heterogeneous reactions and Schmidt number. Resulting systems are computed by Runge-Kutta-Fehlberg method. Different shapes of velocity are noticed for n > 1 and n < 1. Keywords: Homogeneous-heterogeneous reactions, Non Darcy porous medium, Variable sheet thickness, Homogeneous heat reaction with stoichiometric coefficient, Runge-Kutta-Fehlberg method

  2. Vertical ground reaction force analysis during gait with unstable shoes

    Directory of Open Access Journals (Sweden)

    Giulia Pereira

    Full Text Available AbstractIntroduction Footwear is no longer just an accessory but also a protection for the musculoskeletal system, and its most important characteristic is comfort.Objectives This study aims to identify and to analyze the vertical ground reaction force in barefoot women and women with unstable shoes.Methodology Five women aged 25 ± 4 years old and mass of 50 ± 7 kg participated in this study. An AMTI force plate was used for data acquisition. The 10 trials for each situation were considered valid where the subject approached the platform with the right foot and at the speed of 4 km/h ± 5%. The instable shoe of this study is used in the practice of physical activity.Results The results showed that the first peak force was higher for the footwear situation, about 5% and significant differences between the barefoot and footwear situation. This significant difference was in the first and second peaks force and in the time of the second peak.Conclusion The values showed that the footwear absorbs approximately 45% of the impact during gait.

  3. Analysis of acoustic data from UK sodium/water reaction test facilities

    International Nuclear Information System (INIS)

    Rowley, R.; Mcknight, J.A.; Airey, J.

    1990-01-01

    This paper describes acoustic measurements made during a number of sodium/water reaction experiments in the UK. The tests have included water and steam injections through both realistic (fatigue crack) defects and machined orifices and have covered a range of experimental conditions including those appropriate to the inlet and outlet regions of the EFR steam generators. Injection rates were typically in the range 0.1 to 30 g/s. Where possible, gas injections were also included in the test programme for comparison, since it is anticipated that a practical SGU acoustic leak detection system would include a facility for gas injections to allow system calibration, and to confirm transmission properties within the SGU. The test sections were instrumented with accelerometers on waveguides and in some cases included an under-sodium microphone situated about 300mm above the reaction zone. Tape recordings were made during the tests and used for detailed analysis off-line, although an audible output from one of the acoustic channels was used to monitor the progress of the injections and provide information for the rig operators. A comparison of the signal amplitudes measured during the experiments with typical reactor background noise was made and an estimate of the detection sensitivity of an acoustic monitoring system was deduced. 3 refs, 5 figs, 1 tab

  4. Reaction kinetics of dolomite rim growth

    Science.gov (United States)

    Helpa, V.; Rybacki, E.; Abart, R.; Morales, L. F. G.; Rhede, D.; Jeřábek, P.; Dresen, G.

    2014-04-01

    Reaction rims of dolomite (CaMg[CO3]2) were produced by solid-state reactions at the contacts of oriented calcite (CaCO3) and magnesite (MgCO3) single crystals at 400 MPa pressure, 750-850 °C temperature, and 3-146 h annealing time to determine the reaction kinetics. The dolomite reaction rims show two different microstructural domains. Elongated palisades of dolomite grew perpendicular into the MgCO3 interface with length ranging from about 6 to 41 µm. At the same time, a 5-71 µm wide rim of equiaxed granular dolomite grew at the contact with CaCO3. Platinum markers showed that the original interface is located at the boundary between the granular and palisade-forming dolomite. In addition to dolomite, a 12-80 µm thick magnesio-calcite layer formed between the dolomite reaction rims and the calcite single crystals. All reaction products show at least an axiotactic crystallographic relationship with respect to calcite reactant, while full topotaxy to calcite prevails within the granular dolomite and magnesio-calcite. Dolomite grains frequently exhibit growth twins characterized by a rotation of 180° around one of the equivalent axis. From mass balance considerations, it is inferred that the reaction rim of dolomite grew by counter diffusion of MgO and CaO. Assuming an Arrhenius-type temperature dependence, activation energies for diffusion of CaO and MgO are E a (CaO) = 192 ± 54 kJ/mol and E a (MgO) = 198 ± 44 kJ/mol, respectively.

  5. Study of the reaction {gamma}p {yields} p{pi}{sup 0}{eta}

    Energy Technology Data Exchange (ETDEWEB)

    Horn, I.; Bartholomy, O.; Beck, R.; Ehmanns, A.; Ernst, J.; Fabry, I.; Fuchs, M.; Funke, C.; Gutz, E.; Junkersfeld, J.; Kalinowsky, H.; Klempt, E.; Lotz, J.; Pee, H. van; Schmidt, C.; Szczepanek, T.; Thoma, U.; Walther, D.; Weinheimer, C. [Universitaet Bonn, Helmholtz-Institut fuer Strahlen- und Kernphysik, Bonn (Germany); Anisovich, A.V.; Nikonov, V.A.; Sarantsev, A.V. [Universitaet Bonn, Helmholtz-Institut fuer Strahlen- und Kernphysik, Bonn (Germany); Petersburg Nuclear Physics Institute, Gatchina (Russian Federation); Anton, G.; Bogendoerfer, R.; Foesel, A.; Hoessl, J.; Suft, G. [Universitaet Erlangen, Physikalisches Institut, Erlangen (Germany); Bantes, R.; Gothe, R.; Hoeffgen, S.; Klein, F.; Konrad, M.; Langheinrich, J.; Menze, D.; Ostrick, M.; Schmieden, H.; Schoch, B. [Universitaet Bonn, Physikalisches Institut, Bonn (Germany); Beloglazov, Y.; Gridnev, A.; Lopatin, I.; Novinski, D.; Sumachev, V. [Petersburg Nuclear Physics Institute, Gatchina (Russian Federation); Castelijns, R.; Loehner, H. [Kernfysisch Versneller Instituut, Groningen (Netherlands); Crede, V. [Florida State University, Department of Physics, Tallahassee, FL (United States); Flemming, H.; Koch, H.; Kopf, B.; Matthaey, H. [Universitaet Bochum, Institut fuer Experimentalphysik I, Bochum (Germany); Krusche, B. [Universitaet Basel, Institut fuer Physik, Basel (Switzerland); Messchendorp, J.; Metag, V. [Universitaet Giessen, II. Physikalisches Institut, Giessen (Germany)

    2008-11-15

    The reaction {gamma}p {yields} p{pi}{sup 0}{eta} has been studied with the CBELSA detector at the tagged photon beam of the Bonn electron stretcher facility. The reaction shows contributions from {delta}{sup +}(1232){eta}, N(1535){sup +}{pi}{sup 0} and pa{sub 0}(980) as intermediate states. A partial-wave analysis suggests that the reaction proceeds via formation of six {delta} -resonances, {delta}(1600)P{sub 33}, {delta}(1920)P{sub 33}, {delta}(1700)D{sub 33}, {delta}(1940)D{sub 33}, {delta}(1905)F{sub 35}, {delta}(2360)D{sub 33}, and two nucleon resonances N(1880)P{sub 11} and N(2200)P{sub 13}, for which pole positions and decay branching ratios are given. (orig.)

  6. Chemical boundary layers in CVD II. Reversible reactions

    NARCIS (Netherlands)

    Croon, de M.H.J.M.; Giling, L.J.

    1990-01-01

    In addition to irreversible reactions, which were treated in part I, reversible reactions in the gas phase have beenstudied using the concept of the chemical boundary layer. The analysis is given for the situations in which either the forwardor the back reaction is dominant. Two conceptual models

  7. C-13 isotopic studies of the surface catalysed reactions of methane

    International Nuclear Information System (INIS)

    Long, M.A.; He, S.J.X.; Adebajo, M.

    1997-01-01

    The ability of methane to methylate aromatic compounds, which are considered to be models for coal, is being studied. Related to this reaction, but at higher temperatures, is the direct formation of benzene from methane in the presence of these catalysts. Controversy exists in the literature on the former reaction, and 13 C isotope studies are being used to resolve the question. The interest in this reaction arises because the utilisation of methane, in the form of natural gas, in place of hydrogen for direct coal liquefaction would have major economic advantage. For this reason Isotope studies in this area have contributed significantly to an understanding of the methylation reactions. The paper describes experiments utilising methane 13 C, which show that methylation of aromatics such as naphthalene by the methane 13 C is catalysed by microporous, Cu-exchanged SAPO-5, at elevated pressures (6.8 MPa) and temperatures around 400 degree C. The mass spectrometric analysis and n.m.r. study of the isotopic composition of the products of the methylation reaction demonstrate unequivocally that methane provides the additional carbon atom for the methylated products. Thermodynamic calculations predict that the reaction is favourable at high methane pressures under these experimental conditions. The mechanism as suggested by the isotope study is discussed. The catalysts which show activity for the activation of methane for direct methylation of organic compounds, such as naphthalene, toluene, phenol and pyrene, are substituted aluminophosphate molecular sieves, EIAPO-5 (where El=Pb, Cu, Ni and Si) and a number of metal substituted zeolites. Our earlier tritium studies had shown that these catalysts will activate alkanes, at least as far as isotope hydrogen exchange reactions are concerned

  8. Synthesis by the Pechini method and reaction combustion for the preparation of TiO{sub 2}: a comparative analysis; Sintese pelo metodo Pechini e reacao de combustao para preparacao de TiO{sub 2}: uma analise comparativa

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, E.P.; Ribeiro, P.C.; Freitas, N.L.; Lira, H.L.; Costa, A.C.F.M. da [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Dept. de Engenharia de Materiais; Kiminami, R.H.G.A. [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil). Dept. de Engenharia de Materiais

    2009-07-01

    The aim of this work is to prepare TiO{sub 2} powder by Pechini and combustion reaction methods. A comparative analysis between the structural and morphological results obtained by the two methods was investigated. The powders were characterized by X-ray diffractions (XRD), infrared analysis, nitrogen adsorption (BET) and particle size distribution. The results from XRD show that the powders prepared by Pechini method and by combustion reaction using aniline as fuel, present anatase as major phase and traces of rutile phase. The values of crystallite size and surface area from BET were: 30 e 44 nm; 6.2 e 4.4 m{sup 2}/g, for the powders prepared by Pechini and combustion reaction, respectively. The values of particle size were: 21.9 e 5.3 {mu}m, for the powders prepared by Pechini and combustion reaction, respectively. The Pechini method was more suitable to obtain powders with irregular agglomerates, in the block shape with particles bonded softly and small crystallite size. (author)

  9. Determination of transport and reaction swarm coefficients from the analysis of complex transient pulses from the pulsed Townsend experiment

    International Nuclear Information System (INIS)

    Bekstein, A; De Urquijo, J; Rodríguez-Luna, J C; Juárez, A M; Ducasse, O

    2012-01-01

    We present in this paper the interpretation and analysis of transient pulses from a pulsed Townsend experiment by solving the continuity equations of the charged carriers (electrons and ions) involved in the avalanche. The set of second order partial differential equations is solved by SIMAV, a simulator designed specifically for the pulsed Townsend avalanche. Complex situations involving processes such as electron detachment, ion-molecule reactions, Penning ionization and secondary electron emission from ion impact at the cathode, virtually impossible to solve analytically, are discussed here to illustrate the capability of the simulator to help explain the various reaction processes involved in the avalanche, and also to derive some of the transport and reaction coefficients.

  10. Analysis of the 7Be (P, γ) 8B reaction at extremely low energies within the modified two-body potential approach

    International Nuclear Information System (INIS)

    Sanetullaev, A.; Igamov, S.B.; Yarmukhamedov, R.

    2004-01-01

    Full text: Obtaining the extremely low energy cross sections for the reaction 7 Be(p,γ ) 8 B is of great interest for a reliable estimation of the rate of this reaction, which is crucial for an accurate determination of the solar neutrino flux. At present, in current literature, there is a rather wide spread in estimation of this rate (see, for instance, Ref. [1] and references therein). In this work, the modified two-body potential approach for analysis of the astrophysical S- factor S(E) for the peripheral direct radiative capture 7 Be(p,γ ) 8 B reaction of astrophysical interest is applied, in which the additional conditions of verification of the peripheral character of the reaction under consideration are formulated. The method involves the information on the asymptotic normalization coefficient (ANC) for the virtual decay 8 B → 7 Be+p and allows one to exclude the model dependence of the calculated direct astrophysical S-factor S(E) on the geometric parameters (radius r 0 and diffuseness a) of the adopted Woods-Saxon potential, which is usually used for calculations both for the two-body ( 7 Be+p)-bound state and for the 7 Be p -scattering state. The rather precise experimental astrophysical S-factor, S exp (E), in the energy range 100 7 Be(p,γ ) 8 B reaction, measured recently by the authors of Ref. [1] is used for the analysis. It is demonstrated that at extremely low energies this reaction is strongly peripheral and the measured S exp (E) can be used as an independent source of getting the information about the ANC. The new information about values of the ANC is obtained with an estimation of the weighted mean errors for them, which involves both the experimental errors of the S exp (E), and uncertainty of the method not exceeding 4%. The extracted value of the ANC is equal to C 2 =C 2 1/2 +C 2 3/2 =5.68± 0.15 fm -1 , where the indices show the value total angular momentum of the proton in the (p+ 7 Be)-bound state of 8 B. It was also demonstrated

  11. Comparison of vertical ground reaction forces during overground and treadmill running. A validation study

    Directory of Open Access Journals (Sweden)

    Kluitenberg Bas

    2012-11-01

    Full Text Available Abstract Background One major drawback in measuring ground-reaction forces during running is that it is time consuming to get representative ground-reaction force (GRF values with a traditional force platform. An instrumented force measuring treadmill can overcome the shortcomings inherent to overground testing. The purpose of the current study was to determine the validity of an instrumented force measuring treadmill for measuring vertical ground-reaction force parameters during running. Methods Vertical ground-reaction forces of experienced runners (12 male, 12 female were obtained during overground and treadmill running at slow, preferred and fast self-selected running speeds. For each runner, 7 mean vertical ground-reaction force parameters of the right leg were calculated based on five successful overground steps and 30 seconds of treadmill running data. Intraclass correlations (ICC(3,1 and ratio limits of agreement (RLOA were used for further analysis. Results Qualitatively, the overground and treadmill ground-reaction force curves for heelstrike runners and non-heelstrike runners were very similar. Quantitatively, the time-related parameters and active peak showed excellent agreement (ICCs between 0.76 and 0.95, RLOA between 5.7% and 15.5%. Impact peak showed modest agreement (ICCs between 0.71 and 0.76, RLOA between 19.9% and 28.8%. The maximal and average loading-rate showed modest to excellent ICCs (between 0.70 and 0.89, but RLOA were higher (between 34.3% and 45.4%. Conclusions The results of this study demonstrated that the treadmill is a moderate to highly valid tool for the assessment of vertical ground-reaction forces during running for runners who showed a consistent landing strategy during overground and treadmill running. The high stride-to-stride variance during both overground and treadmill running demonstrates the importance of measuring sufficient steps for representative ground-reaction force values. Therefore, an

  12. [Electromagnetic studies of nuclear structure and reactions

    International Nuclear Information System (INIS)

    1992-01-01

    The experimental goals are focused on developing an understanding of strong interactions and the structure of hadronic systems by determination of the electromagnetic response; these goals will be accomplished through coincidence detection of final states. Nuclear modeling objectives are to organize and interpret the data through a consistent description of a broad spectrum of reaction observables; calculations are performed in a nonrelativistic diagrammatic framework as well as a relativistic QHD approach. Work is described according to the following arrangement: direct knockout reactions (completion of 16 O(e,e'p), 12 C(e,e'pp) progress, large acceptance detector physics simulations), giant resonance studies (intermediate-energy experiments with solid-state detectors, the third response function in 12 C(e,e'p 0 ) and 16 O(e,e'p 0 ), comparison of the 12 C(e, e'p 0 ) and 16 O(e,e'p 3 ) reactions, quadrupole strength in the 16 O(e,e'α 0 ) reaction, quadrupole strength in the 12 C(e,e'α) reaction, analysis of the 12 C(e,e'p 1 ) and 16 O(e,e'p 3 ) angular distributions, analysis of the 40 Ca(e,e'x) reaction at low q, analysis of the higher-q 12 C(e,e'x) data from Bates), models of nuclear structure (experimental work, Hartree-Fock calculations, phonon excitations in spherical nuclei, shell model calculations, variational methods for relativistic fields), and instrumentation development efforts (developments at CEBAF, CLAS contracts, BLAST developments)

  13. An outbreak of food poisoning due to egg yolk reaction-negative Staphylococcus aureus.

    Science.gov (United States)

    Miwa, N; Kawamura, A; Masuda, T; Akiyama, M

    2001-03-20

    An outbreak of staphylococcal food poisoning due to an egg yolk (EY) reaction-negative strain occurred in Japan. Twenty-one of 53 dam construction workers who ate boxed lunches prepared at their company cafeteria became ill, and eight required hospital treatment. The outbreak showed a typical incubation time (1.5-4 h with a median time of 2.7 h) and symptoms (vomiting and diarrhea) of staphylococcal food poisoning. Staphylococcus aureus, which produces staphylococcal enterotoxin (SE) A, was isolated from four fecal specimens of eight patients tested. Scrambled egg in the boxed lunches contained 20-40 ng/g of SEA, and 3.0 x 10(9)/g of viable S. aureus cells that produced this toxin. All isolates from patients and the food were EY reaction-negative, coagulase type II, and showed the same restriction fragment length polymorphism (RFLP) pattern. We concluded that the outbreak was caused by scrambled egg contaminated with EY reaction-negative S. aureus. In Japan, outbreaks of staphylococcal food poisoning are mainly caused by EY reaction-positive S. aureus, and EY reaction-negative colonies grown on agar plates containing EY are usually not analyzed further for detection of S. aureus. The present outbreak suggested that EY reaction-negative isolates should be subjected to further analysis to detect the causative agents of staphylococcal food poisoning.

  14. Schreibersite: an effective catalyst in the formose reaction network

    Science.gov (United States)

    Pallmann, S.; Šteflová (neé Svobodová, J.; Haas, M.; Lamour, S.; Henß, A.; Trapp, O.

    2018-05-01

    We report on the ability of the meteoritic material schreibersite to catalyze the generation of higher sugars from simple carbohydrates in the formose reaction network. Since the analysis of carbonaceous meteorites like the Murchison meteorite it has become generally accepted that a substantial amount of organic material has been delivered to the early earth and, therefore, ought to be considered in scenarios for the origin(s) of life. Also for the open question of accessible phosphorus sources, an extraterrestrial material called schreibersite has been identified that is capable of releasing soluble and reactive phosphorus oxyanions that would react with organics to form for instance nucleotides and membrane associated molecules. We have reinvestigated this material using capillary electrophoresis to monitor its corrosion process in water and probed its ability to phosphorylate a wide range of organics. Although showing a poor reactivity of schreibersite, we have found that the material catalyzes the aldol reaction of small carbohydrates forming larger sugar molecules. This reaction in the formose reaction network is a prebiotically likely route to biologically relevant sugars. The results of our study present one of the first instances of connecting extraterrestrial material to prebiotic chemistry on the early earth.

  15. Nuclear reaction analysis (NRA) for trace element detection

    Energy Technology Data Exchange (ETDEWEB)

    Doebeli, M. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Noll, K. [Bern Univ. (Switzerland)

    1997-09-01

    Ion beam induced nuclear reactions can be used to analyse trace element concentrations in materials. The method is especially suited for the detection of light contaminants in heavy matrices. (author) 3 figs., 2 refs.

  16. Computational and experimental studies on stabilities, reactions and reaction rates of cations and ion-dipole complexes

    NARCIS (Netherlands)

    Ervasti, H.K.

    2008-01-01

    In this thesis, ion stability, ion-molecule reactions and reaction rates are studied using mass spectrometry and molecular modelling. In Chapter 2 the effect of functional group substitution on neutral and ionised ketene are studied. Electron-donating substituents show a stabilising positive

  17. Component Analysis of Sweet BV and Clinical Trial on Antibody Titer and Allergic Reactions

    OpenAIRE

    Ki Rok, Kwon; Suk Ho, Choi; Bae Chun Cha

    2006-01-01

    Objectives : The aim of this study was to observe prevention of allergic reactions of Sweet Bee Venom (removing enzyme components from Bee Venom). Methods : Content analysis of Sweet Bee Venom and Bee Venom was rendered using HPLC method and characterization of Anti-Sweet Bee Venom in Rabbit Serum. Clinical observation was conducted for inducement of allergic responses to Sweet BV. Results : 1. Analyzing melittin content using HPLC, Sweet BV contained 34.9% more melittin than Bee venom ...

  18. Specific solvent effect on lumazine photophysics: A combined fluorescence and intrinsic reaction coordinate analysis

    Energy Technology Data Exchange (ETDEWEB)

    Moyon, N. Shaemningwar; Gashnga, Pynsakhiat Miki; Phukan, Smritakshi; Mitra, Sivaprasad, E-mail: smitra@nehu.ac.in

    2013-06-27

    Highlights: • Correlation of lumazine photophysics with multiparametric Kamlet–Taft equation. • Solvent basicity (β) contributes maximum towards the hydrogen bonding (HB) effect. • HB interaction occurs at N1 and N3 proton in S{sub 0} and S{sub 1} state, respectively. • IRC calculation for different tautomerization processes both in S{sub 0} and S{sub 1} states. • Process related to riboflavin biosynthesis is thermodynamically feasible. - Abstract: The photophysical properties and tautomerization behavior of neutral lumazine were studied by fluorescence spectroscopy and density functional theory calculation. A quantitative estimation of the contributions from different solvatochromic parameters, like solvent polarizibility (π{sup ∗}), hydrogen bond donation (α) and hydrogen bond accepting (β) ability of the solvent, was made using linear free energy relationships based on the Kamlet–Taft equation. The analysis reveals that the hydrogen bond acceptance ability of the solvent is the most important parameter characterizing the excited state behavior of lumazine. Theoretical calculations result predict an extensive charge redistribution of lumazine upon excitation corresponding to the N3 and N1 proton dissociation sites by solvents in the ground and excited states, respectively. Comparison of S{sub 0} and S{sub 1} state potential energy curves constructed for several water mediated tautomerization processes by intrinsic reaction coordinate analysis of lumazine-H{sub 2}O cluster shows that (3,2) and (1,8) hydrogen migrations are the most favorable processes upon excitation.

  19. 7Li(d,p)8Li transfer reaction in the NCSM/RGM approach

    Science.gov (United States)

    Raimondi, F.; Hupin, G.; Navrátil, P.; Quaglioni, S.

    2018-03-01

    Recently, we applied an ab initio method, the no-core shell model combined with the resonating group method, to the transfer reactions with light p-shell nuclei as targets and deuteron as the projectile. In particular, we studied the elastic scattering of deuterium on 7Li and the 7Li(d,p)8Li transfer reaction starting from a realistic two-nucleon interaction. In this contribution, we review of our main results on the 7Li(d,p)8Li transfer reaction, and we extend the study of the relevant reaction channels, by showing the dominant resonant phase shifts of the scattering matrix. We assess also the impact of the polarization effects of the deuteron below the breakup on the positive-parity resonant states in the reaction. For this purpose, we perform an analysis of the convergence trend of the phase and eigenphase shifts, with respect to the number of deuteron pseudostates included in the model space.

  20. Kinetic modelling of hydro-treatment reactions by study of different chemical groups; Modelisation cinetique des reactions d`hydrotraitement par regroupement en familles chimiques

    Energy Technology Data Exchange (ETDEWEB)

    Bonnardot, J

    1998-11-19

    Hydro-treatment of petroleum shortcuts permits elimination of unwanted components in order to increase combustion in engine and to decrease atmospheric pollution. Hydro-desulfurization (HDS), Hydro-denitrogenation (HDN) and Hydrogenation of aromatics (HDA) of a LCO (Light Cycle Oil)-Type gas oil have been studied using a new pilot at a fixed temperature with a NiMo/Al{sub 2}O{sub 3} catalyst. A hydrodynamic study showed that reactions occurring in the up-flow fixed bed reactor that has been used during the experiments, were governed exclusively by chemical reaction rates and not by diffusion. Through detailed chemical analysis, height chemical groups have been considered: three aromatics groups, one sulfided group, one nitrogenized and NH{sub 3}, H{sub 2}S, H{sub 2}. Two Langmuir-Hinshelwood-type kinetic models with either one or two types of sites have been established. The model with two types of site - one site of hydrogenation and one site of hydrogenolysis - showed a better fit in the modeling of the experimental results. This model enables to forecast the influence of partial pressure of H{sub 2}S and partial pressure of H{sub 2} on hydro-treatment reactions of a LCO-type gas oil. (author) 119 refs.

  1. Analysis of ping-pong reaction mechanisms by positional isotope exchange. Application to galactose-1-phosphate uridyltransferase

    International Nuclear Information System (INIS)

    Hester, L.S.; Raushel, F.M.

    1987-01-01

    A new positional isotope exchange method has been developed that can be used for the analysis of enzyme-catalyzed reactions which have ping-pong kinetic mechanisms. The technique can be used to measure the relative rates of ligand dissociation from enzyme-product complexes. Enzyme is incubated with the labeled substrate and an excess of the corresponding unlabeled product. The partitioning of the enzyme-product complex back toward free enzyme is determined from the rate of positional isotope exchange within the original labeled substrate. The partitioning of the enzyme-product complex forward toward free enzyme is determined from the rate of formation of totally unlabeled substrate. It has been shown that the ratio of the two rates provides a lower limit for the release of product from the enzyme-product complex. The technique has been applied to the reaction catalyzed by galactose-1-phosphate uridyltransferase. The lower limit for the release of glucose 1-phosphate from the uridyl-enzyme relative to the maximal velocity of the reverse reaction was determined to be 3.4 +/- 0.5

  2. Analysis of n+165Ho and 169Tm reactions

    International Nuclear Information System (INIS)

    Young, P.G.; Arthur, E.D.; Philis, C.; Nagel, P.; Collin, M.

    1982-09-01

    Experimental data for neutron-induced reactions on 165 Ho and 169 Tm have been theoretically analyzed in preparation for calculations on the unstable isotopes of Tm. A set of deformed optical model parameters was determined from measurements of s- and p-wave neutron strength functions, total cross sections, elastic angular distributions, and 16-MeV proton scattering to the 165 Ho ground and first excited states. The parameters for the 165 Ho and 169 Tm nuclei were linked by means of an isospin term in the real and imaginary well depths, together with adjustment of the ν 2 and ν 4 deformation parameters based on systematics in this mass region. Transmission coefficients from this analysis were used in Hauser-Feshbach statistical model calculations of the 169 Tm(n,ν) cross section as well as the 169 Tm(n,2n) and (n,3n) cross sections to 23 MeV, after application of suitable preequilibrium corrections. The results of these calculations are in good agreement with most of the available experimental data on 165 Ho and 169 Tm

  3. Theoretical Study on the Aza-Diels-Alder Reaction Catalyzed by PHCl2 Lewis Acid via Pnicogen Bonding.

    Science.gov (United States)

    Yaghoobi, Fereshteh; Sohrabi Mahboub, Mahdi

    2018-03-15

    The reaction mechanism of the Aza-Diels-Alder (A-D-A) cycloaddition reaction between X 2 C═NNH 2 , where X = H, F, Cl, Br, and 1,3-butadiene catalyzed by a PHCl 2 Lewis acid was characterized using density functional theory calculations. The influences of various substituents of X on the studied reaction were analyzed using the activation strain model (ASM), which is also termed as the distortion-interaction model. Calculations showed that the smallest and largest values of the activation energies belong to the substituents of F and Br, respectively. The activation energy of the studied reactions was decreased within 8.6 kcal·mol -1 in the presence of PHCl 2 catalyst. Investigations showed that the pnicogen bonding is adequately capable of activating the A-D-A reaction. The quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analysis were implemented to understand the nature of C 4,Cbut ···C XIm and C 1,Cbut ···N XIm bonds at the TS structures. Additionally, the energy decomposition analysis (EDA) based on the ETS-NOCV scheme was used to characterize the nature of C 4,Cbut ···C XIm and C 1,Cbut ···N XIm bond. The results of the study mirror the fact that the PHCl 2 Lewis acid may be suggested as a simple suitable catalyst for experimental studies on the A-D-A reactions.

  4. A sustainable process to utilize ferrous sulfate waste from titanium oxide industry by reductive decomposition reaction with pyrite

    International Nuclear Information System (INIS)

    Huang, Penghui; Deng, Shaogang; Zhang, Zhiye; Wang, Xinlong; Chen, Xiaodong; Yang, Xiushan; Yang, Lin

    2015-01-01

    Highlights: • A newly developed treating process of ferrous sulfate was proposed. • The reaction process was discussed by thermodynamic analysis. • Thermodynamic analysis was compared with experiments results. • The kinetic model of the decomposition reaction was determined. • The reaction mechanism of autocatalytic reactions was explored. - Abstract: Ferrous sulfate waste has become a bottleneck in the sustainable development of the titanium dioxide industry in China. In this study, we propose a new method for the reductive decomposition of ferrous sulfate waste using pyrite. Thermodynamics analysis, tubular reactor experiments, and kinetics analysis were performed to analyze the reaction process. The results of the thermodynamic simulation showed that the reaction process and products were different when molar ratio of FeSO_4/FeS_2 was changed. The suitable molar ratio of FeSO_4/FeS_2 was 8–12. The reaction temperature of ferrous sulfate with pyrite was 580–770 K and the main products were Fe_3O_4 and SO_2. The simulation results agreed well with the experimental results. The desulphurization rate reached 98.55% and main solid products were Fe_3O_4 at 823.15 K when mole ratio of FeSO_4/FeS_2 was 8. Nano-sized magnetite was obtained at this condition. The kinetic model was investigated by isoconversional methods. The average E value was 244.34 kJ mol"−"1. The ferrous sulfate decomposition process can be treated as autocatalytic reaction mechanism, which corresponded to the expanded Prout–Tompson (Bna) model. The reaction mechanism of autocatalytic reactions during the process of ferrous sulfate decomposition were explored, the products of Fe oxide substances are the catalyst components.

  5. Measurement and analysis of the reaction π-p→π-π+n at 63 GeV incident momentum

    International Nuclear Information System (INIS)

    Peters, S.C.A.

    1980-01-01

    The measurement and analysis of the reaction π - p→π - π + n at 63.2 GeV incident momentum is described. The aim of the experiment was to measure the s-dependence of the production mechanism and to search for high spin resonances in the ππ system. (Auth.)

  6. Automatic NMR-based identification of chemical reaction types in mixtures of co-occurring reactions.

    Science.gov (United States)

    Latino, Diogo A R S; Aires-de-Sousa, João

    2014-01-01

    The combination of chemoinformatics approaches with NMR techniques and the increasing availability of data allow the resolution of problems far beyond the original application of NMR in structure elucidation/verification. The diversity of applications can range from process monitoring, metabolic profiling, authentication of products, to quality control. An application related to the automatic analysis of complex mixtures concerns mixtures of chemical reactions. We encoded mixtures of chemical reactions with the difference between the (1)H NMR spectra of the products and the reactants. All the signals arising from all the reactants of the co-occurring reactions were taken together (a simulated spectrum of the mixture of reactants) and the same was done for products. The difference spectrum is taken as the representation of the mixture of chemical reactions. A data set of 181 chemical reactions was used, each reaction manually assigned to one of 6 types. From this dataset, we simulated mixtures where two reactions of different types would occur simultaneously. Automatic learning methods were trained to classify the reactions occurring in a mixture from the (1)H NMR-based descriptor of the mixture. Unsupervised learning methods (self-organizing maps) produced a reasonable clustering of the mixtures by reaction type, and allowed the correct classification of 80% and 63% of the mixtures in two independent test sets of different similarity to the training set. With random forests (RF), the percentage of correct classifications was increased to 99% and 80% for the same test sets. The RF probability associated to the predictions yielded a robust indication of their reliability. This study demonstrates the possibility of applying machine learning methods to automatically identify types of co-occurring chemical reactions from NMR data. Using no explicit structural information about the reactions participants, reaction elucidation is performed without structure elucidation of

  7. Automatic NMR-based identification of chemical reaction types in mixtures of co-occurring reactions.

    Directory of Open Access Journals (Sweden)

    Diogo A R S Latino

    Full Text Available The combination of chemoinformatics approaches with NMR techniques and the increasing availability of data allow the resolution of problems far beyond the original application of NMR in structure elucidation/verification. The diversity of applications can range from process monitoring, metabolic profiling, authentication of products, to quality control. An application related to the automatic analysis of complex mixtures concerns mixtures of chemical reactions. We encoded mixtures of chemical reactions with the difference between the (1H NMR spectra of the products and the reactants. All the signals arising from all the reactants of the co-occurring reactions were taken together (a simulated spectrum of the mixture of reactants and the same was done for products. The difference spectrum is taken as the representation of the mixture of chemical reactions. A data set of 181 chemical reactions was used, each reaction manually assigned to one of 6 types. From this dataset, we simulated mixtures where two reactions of different types would occur simultaneously. Automatic learning methods were trained to classify the reactions occurring in a mixture from the (1H NMR-based descriptor of the mixture. Unsupervised learning methods (self-organizing maps produced a reasonable clustering of the mixtures by reaction type, and allowed the correct classification of 80% and 63% of the mixtures in two independent test sets of different similarity to the training set. With random forests (RF, the percentage of correct classifications was increased to 99% and 80% for the same test sets. The RF probability associated to the predictions yielded a robust indication of their reliability. This study demonstrates the possibility of applying machine learning methods to automatically identify types of co-occurring chemical reactions from NMR data. Using no explicit structural information about the reactions participants, reaction elucidation is performed without structure

  8. Constant rate thermal analysis of a dehydrogenation reaction

    Czech Academy of Sciences Publication Activity Database

    Perejon, A.; Perez-Maqueda, L. A.; Sanchez-Jimenez, P.E.; Criado, J. M.; Murafa, Nataliya; Šubrt, Jan

    2016-01-01

    Roč. 6, č. 84 (2016), s. 81454-81460 ISSN 2046-2069 Institutional support: RVO:61388980 Keywords : solid-state reaction s * hydrogen storage properties * milled magnesium hydride Subject RIV: CA - Inorganic Chemistry Impact factor: 3.108, year: 2016

  9. Analysis of the spallation residues and the associated particles in the reaction Fe+p at 1 GeV per nucleon

    International Nuclear Information System (INIS)

    Le Gentil, E.

    2006-09-01

    SPALADIN is a new type of spallation experiment that has been carried out at the GSI accelerator facility (Germany) in order to improve the modelling of the spallation reaction. This experiment is based on the coincidence measurement in inverse kinematics of the spallation residues and the de-excitation fragments. This work presents the analysis of Fe 56 + p reaction at 1 GeV per nucleon. Results on cross-sections and heavy residue velocity spectra are compared to previous data and enabled us to characterize the setup. Most of the element production cross-sections have been obtained with an uncertainty below 10 per cent. In the particular case of helium, its production cross-section has been measured to be σ(1 GeV) = (598 ± 67) mb. The knowledge of this cross-section is important to assess the irradiation damage undergone by the window separating the accelerator from the target. The study of the de-excitation of the pre-fragment shows that the evaporation of light particles (Z ≤ 2) is the main way of de-excitation whatever the collision centrality. However, the de-excitation through the emission of intermediate mass fragments is observed in 5% of the events and most of these events correspond to a very asymmetric binary breaking. The velocity distributions of light residues (with regards to the mass of the projectile) show a significant disagreement with the average velocities predicted by spallation codes. (A.C.)

  10. Study of the He3 breakup reaction and the triton production spectra at 283 MeV

    International Nuclear Information System (INIS)

    Hussain Obid, R.

    1988-01-01

    The breakup of He3 ions at 94MeV/nucleon was studied in inclusive experiments on nuclei ranging from C12 to Pb208, and in coincidence experiments (γd) and (γt) on an A127 target. The inclusive spectra of protons and deuterons show an important contribution of the He3 breakup reaction to the reaction cross section (80%). Analysis of the dependence as a function of A confirms a peripheral mechanism. The coincidence experiment gives a proportion of inelastic breakup in the inclusive cross section of 40 %. Examination of triton spectra reveals that at 94 MeV the dominant reaction is not breakup transfer as at lower energies, but charge exchange. The spectra peak at energies of 20MeV, compatible with the excitation of a mixture of L=1 and L=2 states. The variation of the cross section following an A 1/3 law indicates a peripheral mechanism for the (He3,t) reaction too. The (γ-t) coincidence reaction showing residual nucleus production near the target nucleus reinforces this result [fr

  11. Sequential charged particle reaction

    International Nuclear Information System (INIS)

    Hori, Jun-ichi; Ochiai, Kentaro; Sato, Satoshi; Yamauchi, Michinori; Nishitani, Takeo

    2004-01-01

    The effective cross sections for producing the sequential reaction products in F82H, pure vanadium and LiF with respect to the 14.9-MeV neutron were obtained and compared with the estimation ones. Since the sequential reactions depend on the secondary charged particles behavior, the effective cross sections are corresponding to the target nuclei and the material composition. The effective cross sections were also estimated by using the EAF-libraries and compared with the experimental ones. There were large discrepancies between estimated and experimental values. Additionally, we showed the contribution of the sequential reaction on the induced activity and dose rate in the boundary region with water. From the present study, it has been clarified that the sequential reactions are of great importance to evaluate the dose rates around the surface of cooling pipe and the activated corrosion products. (author)

  12. FINANCIAL MARKET REACTIONS TO INTERNATIONAL MERGERS & ACQUISITIONS IN THE BREWING INDUSTRY: AN EVENT STUDY ANALYSIS

    OpenAIRE

    Heyder, Matthias; Ebneth, Oliver; Theuvsen, Ludwig

    2008-01-01

    Cross-border acquisitions have been the growing trend in recent years in the world brewing industry, giving brewers the opportunity to enhance their degree of internationalization and market share remarkably. This study employs event study analysis to examine 31 mergers and acquisitions among leading European brewing groups. Differences regarding financial market reactions can be determined within the European peer group. Managerial implications as well as future research propositions conclud...

  13. Laboratory investigations of the alpha-pinene/ozone gas-phase reaction

    International Nuclear Information System (INIS)

    Benner, C.L.

    1985-01-01

    In order to provide more insight into terpene photooxidation or ozonolysis reaction mechanisms, a radiotracer technique was developed. This technique was applied to an investigation of the 14 C-alpha-pinene/ozone reaction. In the first phase of the research, the carbon distribution at the conclusion of the ozonolysis reaction was determined by separating carbon-14-labelled gaseous products from labelled aerosols, and counting each phase by liquid scintillation methods. The resulting carbon balance was 38% to 60% filtered aerosols, 6% to 20% gas phase compounds, and 11% to 29% products absorbed on the reaction chamber walls. Recoveries of the alpha-pinene carbon-14 ranging from 79% to 97% were achieved using this method. The alpha-pinene concentrations in these experiments were close to ambient (1 part per billion), yet the carbon balance was similar to that observed at much higher concentrations (>1 part per million). In the second phase of the alpha-pinene study, both gas and aerosol products of the ozonolysis reaction were collected on cartridges impregnated with 2,4-dinitrophenylhydrazine, then analyzed by HPLC. In the final experiments, alpha-pinene aerosol was reacted with a silylating agent to improve the detection of organic acids and alcohols. The gas chromatographic/mass spectrometric analysis of the silylated aerosol products showed evidence of dimer/polymer formation occurring in the ozonolysis reaction

  14. The importance of the toxicological analysis in newborns: clearing the case of a tetralogy of Fallot with a paradoxical reaction to 1-hydroxymidazolam

    Directory of Open Access Journals (Sweden)

    Cristiano Ialongo

    2016-01-01

    Full Text Available Short half-life benzodiazepines like midazolam are used as premedication to relieve intra-partum pain, and are known to have no adverse effects to the newborn. However, such short-acting drugs are known to induce paradoxical reactions when their concentration is abnormally elevated respect to the age of the subject. In a 1 day-old newborn, admitted to the Cardiology Unit of the “Bambino Gesù” Children Hospital of Rome due to a prenatal diagnosis of tetralogy of Fallot, a paradoxical reaction with a spontaneous resolution was observed. The analysis of urines, performed by gas chromatography/mass spectrometry after a drug screening, showed the presence of the active metabolite 1-hydroxymidazolam at 9.7 µg/mL with no detectable trace of its precursor midazolam and of the alternative metabolite 4-hydroxymidazolam. On the basis of these evidences, we speculated that 1-hydroxymidazolam, produced by the mother’s liver enzymes, passed to the newborn whose reduced volume of distribution (for the shunted circulation favoured the onset of such a reaction. Hence, the toxicological approach should be carried out on both mother and child wherever the clinical picture may appear unexplainable or does not match with the other findings collected.

  15. 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.

  16. Analysis of the reaction γp → K{sup 0}Σ{sup +} by the identification of the charged K* decay channel at the BGO-OD experiment using kinematic fitting

    Energy Technology Data Exchange (ETDEWEB)

    Reitz, Bjoern-Eric [Physikalisches Institut Bonn (Germany); Collaboration: BGO-OD-Collaboration

    2016-07-01

    The BGO-OD experiment at the ELSA facility in Bonn is built to investigate nucleon excitations via meson photoproduction. A program of measurements of reactions of associated strangeness in the final state has begun, one of which is γp → K{sup 0}Σ{sup +}. One research objective is associated production of strange particles. An interesting reaction channel is γp → K{sup 0}Σ{sup +}. This talk shows the preliminary results of the analysis for the charged decay channel K{sup 0}Σ{sup +} → π{sup -}π{sup +}π{sup 0}p. Due to the small production cross section kinematic fitting has been used to discriminate the wanted channel against background.

  17. Vibratory Reaction Unit for the Rapid Analysis of Proteins and Glycochains

    Directory of Open Access Journals (Sweden)

    Yukie Sasakura

    2007-01-01

    Full Text Available A protein digestion system using immobilized enzymes for protein identification and glycochain analyses has been developed, and a vibration reaction unit for micro-scale sample convection on an enzyme-immobilized solid surface was constructed. BSA as a model substrate was digested by this unit, and was successfully identified by mass spectrometry (MS analyses. Compared to the conventional liquid-phase digestion, the reaction unit increased the number of matched peptides from 9 to 26, protein score from 455 to 1247, and sequence coverage from 21% to 48%. Glycopeptidase F (NGF, an enzyme that cleaves N-glycans from glycoproteins, was also immobilized and used to remove the glycochains from human immunoglobulin G (IgG. Trypsin and NGF were immobilized on the same solid surface and used to remove glycochains from IgG in single-step. Glycochains were labeled with fluorescent reagent and analyzed by HPLC. Several peaks corresponding to the glycochains of IgG were detected. These results suggested that the single-step digestion system, by immobilized multiple enzymes (trypsin and NGF would be effective for the rapid structural analysis of glycoproteins.Abbreviations: BSA: bovine serum albumin; MS: mass spectrometry; NGF: glycopeptidase F; IgG: immunoglobulin G; PTM: post-translational modification; HPLC: high-performance liquid chromatography; PBS: phosphate-buffered saline; EDTA: ethylenediaminetetraacetic acid; DTT: dithiothreitol; RT: retention time; ABOE: p-aminobenzoic acid octyl ester; PDMS: polydimethylsiloxane; ArgC: endoprotease Arginine C.

  18. Multipole decomposition analysis of the 27Al, 90Zr, 208Pb(p, n) reactions at 295 MeV

    International Nuclear Information System (INIS)

    Wakasa, T.; Greenfield, M.B.; Koori, N.; Okihana, A.; Hatanaka, K.

    1996-01-01

    Differential cross sections at θ lab between 0 and 15 and the polarization transfer D NN at zero degrees for the 27 Al, 90 Zr, 208 Pb(p,n) reactions are measured at a bombarding energy of 295 MeV. A multipole decomposition (MD) technique is applied to extract L=0, L=1, and L≥2 contributions to the cross sections. The summed Gamow-Teller strength B(GT) is compared with shell-model calculations for the 27 Al(p,n) and 90 Zr(p,n) reactions. The usefulness of the polarization transfer observable in the MD analysis is discussed. (orig.)

  19. Study on reaction mechanism by analysis of kinetic energy spectra of light particles and formation of final products

    Science.gov (United States)

    Giardina, G.; Mandaglio, G.; Nasirov, A. K.; Anastasi, A.; Curciarello, F.; Fazio, G.

    2018-05-01

    The sensitivity of reaction mechanism in the formation of compound nucleus (CN) by the analysis of kinetic energy spectra of light particles and of reaction products are shown. The dependence of the P CN fusion probability of reactants and W sur survival probability of CN against fission at its deexcitation on the mass and charge symmetries in the entrance channel of heavy-ion collisions, as well as on the neutron numbers is discussed. The possibility of conducting a complex program of investigations of the complete fusion by reliable ways depends on the detailed and refined methods of experimental and theoretical analyses.

  20. Effective dynamics along given reaction coordinates, and reaction rate theory.

    Science.gov (United States)

    Zhang, Wei; Hartmann, Carsten; Schütte, Christof

    2016-12-22

    In molecular dynamics and related fields one considers dynamical descriptions of complex systems in full (atomic) detail. In order to reduce the overwhelming complexity of realistic systems (high dimension, large timescale spread, limited computational resources) the projection of the full dynamics onto some reaction coordinates is examined in order to extract statistical information like free energies or reaction rates. In this context, the effective dynamics that is induced by the full dynamics on the reaction coordinate space has attracted considerable attention in the literature. In this article, we contribute to this discussion: we first show that if we start with an ergodic diffusion process whose invariant measure is unique then these properties are inherited by the effective dynamics. Then, we give equations for the effective dynamics, discuss whether the dominant timescales and reaction rates inferred from the effective dynamics are accurate approximations of such quantities for the full dynamics, and compare our findings to results from approaches like Mori-Zwanzig, averaging, or homogenization. Finally, by discussing the algorithmic realization of the effective dynamics, we demonstrate that recent algorithmic techniques like the "equation-free" approach and the "heterogeneous multiscale method" can be seen as special cases of our approach.

  1. Unimolecular and collisionally induced ion reactions

    International Nuclear Information System (INIS)

    Beynon, J.H.; Boyd, R.K.

    1978-01-01

    The subject is reviewed under the following headings: introduction (mass spectroscopy and the study of fragmentation reactions of gaseous positive ions); techniques and methods (ion sources, detection systems, analysis of ions, data reduction); collision-induced reactions of ions and unimolecular fragmentations of metastable ions; applications (ion structure, energetic measurements, analytical applications, other applications). 305 references. (U.K.)

  2. Simultaneous Nuclear Reaction Analysis of Boron and Phosphorus in Thin Borophosphosilicate Glass Films Using (α,p) Reactions

    International Nuclear Information System (INIS)

    Walsh, D.S.; Doyle, B.L.

    1999-01-01

    A method combining (α,p) NRA and ellipsometry has been developed for measuring the Boron and Phosphorus content of borophosphosilicate glass (BPSG) used for interlevel dielectrics in integrated circuits. Yields from the 31 P(α,p 0 ) 34 S (Q = 0.63 MeV) and 10 B(α,p 0 ) 13 C (Q = 4.06 MeV) reactions are coupled with ellipsometry thickness measurements to calculate the average atomic percent of B and P in the film. Due to the relatively low Q value of the 31 P(α,p 0 ) 34 S reaction and the thickness range of the glass films (le 1.2 micrometers) they analyze, fairly high energy alpha particles, and Mylar range foils on the detector are required. Alpha energy, detector angle and range foil thickness were determined by reaction yields and the need to separate the yield peaks of interest from competing (α,p) reactions and backscattered alphas. They have determined that 6.0 MeV incident alphas with a detector angle of 135degree and about 100 micrometers of Mylar range foil are optimum for the system. The yield for the 10 B(α,p 0 ) 13 C reaction is quite constant in the energy range of interest (approximately 5.8 to 6 MeV) but the yield for the 31 P(α,p 0 ) 34 S is not. Consequently, a simple conversion from standard BPSG reference samples (independently quantified by ICP mass spectrometry) is adequate to calculate a film's %B content. The %P calculation is more complex, involving a three-dimensional fit of the P yield data and measured film thickness to the film %P content. This fit is based upon yield data from a matrix of standard film samples. The technique is sensitive to 0.1% with an accuracy of ±3 to ±10% depending on the sample. This measurement method is used routinely at Sandia National Laboratories in support of their fabrication process lines

  3. Reaction list for charged-particle-induced nuclear reactions: Z = 1 to Z = 98 (H to Cf), July 1973--September 1974

    International Nuclear Information System (INIS)

    McGowan, F.K.; Milner, W.T.

    1975-01-01

    This Reaction List for charged-particle-induced nuclear reactions has been prepared from the journal literature for the period from July 1973 through September 1974. Each published experimental paper is listed under the target nucleus in the nuclear reaction with a brief statement of the type of data in the paper. The nuclear reaction is denoted by A(a,b)B, where the mass of a is greater than or equal to (one nucleon mass). There is no restriction on energy. Nuclear reactions involving mesons in the outgoing channel are not included. Theoretical papers which treat directly with the analysis of nuclear reaction data and results are included in the Reaction List. The cutoff date for literature was September 30, 1974. (U.S.)

  4. Nondestructive analysis of alkali-silica reaction damage in concrete slabs using shear waves

    Science.gov (United States)

    Khazanovich, Lev; Freeseman, Katelyn; Salles, Lucio; Clayton, Dwight

    2018-04-01

    Alkali-silica reaction (ASR) is the chemical reaction that occurs in concrete. It is caused by the interaction of alkalis in Portland cement and silica in aggregates and results in microcracks within the material. This type of damage has been the focus of nondestructive evaluation efforts in recent history, but no work was done on in-situ structures or large-scale samples. To address these limitations, an ultrasonic linear array device, MIRA, was utilized for this research. An experimental investigation was performed on four slabs with various levels of alkali-silica reaction at the Electric Power Research Institute (EPRI) [1]. One-period impulses with a target of 50kHz center frequency were selected in this study. We propose the use of the Hilbert Transform Indicator (HTI) for quantification of ASR damage [2]. A higher HTI value would be indicative of damaged concrete, while a low value represents sound concrete. In general, values below 90 are regarded as an indicator of sound concrete while values above 100 indicate the presence of damage [3]. The ability of the HTI values to distinguish between areas of damaged concrete was evident via the production of color intensity maps. The maps show that the control specimen, was in good condition, while other slabs exhibited higher levels of damage as indicated by the HTI values. It should be noted that extreme damage conditions were not present in any of the slabs. Evaluation of migration-based reconstructions can give a qualitative characterization of large scale or excessive subsurface damage. However, for detection of stochastic damage mechanisms such as freeze-thaw damage, evaluation of the individual time-history data can provide additional information. A comparison of the spatially diverse measurements on several concrete slabs with varying freeze-thaw damage levels is given in this study. Signal characterization scans of different levels of freeze-thaw damage at various transducer spacing is investigated. The

  5. Chemical interesterification of soybean oil and fully hydrogenated soybean oil: Influence of the reaction time

    International Nuclear Information System (INIS)

    Ribeiro, Ana Paula Badan; Masuchi, Monise Helen; Grimaldi, Renato; Goncalves, Lireny Aparecida Guaraldo

    2009-01-01

    Chemical interesterification is an important alternative to produce zero trans fats. In practice, however, excessive reaction times are used to ensure complete randomization. This work evaluated the influence of the reaction time on the interesterification of soybean oil/fully hydrogenated soybean oil blend, carried out in the following conditions: 100 deg C, 500 rpm stirring speed, 0.4% (w/w) sodium methoxide catalyst. The triacylglycerol composition, solid fat content and melting point analysis showed that the reaction was very fast, reaching the equilibrium within 5 min. This result suggests the interesterification can be performed in substantially lower times, with reduction in process costs. (author)

  6. Impact of Cattaneo-Christov Heat Flux in Jeffrey Fluid Flow with Homogeneous-Heterogeneous Reactions.

    Directory of Open Access Journals (Sweden)

    Tasawar Hayat

    Full Text Available Two-dimensional stretched flow of Jeffrey fluid in view of Cattaneo-Christov heat flux is addressed. Effects of homogeneous-heterogeneous reactions are also considered. Suitable transformations are used to form ordinary differential equations. Convergent series solutions are computed. Impact of significant parameters on the velocity, temperature, concentration and skin friction coefficient is addressed. Analysis of thermal relaxation is made. The obtained results show that ratio of relaxation to retardation times and Deborah number have inverse relation for velocity profile. Temperature distribution has decreasing behavior for Prandtl number and thermal relaxation time. Also concentration decreases for larger values of strength of homogeneous reaction parameter while it increases for strength of heterogeneous reaction parameter.

  7. Impact of Cattaneo-Christov Heat Flux in Jeffrey Fluid Flow with Homogeneous-Heterogeneous Reactions.

    Science.gov (United States)

    Hayat, Tasawar; Qayyum, Sumaira; Imtiaz, Maria; Alsaedi, Ahmed

    2016-01-01

    Two-dimensional stretched flow of Jeffrey fluid in view of Cattaneo-Christov heat flux is addressed. Effects of homogeneous-heterogeneous reactions are also considered. Suitable transformations are used to form ordinary differential equations. Convergent series solutions are computed. Impact of significant parameters on the velocity, temperature, concentration and skin friction coefficient is addressed. Analysis of thermal relaxation is made. The obtained results show that ratio of relaxation to retardation times and Deborah number have inverse relation for velocity profile. Temperature distribution has decreasing behavior for Prandtl number and thermal relaxation time. Also concentration decreases for larger values of strength of homogeneous reaction parameter while it increases for strength of heterogeneous reaction parameter.

  8. Compilation and R-matrix analysis of Big Bang nuclear reaction rates

    International Nuclear Information System (INIS)

    Descouvemont, Pierre; Adahchour, Abderrahim; Angulo, Carmen; Coc, Alain; Vangioni-Flam, Elisabeth

    2004-01-01

    We use the R-matrix theory to fit low-energy data on nuclear reactions involved in Big Bang nucleosynthesis. Special attention is paid to the rate uncertainties which are evaluated on statistical grounds. We provide S factors and reaction rates in tabular and graphical formats

  9. Kinematic relations in heavy-ion reactions

    International Nuclear Information System (INIS)

    Gippner, P.; Kalpakchieva, R.

    1988-01-01

    The present work gives a short overview of the non-relativistic kinematics of nuclear reactions derived on the basis of the conservation laws of energy and linear momentum. Section 2 contains kinematic relations valid for two-body reactions, sections 3 makes use of these relations to describe sequential fission as a special case of reactions with three particles in the exit channel. It is the aim of this work to comprise the kinematic formulae essential for planning of experiments, data analysis and critical examination of the obtained results. (author)

  10. 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.

  11. Nanoscale studies of cement chemistry with {sup 15}N resonance reaction analysis

    Energy Technology Data Exchange (ETDEWEB)

    Schweitzer, Jeffrey S. [University of Connecticut, Department of Physics, Unit 3046, Storrs, CT 06269-3046 (United States)]. E-mail: schweitz@phys.uconn.edu; Livingston, Richard A. [Federal Highway Administration, HRDI-05, 6300 Georgetown Pike McLean, VA 22101 (United States); Rolfs, Claus [Institut fuer Physik mit Ionenstrahlen, Ruhr-Universitaet, Bochum Universitaetsstr. 150, Gebaeude NB 3, 44780 Bochum (Germany); Becker, Hans-Werner [Institut fuer Physik mit Ionenstrahlen, Ruhr-Universitaet, Bochum Universitaetsstr. 150, Gebaeude NB 3, 44780 Bochum (Germany); Kubsky, Stefan [Institut fuer Physik mit Ionenstrahlen, Ruhr-Universitaet, Bochum Universitaetsstr. 150, Gebaeude NB 3, 44780 Bochum (Germany); Spillane, Timothy [University of Connecticut, Department of Physics, Unit 3046, Storrs, CT 06269-3046 (United States); Castellote, Marta [Institute of Construction Science ' Eduardo Torroja' (CSIC), Serrano Galvache no. 4, 28033 Madrid (Spain); Viedma, Paloma G. de [Institute of Construction Science ' Eduardo Torroja' (CSIC), Serrano Galvache no. 4, 28033 Madrid (Spain)

    2005-12-15

    Analyses of materials with ion beams have proven to be a valuable technique for describing the spatial distributions of specific elements in host materials. We have applied this technique using the {sup 15}N(p, {alpha}{gamma}){sup 12}C reaction to study the time dependence of the chemical reactions involved in the curing of cement. By using the Dynamitron Tandem accelerator at the Ruhr Universitaet, Bochum, Germany, we have been able to achieve a few nanometer spatial resolution at the surface of cement grains and to study the hydrogen distributions to a depth of about 2 {mu}m. By applying a technique for stopping the chemical reactions at arbitrary times, the time dependence of the chemical reactions involving specific components of cement can be investigated. In addition, the effects of additives on the chemical reactions have been studied, as have materials that are components of concrete.

  12. α -induced reactions on 115In: Cross section measurements and statistical model analysis

    Science.gov (United States)

    Kiss, G. G.; Szücs, T.; Mohr, P.; Török, Zs.; Huszánk, R.; Gyürky, Gy.; Fülöp, Zs.

    2018-05-01

    Background: α -nucleus optical potentials are basic ingredients of statistical model calculations used in nucleosynthesis simulations. While the nucleon+nucleus optical potential is fairly well known, for the α +nucleus optical potential several different parameter sets exist and large deviations, reaching sometimes even an order of magnitude, are found between the cross section predictions calculated using different parameter sets. Purpose: A measurement of the radiative α -capture and the α -induced reaction cross sections on the nucleus 115In at low energies allows a stringent test of statistical model predictions. Since experimental data are scarce in this mass region, this measurement can be an important input to test the global applicability of α +nucleus optical model potentials and further ingredients of the statistical model. Methods: The reaction cross sections were measured by means of the activation method. The produced activities were determined by off-line detection of the γ rays and characteristic x rays emitted during the electron capture decay of the produced Sb isotopes. The 115In(α ,γ )119Sb and 115In(α ,n )Sb118m reaction cross sections were measured between Ec .m .=8.83 and 15.58 MeV, and the 115In(α ,n )Sb118g reaction was studied between Ec .m .=11.10 and 15.58 MeV. The theoretical analysis was performed within the statistical model. Results: The simultaneous measurement of the (α ,γ ) and (α ,n ) cross sections allowed us to determine a best-fit combination of all parameters for the statistical model. The α +nucleus optical potential is identified as the most important input for the statistical model. The best fit is obtained for the new Atomki-V1 potential, and good reproduction of the experimental data is also achieved for the first version of the Demetriou potentials and the simple McFadden-Satchler potential. The nucleon optical potential, the γ -ray strength function, and the level density parametrization are also

  13. Analysis of Halogen-Mercury Reactions in Flue Gas

    Energy Technology Data Exchange (ETDEWEB)

    Paula Buitrago; Geoffrey Silcox; Constance Senior; Brydger Van Otten

    2010-01-01

    Oxidized mercury species may be formed in combustion systems through gas-phase reactions between elemental mercury and halogens, such as chorine or bromine. This study examines how bromine species affect mercury oxidation in the gas phase and examines the effects of mixtures of bromine and chlorine on extents of oxidation. Experiments were conducted in a bench-scale, laminar flow, methane-fired (300 W), quartz-lined reactor in which gas composition (HCl, HBr, NO{sub x}, SO{sub 2}) and temperature profile were varied. In the experiments, the post-combustion gases were quenched from flame temperatures to about 350 C, and then speciated mercury was measured using a wet conditioning system and continuous emissions monitor (CEM). Supporting kinetic calculations were performed and compared with measured levels of oxidation. A significant portion of this report is devoted to sample conditioning as part of the mercury analysis system. In combustion systems with significant amounts of Br{sub 2} in the flue gas, the impinger solutions used to speciate mercury may be biased and care must be taken in interpreting mercury oxidation results. The stannous chloride solution used in the CEM conditioning system to convert all mercury to total mercury did not provide complete conversion of oxidized mercury to elemental, when bromine was added to the combustion system, resulting in a low bias for the total mercury measurement. The use of a hydroxylamine hydrochloride and sodium hydroxide solution instead of stannous chloride showed a significant improvement in the measurement of total mercury. Bromine was shown to be much more effective in the post-flame, homogeneous oxidation of mercury than chlorine, on an equivalent molar basis. Addition of NO to the flame (up to 400 ppmv) had no impact on mercury oxidation by chlorine or bromine. Addition of SO{sub 2} had no effect on mercury oxidation by chlorine at SO{sub 2} concentrations below about 400 ppmv; some increase in mercury oxidation

  14. Representing Rate Equations for Enzyme-Catalyzed Reactions

    Science.gov (United States)

    Ault, Addison

    2011-01-01

    Rate equations for enzyme-catalyzed reactions are derived and presented in a way that makes it easier for the nonspecialist to see how the rate of an enzyme-catalyzed reaction depends upon kinetic constants and concentrations. This is done with distribution equations that show how the rate of the reaction depends upon the relative quantities of…

  15. An analysis of ZEEP reaction rate measurements using the iterative five group scheme of METHUSELAH I

    Energy Technology Data Exchange (ETDEWEB)

    Allen, F R; Askew, J R [Technical Assessments and Services Division, Atomic Energy Establishment, Winfrith, Dorchester, Dorset (United Kingdom)

    1964-02-15

    The five group iterative scheme of METHUSELAH I has been used to provide estimates of reaction rates for comparison with measurements in a number of loop experiments in ZEEP. Theory and experiment show good agreement for individual fission rate distributions and for the Pu-239/U-235 reaction rate ratios. Estimates of Lu/Mn ratios are in reasonable agreement with measurements in the H{sub 2}O cores, but become progressively less satisfactory as the D{sub 2}O content of the coolant is increased. It is concluded that for assessment calculations, the introduction of an iterative five group scheme improves the representation of thermal spectra in pressure tube reactor lattices. (author)

  16. An in-situ chemical reaction deposition of nanosized wurtzite CdS thin films

    International Nuclear Information System (INIS)

    Chu Juan; Jin Zhengguo; Cai Shu; Yang Jingxia; Hong Zhanglian

    2012-01-01

    Nanocrystalline CdS thin films were deposited on glass substrates by an ammonia-free in-situ chemical reaction synthesis technique using cadmium cationic precursor solid films as reaction source and sodium sulfide based solutions as anionic reaction medium. Effects of ethanolamine addition to the cadmium cationic precursor solid films, deposition cycle numbers and annealing treatments in Ar atmosphere on structure, morphology, chemical composition and optical properties of the resultant films were investigated by X-ray diffraction, field emission scanning electron microscope, energy dispersive X-ray analysis and UV–Vis spectra measurements. The results show that CdS thin films deposited by the in-situ chemical reaction synthesis have wurtzite structure with (002) plane preferential orientation and crystallite size is in the range of 16 nm–19 nm. The growth of film thickness is almost constant with deposition cycle numbers and about 96 nm per cycle.

  17. Fluorescence measurements show stronger cold inhibition of photosynthetic light reactions in Scots pine compared to Norway spruce as well as during spring compared to autumn.

    Science.gov (United States)

    Linkosalo, Tapio; Heikkinen, Juha; Pulkkinen, Pertti; Mäkipää, Raisa

    2014-01-01

    We studied the photosynthetic activity of Scots pine (Pinus sylvestris L.) and Norway spruce (Picea abies [L.] Karst) in relation to air temperature changes from March 2013 to February 2014. We measured the chlorophyll fluorescence of approximately 50 trees of each species growing in southern Finland. Fluorescence was measured 1-3 times per week. We began by measuring shoots present in late winter (i.e., March 2013) before including new shoots once they started to elongate in spring. By July, when the spring shoots had achieved similar fluorescence levels to the older ones, we proceeded to measure the new shoots only. We analyzed the data by fitting a sigmoidal model containing four parameters to link sliding averages of temperature and fluorescence. A parameter defining the temperature range over which predicted fluorescence increased most rapidly was the most informative with in describing temperature dependence of fluorescence. The model generated similar fluorescence patterns for both species, but differences were observed for critical temperature and needle age. Down regulation of the light reaction was stronger in spring than in autumn. Pine showed more conservative control of the photosynthetic light reactions, which were activated later in spring and more readily attenuated in autumn. Under the assumption of a close correlation of fluorescence and photosynthesis, spruce should therefore benefit more than pine from the increased photosynthetic potential during warmer springs, but be more likely to suffer frost damage with a sudden cooling following a warm period. The winter of 2013-2014 was unusually mild and similar to future conditions predicted by global climate models. During the mild winter, the activity of photosynthetic light reactions of both conifers, especially spruce, remained high. Because light levels during winter are too low for photosynthesis, this activity may translate to a net carbon loss due to respiration.

  18. Fluorescence measurements show stronger cold inhibition of photosynthetic light reactions in Scots pine compared to Norway spruce as well as during spring compared to autumn

    Directory of Open Access Journals (Sweden)

    Tapio eLinkosalo

    2014-06-01

    Full Text Available We studied the photosynthetic activity of Scots pine (Pinus sylvestris L. and Norway spruce (Picea abies [L.] Karst in relation to air temperature changes from March 2013 to February 2014. We measured the chlorophyll fluorescence of approximately 50 trees of each species growing in southern Finland. Fluorescence was measured 13 times per week. We began by measuring shoots present in late winter (i.e., March 2013 before including new shoots once they started to elongate in spring. By July, when the spring shoots had achieved similar fluorescence levels to the older ones, we proceeded to measure the new shoots only.We analysed the data by fitting a sigmoidal model containing four parameters to link sliding averages of temperature and fluorescence. A parameter defining the temperature range over which predicted fluorescence increased most rapidly was the most informative with in describing temperature dependence of fluorescence.The model generated similar fluorescence patterns for both species, but differences were observed for critical temperature and needle age. Down regulation of the light reaction was stronger in spring than in autumn. Pine showed more conservative control of the photosynthetic light reactions, which were activated later in spring and more readily attenuated in autumn. Under the assumption of a close correlation of fluorescence and photosynthesis, spruce should therefore benefit more than pine from the increased photosynthetic potential during warmer springs, but be more likely to suffer frost damage with a sudden cooling following a warm period. The winter of 20132014 was unusually mild and similar to future conditions predicted by global warming models. During the mild winter, the activity of photosynthetic light reactions of both conifers, especially spruce, remained high. Because light levels during winter are too low for photosynthesis, this activity may translate to a net carbon loss due to respiration.

  19. Real-time polymerase chain reaction for diagnosing infectious mononucleosis in pediatric patients: A systematic review and meta-analysis.

    Science.gov (United States)

    Jiang, Sha-Yi; Yang, Jing-Wei; Shao, Jing-Bo; Liao, Xue-Lian; Lu, Zheng-Hua; Jiang, Hui

    2016-05-01

    In this meta-analysis, we evaluated the diagnostic role of Epstein-Barr virus deoxyribonucleic acid detection and quantitation in the serum of pediatric and young adult patients with infectious mononucleosis. The primary outcome of this meta-analysis was the sensitivity and specificity of Epstein-Barr virus (EBV) deoxyribonucleic acid (DNA) detection and quantitation using polymerase chain reaction (PCR). A systematic review and meta-analysis was performed by searching for articles that were published through September 24, 2014 in the following databases: Medline, Cochrane, EMBASE, and Google Scholar. The following keywords were used for the search: "Epstein-Barr virus," "infectious mononucleosis," "children/young adults/infant/pediatric," and "polymerase chain reaction or PCR." Three were included in this analysis. We found that for detection by PCR, the pooled sensitivity for detecting EBV DNA was 77% (95%CI, 66-86%) and the pooled specificity for was 98% (95%CI, 93-100%). Our findings indicate that this PCR-based assay has high specificity and good sensitivity for detecting of EBV DNA, indicating it may useful for identifying patients with infectious mononucleosis. This assay may also be helpful to identify young athletic patients or highly physically active pediatric patients who are at risk for a splenic rupture due to acute infectious mononucleosis. © 2015 Wiley Periodicals, Inc.

  20. Gas-phase ion-molecule reactions and high-pressure mass spectrometer, 1

    International Nuclear Information System (INIS)

    Hiraoka, Kenzo

    1977-01-01

    The reasons for the fact that the research in gas-phase ion-molecule reactions, to which wide interest is shown, have greatly contributed to the physical and chemical fields are that, first it is essential in understanding general phenomena concerning ions, second, it can furnish many unique informations in the dynamics of chemical reactions, and third, usefulness of '' chemical ionization'' methods has been established as its application to chemical analysis. In this review, the history and trend of studies and equipments in gas-phase ion-molecule reactions are surveyed. The survey includes the chemical ionization mass spectrometer for simultaneously measuring the positive and negative ions utilizing a quadrupole mass spectrometer presented by Hunt and others, flowing afterglow method derived from the flowing method which traces neutral chemical species mainly optically, ion cyclotron resonance mass spectrometer, trapped ion mass spectrometer and others. Number of reports referred to ion-molecule reactions issued during the last one year well exceeds the total number of reports concerning mass spectrometers presented before 1955. This truly shows how active the research and development are in this field. (Wakatsuki, Y.)

  1. Quantitative detection and typing of hepatitis D virus in human serum by real-time polymerase chain reaction and melting curve analysis.

    Science.gov (United States)

    Hofmann, Joerg; Frenzel, Katrin; Minh, Bui Q; von Haeseler, Arndt; Edelmann, Anke; Ross, Stefan R; Berg, Thomas; Krüger, Detlev H; Meisel, Helga

    2010-06-01

    Hepatitis D virus (HDV) infection is an important etiologic agent of fulminant hepatitis and may aggravate the clinical course of chronic hepatitis B infection resulting in cirrhosis and liver failure. This report describes the establishment of a real-time reverse transcriptase polymerase chain reaction method that allows the quantitative detection of HDV-1 and HDV-3 with a sensitivity in a linear range of 2 x 10(3) to 10(8) copies/mL. Additionally, the new assay provides the opportunity to distinguish HDV-1 from HDV-3 by a subsequent melting curve analysis, an important option because these HDV types are highly associated with severe clinical outcome. The results of the melting curve analysis of 42 HDV sequences obtained in this study and the phylogenetic analysis based on 139 full-length sequences from GenBank were consistent and showed that all sequences described here cluster within the HDV-1 clade. Therefore, this assay is useful for monitoring of antiviral treatment and molecular epidemiologic studies of HDV distribution. Copyright 2010 Elsevier Inc. All rights reserved.

  2. Effect of reaction time and polyethylene glycol monooleate-isocyanate composition on the properties of polyurethane-polysiloxane modified epoxy

    Science.gov (United States)

    Triwulandari, Evi; Ramadhan, Mohammad Kemilau; Ghozali, Muhammad

    2017-11-01

    Polyurethane-polysiloxane modified epoxy based on polyethylene glycol monooleate (PSME-PEGMO) was synthesized. Polyethylene glycol monooleate (PEGMO) for the synthesis of PSME-GMO was synthesized via esterification between oleic acid and polyethylene glycol by using sodium hydroxide as catalyst. Synthesis of PSME-PEGMO was conducted by reacting epoxy, isocyanate, PEGMO, and polysiloxane (hydrolyzed and condensable 3-glycidyloxypropyltrimethoxysilane) simultaneously in one step. This synthesis was carried out by varied the reaction time (1, 2, 3 hours), PEGMO-isocyanate composition (PI composition: 10 and 20 % toward epoxy), and isocyanate/PEGMO ratio (NCO/OH ratio: 1.5 and 2.5). Characterization of PSME-PEGMO was conducted by determining the isocyanate conversion, viscosity analysis, mechanical properties (tensile strength and elongation at break) and thermal analysis using thermogravimetric analysis (TGA). The data show that the PI composition and NCO/OH ratio does not affect the isocyanate conversion linearly. The viscosity of PSME-PEGMO product at ratio and composition variation show has tended to increase with increasing of reaction time. The highest tensile strength and elongation at break PSME-PEGMO was shown by PI composition 20%, NCO/OH ratio 2.5 and reaction time 3 hours.

  3. Prediction of adverse drug reactions using decision tree modeling.

    Science.gov (United States)

    Hammann, F; Gutmann, H; Vogt, N; Helma, C; Drewe, J

    2010-07-01

    Drug safety is of great importance to public health. The detrimental effects of drugs not only limit their application but also cause suffering in individual patients and evoke distrust of pharmacotherapy. For the purpose of identifying drugs that could be suspected of causing adverse reactions, we present a structure-activity relationship analysis of adverse drug reactions (ADRs) in the central nervous system (CNS), liver, and kidney, and also of allergic reactions, for a broad variety of drugs (n = 507) from the Swiss drug registry. Using decision tree induction, a machine learning method, we determined the chemical, physical, and structural properties of compounds that predispose them to causing ADRs. The models had high predictive accuracies (78.9-90.2%) for allergic, renal, CNS, and hepatic ADRs. We show the feasibility of predicting complex end-organ effects using simple models that involve no expensive computations and that can be used (i) in the selection of the compound during the drug discovery stage, (ii) to understand how drugs interact with the target organ systems, and (iii) for generating alerts in postmarketing drug surveillance and pharmacovigilance.

  4. Experimental Study of Na based Titanium Nanofluid-Water Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Park, Gunyeop; Kim, Soo Jae; Baek, Jehyun; Kim, Hyun Soo; Oh, Sun Ryung; Park, Hyun Sun; Kim, Moo Hwan [POSTECH, Pohang (Korea, Republic of)

    2015-10-15

    In KALIMER-600, a sodium-cooled fast reactor designed by KAERI, thermal energy is transported from high-temperature liquid Na (526 .deg. C at 0.1 MPa) to low temperature water (230 .deg. C at - 19.5 MPa) through a heat exchanger. If any leakage or rupture occurs during the operation of this heat exchanger, highly pressurized liquid water can penetrate into the liquid Na channels; this contact should instantly cause SWR. As reaction continues, liquid water is soon vaporized by pressure drop and huge amount of reaction heat. This generated water vapor expands large reaction area and increases sodium-water vapor reaction process. Therefore, the rapid generation of reaction product (like H{sub 2}) and water vapor increases the system pressure that can cause the system failure in SFR. To reduce this strong chemical reaction phenomena between Na and water, some we have focused on suppressing the chemical reactivity of liquid Na by dispersing nanoparticles (NPs). For the real application of NaTiNF, the pressure change induced by NaTiNF-water reaction is compared with Na-water reaction in the present study. NaTiNF contains 100nm of Ti NPs at 0.2 vol. %. The reaction rate of NaTiNF-water reaction is also investigated as reaction temperature increases. Sodium-water vapor reaction (SVR) will occur when an SWR accident occurs in SFR. In this manner, NaTiNF-water vapor reaction is experimentally performed for ensuring the suppression of chemical reactivity of NaTiNF in contact with water vapor. In the basic step for reducing risk of an SWR in SFR, we have experimentally verified the suppressed chemical reactivity of liquid sodium using Ti NPs through SWR and SVR experiments. In SWR, Na based titanium nanofluid (NaTiNF) shows lower pressure change than Na. As T{sub R} increases, P{sub max} in Na-water reaction increases while NaTiNF does not. The reaction rate of NaTiNF shows twice slower than that of Na. In SVR, NaTiNF shows slower temperature increase than Na. The distinct

  5. Resonance search on πN reaction

    International Nuclear Information System (INIS)

    Sugahara, Ryuhei

    1974-01-01

    Present status of the study on resonance state is reviewed. Among various problems on the resonance state, the inelastic decay of baryon resonance and boson resonance are described in this paper. Experimental data on N → N eta with bubble chambers are few. An experimental results by using a counter shows enhancement around 1.8 GeV in the relation between cross section and energy. Some bubble chamber experiment also shows enhancement around 1.6 GeV. The spin and parity analyses for 1000 events are required. Data on N → Nω show enhancement at 1.76 GeV. The effective mass distribution on N → delta ++ (1236)π + π - shows enhancement around 2.0 GeV. Study on the boson resonance has been made, but still ambiguity remains. Effective mass distribution on the reaction π + d → pspπ + π - π 0 shows a peak of ω 1664 . The assignment of spin and parity by Matthews et al. is not in agreement with that by Kenyon et al. therefore confirmation by other experiment is necessary. A few experiment show peaks at 1.4 and 1.7 GeV in the effective mass distribution of (rho 0 rho 0 ) in the reaction anti pp → 3π + π - . Confirmation is also required. Deviation was found in the effective mass distribution of (ωπ + π - ) in anti pp → 3π + π - π 0 reaction, and ωπ + π - decay was seen in π + d → psp2π + 2π - π 0 reaction. (Kato, T.)

  6. Typewriting rate as a function of reaction time.

    Science.gov (United States)

    Hayes, V; Wilson, G D; Schafer, R L

    1977-12-01

    This study was designed to determine the relationship between reaction time and typewriting rate. Subjects were 24 typists ranging in age from 19 to 39 yr. Reaction times (.001 sec) to a light were recorded for each finger and to each alphabetic character and three punctuation marks. Analysis of variance yielded significant differences in reaction time among subjects and fingers. Correlation between typewriting rate and average reaction time to the alphabetic characters and three punctuation marks was --.75. Correlation between typewriting rate and the difference between the reaction time of the hands was --.42. Factors influencing typewriting rate may include reaction time of the fingers, difference between the reaction time of the hands, and reaction time to individual keys on the typewriter. Implications exist for instructional methodology and further research.

  7. Analysis of Protein Content in Rices Using Fast Neutron Reaction 14N(n,2 n) N13

    International Nuclear Information System (INIS)

    Sri-Sulamdari; Elin-Nuraini; Chotimah

    2000-01-01

    Protein content in rices such as IR 33 , Cisadane, and Rojolele has beendetermined using fast neutron activation analysis (FNAA). The existence ofprotein is characterized using E γ = 0.511 MeV from nuclear reaction 14 N (n,2 n) N 13 . Two methods of FNAA for quantification were used. Inabsolute method, the protein content was determined by measuring the neutronflux using Al foil, and in comparative additive method it was determined bycomparing to the known N standard which was additive to the samples. Theexperimental results show that the protein content in those rices ranges from(6.33 ± 0.05) % to (6.9 ± 0.11) % in weight. From the reference, thegrained rices contained 6.8 % in weight of protein. The value of the proteinstandard from the reference was in range of the experimental result. Howeverthere were still differences due to nuclear data stability of flux neutron,flux sample composition and the utilization of detector. (author)

  8. Magnetic field and magnetic isotope effects on photochemical reactions

    International Nuclear Information System (INIS)

    Wakasa, Masanobu

    1999-01-01

    By at present exact experiments and the theoretical analysis, it was clear that the magnetic field less than 2 T affected a radical pair reaction and biradical reaction. The radical pair life and the dissipative radical yield showed the magnetic field effects on chemical reactions. The radical pair mechanism and the triplet mechanism were known as the mechanism of magnetic field effects. The radical pair mechanism consists of four mechanisms such as the homogeneous hyperfine interaction (HFC), the delta-g mechanism, the relaxation mechanism and the level cross mechanism. In order to observe the magnetic effects of the radical pair mechanism, two conditions need, namely, the recombination rate of singlet radical pair > the dissipation rate and the spin exchange rate > the dissipation rate. A nanosecond laser photo-decomposition equipment can observe the magnetic field effects. The inversion phenomena of magnetic field effect, isolation of the relaxation mechanism and the delta-g mechanism, the magnetic field effect of heavy metal radical reaction, the magnetic field effect in homogeneous solvent, saturation of delta-g mechanism are explained. The succeeded examples of isotope concentration by the magnetic isotope effect are 17 O, 19 Si, 33 S, 73 Ge and 235 U. (S.Y.)

  9. Automatic analysis and reduction of reaction mechanisms for complex fuel combustion

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, Daniel

    2001-05-01

    general, detailed calculations of temperature, pressure, concentration and flame velocity show excellent agreement with measurements. Skeletal mechanisms for PRF were constructed for the SI engine case, reproducing autoignition well on removal of reactions pertaining to 15% of the species. QSSA reduction was tested on the staged combustor and the engines, using pure and weighted lifetime indices. Monitoring NO concentrations in the staged combustor and ignition timing in the engines, good reproduction is possible while approximating about 70% of the species. However, some species have to be manually retained for accuracy and numerical stability. For improved ranking, sensitivity was added to the index applied to the premixed flames, in addition to necessary molecular transport information. The maximum atomic mass fraction occupied by a certain molecular species was also constrained to limit the mass and energy deficiency caused by QSSA. For methane, the laminar flame velocities as well as concentration profiles are well predicted by the most strongly reduced mechanism with five global reaction steps. For the kerosene surrogate mechanism, QSSA involving 50% of the species was successfully attempted.

  10. Investigation of the (p,p'), (p,d) and (p,t) reactions on some light Sn isotopes

    International Nuclear Information System (INIS)

    Blankert, P.J.

    1979-01-01

    The results are presented of the 112 Sn(p,p') 112 Sn reaction. Apart from the usual distorted-wave analysis the excitation of some states is described in the coupled-channels formalism. The results of the 112 Sn(p,d) 111 Sn and the 112 Sn(p,t) 110 Sn reactions are also reported. From the (p,d) reaction quasi-particle energies and occupation numbers are determined. Two-step DWBA calculations are performed for some states that are assumed to result from the coupling of a quasiparticle to the 2 + 1 or 3 - 1 state of the even core. In the gross structure above 3 MeV of excitation, pickup strength from deeply-bound hole states is observed. The (p,t) reaction provided spin and parity of a number of levels in 110 Sn. A two-step DWBA analysis of the excitation of the ground state and first excited 2 + state shows the importance of second-order processes. The combined results of the (p,t) reactions on 112 Sn, 114 Sn and 116 Sn are given with some emphasis on the systematic features. The derivation is given of some expressions for spectroscopic amplitudes necessary in the two-step DWBA calculations for the (p,t) reactions. For all reactions a comparison is made with other existing data and with the results of model calculations. (Auth.)

  11. Kinetic analysis of the reactions of hypobromous acid with protein components

    DEFF Research Database (Denmark)

    Pattison, David I; Davies, Michael Jonathan

    2004-01-01

    available for HOBr. In this study, rate constants for reaction of HOBr with protein components have been determined. The second-order rate constants (22 degrees C, pH 7.4) for reaction with protein sites vary by 8 orders of magnitude and decrease in the order Cys > Trp approximately Met approximately His...

  12. Ene-ene-yne Reactions: Activation Strain Analysis and Role of Aromaticity

    NARCIS (Netherlands)

    Fernandez, I.; Bickelhaupt, F.M.; Cossío, F.P.

    2014-01-01

    The trend in reactivity of the thermal cycloisomerization reactions of 1,3-hexadien-5-ynes, A=B-C=D-E≡F, were explored and analyzed by using density functional theory at the M06-2X/def2-TZVPP level. These reactions proceed through formally aromatic transition states to form a bent-allene

  13. Product differentiation by analysis of DNA melting curves during the polymerase chain reaction.

    Science.gov (United States)

    Ririe, K M; Rasmussen, R P; Wittwer, C T

    1997-02-15

    A microvolume fluorometer integrated with a thermal cycler was used to acquire DNA melting curves during polymerase chain reaction by fluorescence monitoring of the double-stranded DNA specific dye SYBR Green I. Plotting fluorescence as a function of temperature as the thermal cycler heats through the dissociation temperature of the product gives a DNA melting curve. The shape and position of this DNA melting curve are functions of the GC/AT ratio, length, and sequence and can be used to differentiate amplification products separated by less than 2 degrees C in melting temperature. Desired products can be distinguished from undesirable products, in many cases eliminating the need for gel electrophoresis. Analysis of melting curves can extend the dynamic range of initial template quantification when amplification is monitored with double-stranded DNA specific dyes. Complete amplification and analysis of products can be performed in less than 15 min.

  14. Investigation of the aroma of commercial peach (Prunus persica L. Batsch) types by Proton Transfer Reaction-Mass Spectrometry (PTR-MS) and sensory analysis.

    Science.gov (United States)

    Bianchi, Tiago; Weesepoel, Yannick; Koot, Alex; Iglesias, Ignasi; Eduardo, Iban; Gratacós-Cubarsí, Marta; Guerrero, Luis; Hortós, Maria; van Ruth, Saskia

    2017-09-01

    The aim of this study was to investigate the aroma and sensory profiles of various types of peaches (Prunus persica L. Batsch.). Forty-three commercial cultivars comprising peaches, flat peaches, nectarines, and canning peaches (pavías) were grown over two consecutive harvest years. Fruits were assessed for chemical aroma and sensory profiles. Chemical aroma profile was obtained by proton transfer reaction-mass spectrometry (PTR-MS) and spectral masses were tentatively identified with PTR-Time of Flight-MS (PTR-Tof-MS). Sensory analysis was performed at commercial maturity considering seven aroma/flavor attributes. The four types of peaches showed both distinct chemical aroma and sensory profiles. Flat peaches and canning peaches showed most distinct patterns according to discriminant analysis. The sensory data were related to the volatile compounds by partial least square regression. γ-Hexalactone, γ-octalactone, hotrienol, acetic acid and ethyl acetate correlated positively, and benzeneacetaldehyde, trimethylbenzene and acetaldehyde negatively to the intensities of aroma and ripe fruit sensory scores. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. The Mechanical and Reaction Behavior of PTFE/Al/Fe2O3 under Impact and Quasi-Static Compression

    Directory of Open Access Journals (Sweden)

    Jun-yi Huang

    2017-01-01

    Full Text Available Quasi-static compression and drop-weight test were used to characterize the mechanical and reaction behavior of PTFE/Al/Fe2O3 composites. Two kinds of PTFE/Al/Fe2O3 composites were prepared with different mass of PTFE, and the reaction phenomenon and stress-strain curves were recorded; the residuals after reaction were analyzed by X-ray diffraction (XRD. The results showed that, under quasi-static compression condition, the strength of the materials is increased (from 37.1 Mpa to 77.2 Mpa with the increase of PTFE, and the reaction phenomenon occurred only in materials with high PTFE content. XRD analysis showed that the reaction between Al and Fe2O3 was not triggered with identical experimental conditions. In drop-weight tests, PTFE/Al/Fe2O3 specimens with low PTFE content were found to be more insensitive by high-speed photography, and a High Temperature Metal Slag Spray (HTMSS phenomenon was observed in both kinds of PTFE/Al/Fe2O3 composites, indicating the existence of thermite reaction, which was confirmed by XRD. In PTFE/Al/Fe2O3 system, the reaction between PTFE and Al precedes the reaction between Al and Fe2O3.

  16. Nuclear reaction analysis of hydrogen in amorphous silicon and silicon carbide films

    International Nuclear Information System (INIS)

    Guivarc'h, A.; Le Contellec, M.; Richard, J.; Ligeon, E.; Fontenille, J.; Danielou, R.

    1980-01-01

    The 1 H( 11 B, α)αα nuclear reaction is used to determine the H content and the density of amorphous semiconductor Si 1 -sub(x)Csub(x)H 2 and SiHsub(z) thin films. Rutherford backscattering is used to determine the x values and infrared transmission to study the hydrogen bonds. We have observed a transfer or/and a release of hydrogen under bombardment by various ions and we show that this last effect must be taken into account for a correct determination of the hydrogen content. An attempt is made to correlate the hydrogen release with electronic and nuclear energy losses. (orig.)

  17. Comparison of 3D Classical Trajectory and Transition-State Theory Reaction Cross Sections

    Science.gov (United States)

    Koeppl, G. W.; Karplus, Martin

    1970-10-01

    Although there is excellent agreement for a system such as H+H{sub 2} --> H{sub 2}+H, in which both the potential and the particle masses are symmetric, significant deviations occur for more asymmetric reactions. A detailed analysis show that the calculated differences are from the violation of two assumptions of transition-state theory.

  18. 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.

  19. 389 Allergic Reactions to Local Anesthetics: Detection by Skin Tests and Subcutaneous Provocation. Analysis of 160 Cases

    Science.gov (United States)

    Arcanjo, Luiz; Gonçalves Tavares, Tania Maria; Delcourt, Nathalia; Baroni, Juliana; Rios, João; Rios, José Luiz

    2012-01-01

    Background Adverse reactions to local anesthetics (LA) are frequent and often referred to as allergic. Although immune-mediated reactions are rare, it should be investigated for suspected cases. The objective of this study was to determine the frequency of positive skin test to these drugs in patients with a suspected history of allergic reactions and describe the main socio-demographic characteristics of these individuals. Methods Retrospective study of medical records of patients attended at Policlínica Geral do Rio de Janeiro Allergic Clinic, between 2008 and 2011. The parameters evaluated were the test indication and the patient ages and gender. The drug tested was that the patient had a history of suspicion. Patients underwent skin prick and intradermal tests and subcutaneous provocation. Descriptive statistical analysis of the data was performed. Results It was performed 160 tests (125 female). Three of this total was excluded due to inconclusive results. In women, the highest proportion of tests was in the age group from 41 to 60 years (43%), while in males the higher concentration was at a youngest age group: 21 to 40 years (41%). The most common indication (103 cases, 65%) for the tests was a previous suspected anaphylactic reaction by LA. Seven of 157 tests had a positive result (4.4%), 6 of them occurred in women (4.8%). Only one test resulted in a type of anaphylactic reaction response (0.67%). All patients who presented positive response to the test had a history of per-anesthetic reaction that suggested an immune-mediated mechanism. Conclusions In patients with a history of previous reaction to local anesthetics, the skin tests with these drugs have a key role in the prevention of anaphylaxis, and on guidance for adequate anesthetic procedures.

  20. Aligning Metabolic Pathways Exploiting Binary Relation of Reactions.

    Directory of Open Access Journals (Sweden)

    Yiran Huang

    Full Text Available Metabolic pathway alignment has been widely used to find one-to-one and/or one-to-many reaction mappings to identify the alternative pathways that have similar functions through different sets of reactions, which has important applications in reconstructing phylogeny and understanding metabolic functions. The existing alignment methods exhaustively search reaction sets, which may become infeasible for large pathways. To address this problem, we present an effective alignment method for accurately extracting reaction mappings between two metabolic pathways. We show that connected relation between reactions can be formalized as binary relation of reactions in metabolic pathways, and the multiplications of zero-one matrices for binary relations of reactions can be accomplished in finite steps. By utilizing the multiplications of zero-one matrices for binary relation of reactions, we efficiently obtain reaction sets in a small number of steps without exhaustive search, and accurately uncover biologically relevant reaction mappings. Furthermore, we introduce a measure of topological similarity of nodes (reactions by comparing the structural similarity of the k-neighborhood subgraphs of the nodes in aligning metabolic pathways. We employ this similarity metric to improve the accuracy of the alignments. The experimental results on the KEGG database show that when compared with other state-of-the-art methods, in most cases, our method obtains better performance in the node correctness and edge correctness, and the number of the edges of the largest common connected subgraph for one-to-one reaction mappings, and the number of correct one-to-many reaction mappings. Our method is scalable in finding more reaction mappings with better biological relevance in large metabolic pathways.

  1. Clinical features of severe wasp sting patients with dominantly toxic reaction: analysis of 1091 cases.

    Directory of Open Access Journals (Sweden)

    Cuihong Xie

    Full Text Available BACKGROUND: Massive wasp stings have been greatly underestimated and have not been systematically studied. The aim of this study was to identify the clinical features and treatment strategies of severe wasp stings. METHODS AND FINDINGS: A multicenter retrospective study was undertaken in 35 hospitals and medical centers including 12 tertiary care hospitals and 23 secondary care hospitals in the Hubei Province, China. The detailed clinical data of 1091 hospitalized wasp sting patients were investigated. Over three-fourths (76.9% of the cases had 10 or more stings and the in-hospital mortality of patients was 5.1%. Forty-eight patients died of organ injury following toxic reactions to the stings, whereas six died from anaphylactic shock. The in-hospital mortality in patients with >10 stings was higher than that of ≤10 stings (5.2% vs. 1.0%, p = 0.02. Acute kidney injury (AKI was seen in 21.0% patients and most patients required blood purification therapy. Rhabdomyolysis was seen in 24.1% patients, hemolysis in 19.2% patients, liver injury in 30.1% patients, and coagulopathy in 22.5% patients. Regression analysis revealed that high creatinine level, shock, oliguria, and anemia were risk factors for death. Blood purification therapy was beneficial for patients with ≥20 stings and delayed hospital admission of patients (≥4 hours after sting. CONCLUSIONS: In China, most patients with multiple wasp stings presented with toxic reactions and multiple organ dysfunction caused by the venom rather than an anaphylactic reaction. AKI is the prominent clinical manifestation of wasp stings with toxic reaction. High creatinine levels, shock, oliguria, and anemia were risk factors for death.

  2. Community College Recruitment: An Analysis of Applicant Reactions.

    Science.gov (United States)

    Winter, Paul A.; Kjorlien, Chad L.

    The purpose of this study was to: (1) conduct an empirical examination of applicant reactions to faculty jobs described in recruitment advertisements for business faculty vacancies at community colleges; and (2) assess factors that potentially impact applicant decisions to apply for and pursue position vacancies. The results of this study have…

  3. CHEMICAL REACTIONS ON ADSORBING SURFACE: KINETIC LEVEL OF DESCRIPTION

    Directory of Open Access Journals (Sweden)

    P.P.Kostrobii

    2003-01-01

    Full Text Available Based on the effective Hubbard model we suggest a statistical description of reaction-diffusion processes for bimolecular chemical reactions of gas particles adsorbed on the metallic surface. The system of transport equations for description of particles diffusion as well as reactions is obtained. We carry out the analysis of the contributions of all physical processes to the formation of diffusion coefficients and chemical reactions constants.

  4. Thermodynamic analysis and experimental study on the chlorination of uranium oxide by gas-solid reaction

    International Nuclear Information System (INIS)

    Shin, Y.J.; Kim, I.S.; Shin, H.S.; Ro, S.G.; Park, H.S.

    1998-01-01

    In order to determine the operating condition of an uranium chlorination process with U 3 O 8 -C-Cl 2 system, the experimental conditions have been evaluated preliminarily by the thermochemical analysis and experimentally confirmed in this study. The dry-type chlorination of U 3 O 8 occurs as irreversible and exothermic reaction and produces many kinds of chloride compounds such as UCl 3 , UCl 4 , UCl 5 , and UCl 6 in the air and humidity controlled argon environment. Taking account of Gibbs free energy and vapor pressure for various chloride compounds, the proper temperature range of chlorination appears to be 863 to 953 K in aspects of increasing reaction rate and the yield of nonvolatile product. In the course of the experimental confirmation the powder of U 3 O 8 is perfectly converted into uranium chlorides within 4 hours above 863 K, and then the maximum fraction of uranium chloride remaining in the reactor is about 30% of total conversion mass. (author)

  5. Effective reaction rates in diffusion-limited phosphorylation-dephosphorylation cycles

    Science.gov (United States)

    Szymańska, Paulina; Kochańczyk, Marek; Miekisz, Jacek; Lipniacki, Tomasz

    2015-02-01

    We investigate the kinetics of the ubiquitous phosphorylation-dephosphorylation cycle on biological membranes by means of kinetic Monte Carlo simulations on the triangular lattice. We establish the dependence of effective macroscopic reaction rate coefficients as well as the steady-state phosphorylated substrate fraction on the diffusion coefficient and concentrations of opposing enzymes: kinases and phosphatases. In the limits of zero and infinite diffusion, the numerical results agree with analytical predictions; these two limits give the lower and the upper bound for the macroscopic rate coefficients, respectively. In the zero-diffusion limit, which is important in the analysis of dense systems, phosphorylation and dephosphorylation reactions can convert only these substrates which remain in contact with opposing enzymes. In the most studied regime of nonzero but small diffusion, a contribution linearly proportional to the diffusion coefficient appears in the reaction rate. In this regime, the presence of opposing enzymes creates inhomogeneities in the (de)phosphorylated substrate distributions: The spatial correlation function shows that enzymes are surrounded by clouds of converted substrates. This effect becomes important at low enzyme concentrations, substantially lowering effective reaction rates. Effective reaction rates decrease with decreasing diffusion and this dependence is more pronounced for the less-abundant enzyme. Consequently, the steady-state fraction of phosphorylated substrates can increase or decrease with diffusion, depending on relative concentrations of both enzymes. Additionally, steady states are controlled by molecular crowders which, mostly by lowering the effective diffusion of reactants, favor the more abundant enzyme.

  6. Deuterium depth profiling in JT-60U W-shaped divertor tiles by nuclear reaction analysis

    International Nuclear Information System (INIS)

    Hayashi, T.; Ochiai, K.; Masaki, K.; Gotoh, Y.; Kutsukake, C.; Arai, T.; Nishitani, T.; Miya, N.

    2006-01-01

    Deuterium concentrations and depth profiles in plasma-facing graphite tiles used in the divertor of JAERI Tokamak-60 Upgrade (JT-60U) were investigated by nuclear reaction analysis (NRA). The highest deuterium concentration of D/ 12 C of 0.053 was found in the outer dome wing tile, where the deuterium accumulated probably through the deuterium-carbon co-deposition. In the outer and inner divertor target tiles, the D/ 12 C data were lower than 0.006. Additionally, the maximum (H + D)/ 12 C in the dome top tile was estimated to be 0.023 from the results of NRA and secondary ion mass spectroscopy (SIMS). Orbit following Monte-Carlo (OFMC) simulation showed energetic deuterons caused by neutral beam injections (NBI) were implanted into the dome region with high heat flux. Furthermore, the surface temperature and conditions such as deposition and erosion significantly influenced the accumulation process of deuterium. The deuterium depth profile, scanning electron microscope (SEM) observation and OFMC simulation indicated the deuterium was considered to accumulate through three processes: the deuterium-carbon co-deposition, the implantation of energetic deuterons and the deuterium diffusion into the bulk

  7. Bursting in the Belousov-Zhabotinsky Reaction added with Phenol in a Batch Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Cadena, Ariel; Agreda, Jesus, E-mail: jaagredab@unal.edu.co [Departamento de Quimica, Facultad de Ciencias, Universidad Nacional de Colombia, Bogota (Colombia); Barragan, Daniel [Escuela de Quimica, Facultad de Ciencias, Universidad Nacional de Colombia, Medellin (Colombia)

    2013-12-01

    The classic Belousov-Zhabotinski reaction was modified by adding phenol as a second organic substrate that kinetically competes with the malonic acid in the reduction of Ce{sup 4+} to Ce{sup 3+} and in the removal of molecular bromine of the reaction mixture. The oscillating reaction of two substrates exhibited burst firing and an oscillatory period of long duration. Analysis of experimental data shows an increasing of the bursting phenomenon, with a greater spiking in the burst firing and with a longer quiescent state, as a function of the initial phenol concentration increase. It was hypothesized that the bursting phenomenon can be explained introducing a redox cycle between the reduced phenolic species (hydroxyphenols) and the oxidized ones (quinones). The hypothesis was experimentally and numerically tested and from the results it is possible to conclude that the bursting phenomenon exhibited by the oscillating reaction of two substrates is mainly driven by a p-di-hydroxy-benzene/p-benzoquinone redox cycle (author)

  8. Bursting in the Belousov-Zhabotinsky Reaction added with Phenol in a Batch Reactor

    International Nuclear Information System (INIS)

    Cadena, Ariel; Agreda, Jesus; Barragan, Daniel

    2013-01-01

    The classic Belousov-Zhabotinski reaction was modified by adding phenol as a second organic substrate that kinetically competes with the malonic acid in the reduction of Ce 4+ to Ce 3+ and in the removal of molecular bromine of the reaction mixture. The oscillating reaction of two substrates exhibited burst firing and an oscillatory period of long duration. Analysis of experimental data shows an increasing of the bursting phenomenon, with a greater spiking in the burst firing and with a longer quiescent state, as a function of the initial phenol concentration increase. It was hypothesized that the bursting phenomenon can be explained introducing a redox cycle between the reduced phenolic species (hydroxyphenols) and the oxidized ones (quinones). The hypothesis was experimentally and numerically tested and from the results it is possible to conclude that the bursting phenomenon exhibited by the oscillating reaction of two substrates is mainly driven by a p-di-hydroxy-benzene/p-benzoquinone redox cycle (author)

  9. Particle spectra and correlations in sulfur-nucleus reactions at 200 GeV per nucleon

    International Nuclear Information System (INIS)

    Alber, T.

    1995-08-01

    In this work the production of negatively charged particles and two-particle correlations in nucleus-nucleus reactions at high energies are studied. The range of the acceptance of experiment NA35 at the CERN-SPS was increased in 1990 by adding a large volume Time Projection Chamber downstream of the streamer chamber. The analysis of the data taken during the run period 1991 shows that such a detector faces no basic problems when operated in a high multiplicity experiment. The scenario of particle production in sulfur-nucleus reactions is studied via the measurement of rapidity and transverse momentum distributions which show good agreement with the results from other data-sets of the same experiment. The width of the rapidity distribution is only a little narrower than observed in nucleon-nucleon collisions and is in contradiction to the assumption of a static source with isotropic particle emission. The shape of the transverse momentum distribution indicates an effective temperature at freeze-out of about 150 MeV. The analysis of the two-particle correlation benefits particularly from the high statistics collected for different reactions in different phase-space regions. This allows a differential analysis of the correlation function for the different components of the momentum difference in various regions of rapidity and transverse momentum. It is recalled that for an expanding source the experimentally obtained radius parameters are not a direct measure of the geometrical size of the source but measure a so-called region of homogeneity. This expectation is also confirmed by a microscopic simulation of the reaction. The experimental results for the radius parameters support such a description of the particle production mechanism in terms of an expanding source. (orig.)

  10. Measurement and analysis of double-differential neutron emission spectra in (P,N) and (α,N) reactions

    International Nuclear Information System (INIS)

    Okamoto, K.; Mehta, M.K.

    1988-05-01

    The second IAEA Research Co-ordination Meeting on Measurement and Analysis of Double-Differential Neutron Emission Spectra in (p,n) and (α,n) Reactions was convened by the IAEA Nuclear Data Section at the IAEA Headquarters in Vienna during 8-10 February, 1988. The main objectives of the Co-ordinated Research Project for which this meeting was held are (i) to extract systematic information about nuclear level densities as a function of excitation energy by analysing the neutron emission spectra from (p,n) and (α,n) reactions on properly selected targets and bombarding energy range, and (ii) to parametrize this information into appropriate phenomenological models to enable reliable extrapolation for general use of level density information in basic and applied nuclear physics related problems. Detailed conclusions and recommendations, together with a summary of the programme during 1988/1989 are attached in the Appendices

  11. Diagnostic value of polymerase chain reaction analysis of skin biopsies in purpura fulminans.

    Science.gov (United States)

    Beau, Caroline; Vlassova, Natalia; Sarlangue, Jean; Brissaud, Olivier; Léauté-Labrèze, Christine; Boralevi, Franck

    2013-01-01

    Even though prompt diagnosis and treatment of purpura fulminans (PF) is essential to reduce mortality, early administration of antibiotics may preclude identification of the causative agent by standard bacterial cultures and thus render definitive diagnosis impossible. Here we present a case of an infant with PF and negative bacterial cultures for whom polymerase chain reaction (PCR) analysis of a cutaneous biopsy specimen obtained 4 days after initiation of antibiotics identified the genomic sequence of Neisseria meningitidis genogroup C. When bacterial cultures fail to provide useful information, PCR of skin biopsy specimens can be a valuable diagnostic tool in PF. © 2013 Wiley Periodicals, Inc.

  12. Diffuse Urticarial Reaction Associated with Titanium Dioxide Following Laser Tattoo Removal Treatments.

    Science.gov (United States)

    Willardson, Hal Bret; Kobayashi, Todd T; Arnold, Jason G; Hivnor, Chad M; Bowen, Casey D

    2017-03-01

    Local and generalized allergic reactions following laser tattoo removal have been documented, but are rare. To our knowledge, this is the fourth documented case of widespread urticarial eruptions following laser tattoo removal treatment. Unlike previously documented cases, this patient's reaction was found to be associated with titanium dioxide within the tattoo and her symptoms were recalcitrant to medical therapy. A 46-year-old female experienced diffuse urticarial plaques, erythema, and pruritis following multiple laser tattoo removal treatments with an Nd:YAG laser. The systemic allergic reaction was recalcitrant to increasing doses of antihistamines and corticosteroids. The tattoo was finally surgically excised. The excised tissue was analyzed by scanning electron microscopy and energy-dispersive X-ray analysis and contained high levels of titanium dioxide. Two weeks following the excision, and without the use of medical therapy, the patient had complete resolution of her generalized urticaria. Ours is the first documented case of a diffuse urticarial reaction following laser tattoo removal treatments that shows a strong association to titanium dioxide within the tattoo pigment. Herein, we describe a novel surgical approach to treat recalcitrant generalized allergic reaction to tattoo pigment.

  13. Monotectic four-phase reaction in Al-Bi-Zn alloys

    Energy Technology Data Exchange (ETDEWEB)

    Groebner, J. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Mirkovic, D. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, R. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany)]. E-mail: schmid-fetzer@tu-clausthal.de

    2005-06-15

    Thermodynamic phase diagram calculations were used for the systematic search for a monotectic four-phase reaction in ternary Al-alloys. Systems with intermetallic phases and also the elements Cd and Hg were excluded in the present search. The ternary Al-Bi-Zn is a rare occasion where such a reaction, L' = L' + (Al)' + (Zn), actually occurs. Experimental work could be focused on key samples in that system and involved DSC for thermal analysis and calorimetry, and also metallographic analysis using SEM/EDX. Experimental results verify the existence of the monotectic reaction and were also used for a quantitative thermodynamic modeling of Al-Bi-Zn. Solidification paths and microstructures of Al-Bi-Zn alloys are shown to be rather complex. Using thermodynamic calculations, these rich details involving up to three invariant reactions and unexpected monovariant reaction types can be clearly revealed and understood.

  14. Synthesis and conformational analysis of new arylated-diphenylurea derivatives related to sorafenib drug via Suzuki-Miyaura cross-coupling reaction

    Science.gov (United States)

    Al-Masoudi, Najim A.; Essa, Ali Hashem; Alwaaly, Ahmed A. S.; Saeed, Bahjat A.; Langer, Peter

    2017-10-01

    Sorafenib, is a relatively new cytostatic drug approved for the treatment of renal cell and hepatocellular carcinoma. The development of new sorafenib analogues offers the possibility of generating structures of increased potency. To this end, a series of arylated-diphenylurea analogues 17-31 were synthesized via Suzuki-Miyaura coupling reaction, related to sorafenib by treatment of three diarylureas 2-4 having 3-bromo, 4-chloro and 2-iodo groups with various arylboronic acids. Conformational analysis of the new arylated urea analogues has been investigated using MOPAC 2016 of semi empirical PM7 Hamiltonian computational method. Our results showed that all compounds preferred the trans-trans conformations. Compound 17 has been selected to calculate the torsional energy profiles for rotation around the urea bonds and found to be existed predominantly in the trans-trans conformation with only very minimal fluctuation in conformation.

  15. Reaction of uranium and the fluorocarbon FC-75

    Science.gov (United States)

    Young, R. H.

    1985-04-01

    Because of criticality concerns with water cooling in enriched uranium upgrading, a fluorocarbon has been evaluated as a replacement coolant for internal module components in the Plasma Separation Process (PSP). The interaction of bulk uranium and of powdered uranium with FC-75 has been investigated at temperatures between 200 and 700 C. The gas pressure and the metal temperature were monitored as a function of time. Modest temperature changes of 50 to 100 C were observed for the bulk uranium/fluorocarbon reaction. Much larger changes (up to 1000 C) were noted for the reaction involving high surface area uranium powder. These temperature transients, particularly for the powdered uranium reaction, were short-lived ( 10 seconds) and indicative of the formation of a protective layer of reaction products. Analysis of residual gas products by infrared spectroscopy indicated that one potentially serious hazard, UF6, was not present; however, several small toxic fluorocarbons were produced by thermolysis and/or reaction. X-ray diffraction analysis of the residual solids indicated UF4 and UO2 were the major solid products.

  16. Entropy Generation in a Chemical Reaction

    Science.gov (United States)

    Miranda, E. N.

    2010-01-01

    Entropy generation in a chemical reaction is analysed without using the general formalism of non-equilibrium thermodynamics at a level adequate for advanced undergraduates. In a first approach to the problem, the phenomenological kinetic equation of an elementary first-order reaction is used to show that entropy production is always positive. A…

  17. Radiochemical study of the reactions of heavy ions with gold

    International Nuclear Information System (INIS)

    Binder, I.

    1977-07-01

    Thick gold foils have been bombarded with heavy-ion projectiles at energies above the Coulomb barrier. The radioactive products were identified and their yields measured using gamma-ray spectrometry and an extensive series of computer programs developed for the data analysis. The total mass-yield distribution was extracted from the data using charge-dispersion curves inferred from the experimental results. One observes a change in the mass-yield distributions corresponding to primarily fusion-fission tractions occurring with the lighter projectiles Ne-20 and Ar-40 and deep-inelastic transfer reactions predominating with heavier Kr-84, Kr-86, and Xe-136 projectiles. For the deep-inelastic transfer reaction, more mass transfer is seen to occur for a higher incident projectile energy, and the Gaussian distribution of products shows exponential tailing. The preferred direction for mass transfer is from gold to the projectile nucleus. Sequential fission is a likely fate for nucludes beyond the lead shell closure. The ''gold finger'' is explained as a combination of mass transfer, nucleon evaporation and sequential fission. The yields of gold nuclides indicate a superposition of two reaction mechanisms, quasi-elastic and deep-inelastic. The angular momentum involved with each mechanism determines which of two isomeric states is the end product of the nuclear reaction. Suggestions are offered regarding the possibility of synthesizing super-heavy elements by use of heavy-ion nuclear reactions

  18. Radiochemical study of the reactions of heavy ions with gold

    Energy Technology Data Exchange (ETDEWEB)

    Binder, I.

    1977-07-01

    Thick gold foils have been bombarded with heavy-ion projectiles at energies above the Coulomb barrier. The radioactive products were identified and their yields measured using gamma-ray spectrometry and an extensive series of computer programs developed for the data analysis. The total mass-yield distribution was extracted from the data using charge-dispersion curves inferred from the experimental results. One observes a change in the mass-yield distributions corresponding to primarily fusion-fission tractions occurring with the lighter projectiles Ne-20 and Ar-40 and deep-inelastic transfer reactions predominating with heavier Kr-84, Kr-86, and Xe-136 projectiles. For the deep-inelastic transfer reaction, more mass transfer is seen to occur for a higher incident projectile energy, and the Gaussian distribution of products shows exponential tailing. The preferred direction for mass transfer is from gold to the projectile nucleus. Sequential fission is a likely fate for nucludes beyond the lead shell closure. The ''gold finger'' is explained as a combination of mass transfer, nucleon evaporation and sequential fission. The yields of gold nuclides indicate a superposition of two reaction mechanisms, quasi-elastic and deep-inelastic. The angular momentum involved with each mechanism determines which of two isomeric states is the end product of the nuclear reaction. Suggestions are offered regarding the possibility of synthesizing super-heavy elements by use of heavy-ion nuclear reactions.

  19. Pattern dynamics of the reaction-diffusion immune system.

    Science.gov (United States)

    Zheng, Qianqian; Shen, Jianwei; Wang, Zhijie

    2018-01-01

    In this paper, we will investigate the effect of diffusion, which is ubiquitous in nature, on the immune system using a reaction-diffusion model in order to understand the dynamical behavior of complex patterns and control the dynamics of different patterns. Through control theory and linear stability analysis of local equilibrium, we obtain the optimal condition under which the system loses stability and a Turing pattern occurs. By combining mathematical analysis and numerical simulation, we show the possible patterns and how these patterns evolve. In addition, we establish a bridge between the complex patterns and the biological mechanism using the results from a previous study in Nature Cell Biology. The results in this paper can help us better understand the biological significance of the immune system.

  20. Consistent analysis of peripheral reaction channels and fusion for the 16,18O+58Ni systems

    International Nuclear Information System (INIS)

    Alves, J.J.S.; Gomes, P.R.S.; Lubian, J.; Chamon, L.C.; Pereira, D.; Anjos, R.M.; Rossi, E.S.; Silva, C.P.; Alvarez, M.A.G.; Nobre, G.P.A.; Gasques, L.R.

    2005-01-01

    We have measured elastic scattering and peripheral reaction channel cross sections for the 16,18 O+ 58 Ni systems at ELab=46 MeV. The data were analyzed through extensive coupled-channel calculations. It was investigated the consistency of the present analysis with a previous one at sub-barrier energies. Experimental fusion cross sections for these systems are also compared with the corresponding predictions of the coupled-channel calculations

  1. On the importance of hydrogen bonding in the promotion of Diels-Alder reactions of unactivated aldehydes: a computational study

    Science.gov (United States)

    Chemouri, Hafida; Mekelleche, Sidi Mohamed

    2014-03-01

    The kinetic solvent effects on the Diels-Alder (DA) reaction of N,N-dimethylamino-3-trimethylsilyl butadiene with p-anisaldehyde are studied by density functional calculations at the B3LYP/6-31C(d) level of theory. Experimentally, it has been found that the acceleration of this reaction is not due to the increase of the polarity of the solvent but it is rather due to hydrogen bonding (HB). Intrinsic reaction coordinate calculations combined with electron localisation function analysis show that this reaction follows a one-step two-stage mechanism with a highly asynchronous sigma bond formation process. The calculations, performed using an explicit solvent model based on the coordination of the carbonyl group with one molecule of the solvent, show a considerable decrease of the activation energy when going from the gas phase (ɛ = 1) to solution phase and this diminution is found to be more important in isopropyl alcohol (ɛ = 18.3) in comparison with acetonitrile (ɛ = 37.5). Our calculations also show that the acceleration of this DA reaction is due to the increase of the electrophilicity power of the solvated carbonyl compound and consequently the increase of the polarity of the reaction in the presence of protic solvents. The obtained results put in evidence the relevance of HB in the promotion of DA reactions of unactivated ketones as experimentally expected.

  2. Substance abusers' personality disorders and staff members' emotional reactions

    Directory of Open Access Journals (Sweden)

    Hesse Morten

    2008-04-01

    Full Text Available Abstract Background Previous research has indicated that aggressive behaviour and DSM-IV cluster B personality disorders (PD may be associated with professionals' emotional reactions to clients, and that cluster C PD may be associated with positive emotional reactions. Methods Staff members recruited from workshops completed a self-report inventory of emotional reactions to patients, the Feeling Word Checklist-58, and substance abusers completed a self-report of DSM-IV personality disorder, the DSM-IV and ICD-10 Personality Disorder Questionnaire. Correlational analysis and multiple regression analysis was used to assess the associations between personality disorders and emotional reations. Results Cluster B disorder features were associated with feeling distance to patients, and cluster C disorder features were associated with feeling helpful towards patients. Cluster A disorders had no significant impact on emotional reactions. Conclusion The findings confirm clinical experiences that personality disorder features in patients with substance abuse have an impact on staff members reactions to them. These reactions should be considered in supervision of staff, and in treatment models for patients with co-morbid personality disorders and substance abuse.

  3. Analysis of π+p→π0(eta)Δ++ and related reactions

    International Nuclear Information System (INIS)

    Saleem, Mohammad; Fazal-e-Aleem; Rafique, Muhammad

    1984-01-01

    The differential and integrated cross sections and density matrix elements for the reactions π + p→ π 0 (eta)Δ ++ and the reactions π - p→π - Δ + , K + p→K 0 Δ ++ and K - n→K-bar 0 Δ - which are related to them by SU(2) and SU(3) are fitted by using a simple Regge pole model with phenomenological residue functions. (author)

  4. Development of a prediction model of severe reaction in boiled egg challenges.

    Science.gov (United States)

    Sugiura, Shiro; Matsui, Teruaki; Nakagawa, Tomoko; Sasaki, Kemal; Nakata, Joon; Kando, Naoyuki; Ito, Komei

    2016-07-01

    We have proposed a new scoring system (Anaphylaxis SCoring Aichi: ASCA) for a quantitative evaluation of the anaphylactic reaction that is observed in an oral food challenge (OFC). Furthermore, the TS/Pro (Total Score of ASCA/cumulative protein dose) can be a marker to represent the overall severity of a food allergy. We aimed to develop a prediction model for a severe allergic reaction that is provoked in a boiled egg white challenge. We used two separate datasets to develop and validate the prediction model, respectively. The development dataset included 198 OFCs, that tested positive. The validation dataset prospectively included 140 consecutive OFCs, irrespective of the result. A 'severe reaction' was defined as a TS/Pro higher than 31 (the median score of the development dataset). A multivariate logistic regression analysis was performed to identify the factors associated with a severe reaction and develop the prediction model. The following four factors were independently associated with a severe reaction: ovomucoid specific IgE class (OM-sIgE: 0-6), aged 5 years or over, a complete avoidance of egg, and a total IgE prediction model. The model showed good discrimination in a receiver operating characteristic analysis; area under the curve (AUC) = 0.84 in development dataset, AUC = 0.85 in validation dataset. The prediction model significantly improved the AUC in both datasets compared to OM-sIgE alone. This simple scoring prediction model was useful for avoiding risky OFC. Copyright © 2016 Japanese Society of Allergology. Production and hosting by Elsevier B.V. All rights reserved.

  5. Study of peripheral heavy ion reactions at 84 MeV/nucleon

    International Nuclear Information System (INIS)

    Rabe, H.J.

    1986-01-01

    In peripheral heavy ion reactions between 18 O and 58,64 Ni, 18 O and u97 Au, as well as between 12 C and 197 Au at an incident energy of 84 MeV/nucleon azimutal angular correlations between projectile fragments and light particles (p,d,t,α) were studied. By the selection of heavy projectile fragments Z p ≥6 and small multiplicity of the light particles from the target or from the reaction zone peripheral reactions between the heavy ions were selected. The data analysis showed that the emission of light particles under ΔΦ=180 0 , i.e. on the side lying relative to the beam axis opposite to the projectile fragment, is distinctly increased. The counting-rate ratio N(ΔΦ=180 0 )/N(ΔΦ=0 0 ) can amount up to 3.5:1. A detailed analysis yields the result that the anisotropy is closely correlated to the transverse momentum p t of the projectile fragments, whereby the connection for p t 600 MeV/c is nearly linear. The absolute cross section for these processes with small multiplicity of the light particles in coincidence with heavy projectile fragments (Z p ≥6) lies in the order of magnitude of 200 mb. (orig./HSI) [de

  6. On the ambiguity of the reaction rate constants in multivariate curve resolution for reversible first-order reaction systems.

    Science.gov (United States)

    Schröder, Henning; Sawall, Mathias; Kubis, Christoph; Selent, Detlef; Hess, Dieter; Franke, Robert; Börner, Armin; Neymeyr, Klaus

    2016-07-13

    If for a chemical reaction with a known reaction mechanism the concentration profiles are accessible only for certain species, e.g. only for the main product, then often the reaction rate constants cannot uniquely be determined from the concentration data. This is a well-known fact which includes the so-called slow-fast ambiguity. This work combines the question of unique or non-unique reaction rate constants with factor analytic methods of chemometrics. The idea is to reduce the rotational ambiguity of pure component factorizations by considering only those concentration factors which are possible solutions of the kinetic equations for a properly adapted set of reaction rate constants. The resulting set of reaction rate constants corresponds to those solutions of the rate equations which appear as feasible factors in a pure component factorization. The new analysis of the ambiguity of reaction rate constants extends recent research activities on the Area of Feasible Solutions (AFS). The consistency with a given chemical reaction scheme is shown to be a valuable tool in order to reduce the AFS. The new methods are applied to model and experimental data. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. A Micro Polymerase Chain Reaction Module for Integrated and Portable DNA Analysis Systems

    Directory of Open Access Journals (Sweden)

    Elisa Morganti

    2011-01-01

    Full Text Available This work deals with the design, fabrication, and thermal characterization of a disposable miniaturized Polymerase Chain Reaction (PCR module that will be integrated in a portable and fast DNA analysis system. It is composed of two independent parts: a silicon substrate with embedded heater and thermometers and a PDMS (PolyDiMethylSiloxane chamber reactor as disposable element; the contact between the two parts is assured by a mechanical clamping obtained using a Plastic Leaded Chip Carrier (PLCC. This PLCC is also useful, avoid the PCR mix evaporation during the thermal cycles. Finite Element Analysis was used to evaluate the thermal requirements of the device. The thermal behaviour of the device was characterized revealing that the temperature can be controlled with a precision of ±0.5°C. Different concentrations of carbon nanopowder were mixed to the PDMS curing agent in order to increase the PDMS thermal conductivity and so the temperature control accuracy.

  8. Products of aqueous vitamin B5 (pantothenic acid) formed by free radical reactions

    International Nuclear Information System (INIS)

    Schittl, H.; Quint, R.M.; Getoff, N.

    2007-01-01

    The radiolysis of aqueous vitamin B5 (pantothenic acid) has been investigated under various experimental conditions. The highest vitamin degradation (G=3.22) was observed in solutions saturated with N 2 O, where 90% OH radicals are operating. As final products, the following were established: aldehydes, carboxylic acids and ammonia. Their yield strongly depends on the presence/absence of air as well as on N 2 O (used to convert e aq - into OH) and was determined as a function of absorbed radiation dose. HPLC-analysis showed that in all media, a main product is formed, having the highest yield in aerated solutions. Based on the chemical analysis, it appears that the OH radicals are most involved in the degradation process. A precise sequence of the reaction steps could not be given presently, because of the implication of many simultaneous reactions

  9. Rate Coefficient Measurements and Theoretical Analysis of the OH + ( E) CF3CH=CHCF3 Reaction.

    Science.gov (United States)

    Baasandorj, Munkhbayar; Marshall, Paul; Waterland, Robert L; Ravishankara, Akkihebbal R; Burkholder, James B

    2018-04-25

    Rate coefficients, k, for the gas-phase reaction of the OH radical with (E) CF3CH=CHCF3 ((E)-1,1,14,4,4-hexafluoro-2-butene, HFO-1336mzz(E)) were measured over a range of temperature (211-374 K) and bath gas pressure (20-300 Torr; He, N2) using a pulsed laser photolysis-laser induced fluorescence (PLP-LIF) technique. k1(T) was independent of pressure over this range of conditions with k1(296 K) = (1.31 ± 0.15) × 10 13 cm3 molecule 1 s 1 and k1(T) = (6.94 ± 0.80) × 10 13 exp[ (496 ± 10)/T] cm3 molecule 1 s 1, where the uncertainties are 2 and the pre-exponential term includes estimated systematic error. Rate coefficients for the OD reaction were also determined over a range of temperature (262-374 K) at 100 Torr (He). The OD rate coefficients were ~15% greater than the OH values and showed similar temperature dependent behavior with k2(T) = (7.52 ± 0.44) × 10 13 exp[ (476 ± 20)/T] and k2(296 K) = (1.53 ± 0.15) × 10 13 cm3 molecule 1 s 1. The rate coefficients for reaction 1 were also measured using a relative rate technique between 296 and 375 K with k1(296 K) measured to be (1.22 ± 0.1) × 10 13 cm3 molecule 1 s 1 in agreement with the PLP-LIF results. In addition, the 296 K rate coefficient for the O3 + (E) CF3CH=CHCF3 reaction was determined to be reaction and the significant decrease in OH reactivity compared to the (Z) CF3CH=CHCF3 stereoisomer reaction. The estimated atmospheric lifetime of (E) CF3CH=CHCF3, due to loss by reaction with OH, is estimated to be ~90 days, while the actual lifetime will depend on the location and season of its emission. Infrared absorption spectra of (E) CF3CH=CHCF3 were measured and used to estimate the 100-year time horizon global warming potentials (GWP) of 32 (atmospherically well-mixed) and 14 (lifetime-adjusted).

  10. Formation kinetics of gemfibrozil chlorination reaction products: analysis and application.

    Science.gov (United States)

    Krkosek, Wendy H; Peldszus, Sigrid; Huck, Peter M; Gagnon, Graham A

    2014-07-01

    Aqueous chlorination kinetics of the lipid regulator gemfibrozil and the formation of reaction products were investigated in deionized water over the pH range 3 to 9, and in two wastewater matrices. Chlorine oxidation of gemfibrozil was found to be highly dependent on pH. No statistically significant degradation of gemfibrozil was observed at pH values greater than 7. Gemfibrozil oxidation between pH 4 and 7 was best represented by first order kinetics. At pH 3, formation of three reaction products was observed. 4'-C1Gem was the only reaction product formed from pH 4-7 and was modeled with zero order kinetics. Chlorine oxidation of gemfibrozil in two wastewater matrices followed second order kinetics. 4'-C1Gem was only formed in wastewater with pH below 7. Deionized water rate kinetic models were applied to two wastewater effluents with gemfibrozil concentrations reported in literature in order to calculate potential mass loading rates of 4'C1Gem to the receiving water.

  11. Markovian dynamics on complex reaction networks

    Energy Technology Data Exchange (ETDEWEB)

    Goutsias, J., E-mail: goutsias@jhu.edu; Jenkinson, G., E-mail: jenkinson@jhu.edu

    2013-08-10

    Complex networks, comprised of individual elements that interact with each other through reaction channels, are ubiquitous across many scientific and engineering disciplines. Examples include biochemical, pharmacokinetic, epidemiological, ecological, social, neural, and multi-agent networks. A common approach to modeling such networks is by a master equation that governs the dynamic evolution of the joint probability mass function of the underlying population process and naturally leads to Markovian dynamics for such process. Due however to the nonlinear nature of most reactions and the large size of the underlying state-spaces, computation and analysis of the resulting stochastic population dynamics is a difficult task. This review article provides a coherent and comprehensive coverage of recently developed approaches and methods to tackle this problem. After reviewing a general framework for modeling Markovian reaction networks and giving specific examples, the authors present numerical and computational techniques capable of evaluating or approximating the solution of the master equation, discuss a recently developed approach for studying the stationary behavior of Markovian reaction networks using a potential energy landscape perspective, and provide an introduction to the emerging theory of thermodynamic analysis of such networks. Three representative problems of opinion formation, transcription regulation, and neural network dynamics are used as illustrative examples.

  12. Markovian dynamics on complex reaction networks

    International Nuclear Information System (INIS)

    Goutsias, J.; Jenkinson, G.

    2013-01-01

    Complex networks, comprised of individual elements that interact with each other through reaction channels, are ubiquitous across many scientific and engineering disciplines. Examples include biochemical, pharmacokinetic, epidemiological, ecological, social, neural, and multi-agent networks. A common approach to modeling such networks is by a master equation that governs the dynamic evolution of the joint probability mass function of the underlying population process and naturally leads to Markovian dynamics for such process. Due however to the nonlinear nature of most reactions and the large size of the underlying state-spaces, computation and analysis of the resulting stochastic population dynamics is a difficult task. This review article provides a coherent and comprehensive coverage of recently developed approaches and methods to tackle this problem. After reviewing a general framework for modeling Markovian reaction networks and giving specific examples, the authors present numerical and computational techniques capable of evaluating or approximating the solution of the master equation, discuss a recently developed approach for studying the stationary behavior of Markovian reaction networks using a potential energy landscape perspective, and provide an introduction to the emerging theory of thermodynamic analysis of such networks. Three representative problems of opinion formation, transcription regulation, and neural network dynamics are used as illustrative examples

  13. Analysis of aluminum base-reaction effect in density, porosity, and thermal insulation of porous fire bricks

    Science.gov (United States)

    Wismogroho, Agus Sukarto; Firmansyah, Trisna Bagus; Meidianto, Alwi; Widayatno, Wahyu Bambang; Amal, Muhamad Ikhlasul

    2018-05-01

    This paper reports the effect of aluminium corrosion reaction on the density, porosity, and thermal insulation capability of porous fire bricks. The reaction between aluminium and alkaline solution produces hydrogen and other sediment products. The test specimens of fire bricks were made from the mixture of castable cement, aluminium powder of 325 mesh in size (0, 0.1, 1, and 2 wt% with respect to castable cement), and 0.185 M KOH solution. The structural examination of the specimens shows the increase of porosity to 22.7 - 30.6% and the decrease of density in the range of 1.135-1.503 g/mL. In addition, the samples possess average pore size of 0.001-0.003 cm3 with the thermal insulation in the range of 47-78%.

  14. The Link between Hypersensitivity Syndrome Reaction Development and Human Herpes Virus-6 Reactivation

    Directory of Open Access Journals (Sweden)

    Joshua C. Pritchett

    2012-01-01

    Data Sources and Extraction. Drugs identified as causes of (i idiosyncratic reactions, (ii drug-induced hypersensitivity, drug-induced hepatotoxicity, acute liver failure, and Stevens-Johnson syndrome, and (iii human herpes virus reactivation in PubMed since 1997 have been collected and discussed. Results. Data presented in this paper show that HHV-6 reactivation is associated with more severe organ involvement and a prolonged course of disease. Conclusion. This analysis of HHV-6 reactivation associated with drug-induced severe cutaneous reactions and hepatotoxicity will aid in causality assessment and clinical diagnosis of possible life-threatening events and will provide a basis for further patient characterization and therapy.

  15. Periodic precipitation a microcomputer analysis of transport and reaction processes in diffusion media, with software development

    CERN Document Server

    Henisch, H K

    1991-01-01

    Containing illustrations, worked examples, graphs and tables, this book deals with periodic precipitation (also known as Liesegang Ring formation) in terms of mathematical models and their logical consequences, and is entirely concerned with microcomputer analysis and software development. Three distinctive periodic precipitation mechanisms are included: binary diffusion-reaction; solubility modulation, and competitive particle growth. The book provides didactic illustrations of a valuable investigational procedure, in the form of hypothetical experimentation by microcomputer. The development

  16. Outcome of polymerase chain reaction (PCR) analysis in 100 suspected cases of infectious uveitis.

    Science.gov (United States)

    Kharel Sitaula, Ranju; Janani, M K; Madhavan, H N; Biswas, Jyotirmay

    2018-01-10

    Polymerase chain reaction (PCR) analysis is an important tool in the diagnosis of infectious uveitis. A retrospective, interventional study of PCR analysis of ocular fluid in suspected infectious uveitis cases between January 2014 to July 2016 was done. Nested, real-time and broad range PCR was performed for detection of the genome of Mycobacterium tuberculosis, herpes virus family, Chikungunya virus, Toxoplasma gondii, fungus, eubacterium and propionibacterium acne. Total of 100 cases included, mean age was 39.2 ± 15.4 years. Uveitis was unilateral in 82% and granulomatous in 40%. Mean visual acuity at the initial visit and final visit was 0.73 logMar and 0.63 logMar respectively. PCR analysis confirmed the clinical diagnosis in 70.1% patients. The sensitivity, specificity, positive predictive value and negative predictive value of PCR analysis was 90.2%, 93.9%, 93.9% and 90.2% respectively. The quantitative value of real-time M. tb. Positive PCR ranged from 32c/ml to 2722 c/ml. PCR assay is an accurate technique with high sensitivity and specificity to diagnose the DNA genome in infectious uveitis.

  17. R/S analysis of reaction time in Neuron Type Test for human activity in civil aviation

    Science.gov (United States)

    Zhang, Hong-Yan; Kang, Ming-Cui; Li, Jing-Qiang; Liu, Hai-Tao

    2017-03-01

    Human factors become the most serious problem leading to accidents of civil aviation, which stimulates the design and analysis of Neuron Type Test (NTT) system to explore the intrinsic properties and patterns behind the behaviors of professionals and students in civil aviation. In the experiment, normal practitioners' reaction time sequences, collected from NTT, exhibit log-normal distribution approximately. We apply the χ2 test to compute the goodness-of-fit by transforming the time sequence with Box-Cox transformation to cluster practitioners. The long-term correlation of different individual practitioner's time sequence is represented by the Hurst exponent via Rescaled Range Analysis, also named by Range/Standard deviation (R/S) Analysis. The different Hurst exponent suggests the existence of different collective behavior and different intrinsic patterns of human factors in civil aviation.

  18. Thermodynamic and Kinetic Response of Microbial Reactions to High CO2.

    Science.gov (United States)

    Jin, Qusheng; Kirk, Matthew F

    2016-01-01

    Geological carbon sequestration captures CO 2 from industrial sources and stores the CO 2 in subsurface reservoirs, a viable strategy for mitigating global climate change. In assessing the environmental impact of the strategy, a key question is how microbial reactions respond to the elevated CO 2 concentration. This study uses biogeochemical modeling to explore the influence of CO 2 on the thermodynamics and kinetics of common microbial reactions in subsurface environments, including syntrophic oxidation, iron reduction, sulfate reduction, and methanogenesis. The results show that increasing CO 2 levels decreases groundwater pH and modulates chemical speciation of weak acids in groundwater, which in turn affect microbial reactions in different ways and to different extents. Specifically, a thermodynamic analysis shows that increasing CO 2 partial pressure lowers the energy available from syntrophic oxidation and acetoclastic methanogenesis, but raises the available energy of microbial iron reduction, hydrogenotrophic sulfate reduction and methanogenesis. Kinetic modeling suggests that high CO 2 has the potential of inhibiting microbial sulfate reduction while promoting iron reduction. These results are consistent with the observations of previous laboratory and field studies, and highlight the complexity in microbiological responses to elevated CO 2 abundance, and the potential power of biogeochemical modeling in evaluating and quantifying these responses.

  19. Thermodynamic and kinetic response of microbial reactions to high CO2

    Directory of Open Access Journals (Sweden)

    Qusheng Jin

    2016-11-01

    Full Text Available Geological carbon sequestration captures CO2 from industrial sources and stores the CO2 in subsurface reservoirs, a viable strategy for mitigating global climate change. In assessing the environmental impact of the strategy, a key question is how microbial reactions respond to the elevated CO2 concentration. This study uses biogeochemical modeling to explore the influence of CO2 on the thermodynamics and kinetics of common microbial reactions in subsurface environments, including syntrophic oxidation, iron reduction, sulfate reduction, and methanogenesis. The results show that increasing CO2 levels decreases groundwater pH and modulates chemical speciation of weak acids in groundwater, which in turn affect microbial reactions in different ways and to different extents. Specifically, a thermodynamic analysis shows that increasing CO2 partial pressure lowers the energy available from syntrophic oxidation and acetoclastic methanogenesis, but raises the available energy of microbial iron reduction, hydrogenotrophic sulfate reduction and methanogenesis. Kinetic modeling suggests that high CO2 has the potential of inhibiting microbial sulfate reduction while promoting iron reduction. These results are consistent with the observations of previous laboratory and field studies, and highlight the complexity in microbiological responses to elevated CO2 abundance, and the potential power of biogeochemical modeling in evaluating and quantifying these responses.

  20. Preparation of molybdenum borides by combustion synthesis involving solid-phase displacement reactions

    International Nuclear Information System (INIS)

    Yeh, C.L.; Hsu, W.S.

    2008-01-01

    Preparation of molybdenum borides of five different phases in the Mo-B binary system (including Mo 2 B, MoB, MoB 2 , Mo 2 B 5 , and MoB 4 ) was performed by self-propagating high-temperature synthesis (SHS) with two kinds of the reactant samples. When elemental powder compacts with an exact stoichiometry corresponding to the boride phase were employed, self-sustaining reaction was only achieved in the sample with Mo:B = 1:1 and nearly single-phase MoB was yielded. Therefore, the other four boride compounds were prepared from the reactant compacts composed of MoO 3 , Mo, and B powders, within which the displacement reaction of MoO 3 with boron was involved in combustion synthesis. Experimental evidence shows that the extent of displacement reaction in the overall reaction has a significant impact on sustainability of the synthesis reaction, combustion temperature, reaction front velocity, and composition of the end product. An increase in the solid-phase displacement reaction taking place during the SHS process contributes more heat flux to the synthesis reaction, thus resulting in the increase of combustion temperature and enhancement of the reaction front velocity. Based upon the XRD analysis, formation of Mo 2 B, MoB 2 , and Mo 2 B 5 as the dominant boride phase in the end product was successful through the SHS reaction with powder compacts under appropriate stoichiometries between MoO 3 , Mo, and B. However, a poor conversion was observed in the synthesis of MoB 4 . The powder compact prepared for the production of MoB 4 yielded mostly Mo 2 B 5

  1. Unified path integral approach to theories of diffusion-influenced reactions

    Science.gov (United States)

    Prüstel, Thorsten; Meier-Schellersheim, Martin

    2017-08-01

    Building on mathematical similarities between quantum mechanics and theories of diffusion-influenced reactions, we develop a general approach for computational modeling of diffusion-influenced reactions that is capable of capturing not only the classical Smoluchowski picture but also alternative theories, as is here exemplified by a volume reactivity model. In particular, we prove the path decomposition expansion of various Green's functions describing the irreversible and reversible reaction of an isolated pair of molecules. To this end, we exploit a connection between boundary value and interaction potential problems with δ - and δ'-function perturbation. We employ a known path-integral-based summation of a perturbation series to derive a number of exact identities relating propagators and survival probabilities satisfying different boundary conditions in a unified and systematic manner. Furthermore, we show how the path decomposition expansion represents the propagator as a product of three factors in the Laplace domain that correspond to quantities figuring prominently in stochastic spatially resolved simulation algorithms. This analysis will thus be useful for the interpretation of current and the design of future algorithms. Finally, we discuss the relation between the general approach and the theory of Brownian functionals and calculate the mean residence time for the case of irreversible and reversible reactions.

  2. Driving Chemical Reactions in Plasmonic Nanogaps with Electrohydrodynamic Flow.

    Science.gov (United States)

    Thrift, William J; Nguyen, Cuong Q; Darvishzadeh-Varcheie, Mahsa; Zare, Siavash; Sharac, Nicholas; Sanderson, Robert N; Dupper, Torin J; Hochbaum, Allon I; Capolino, Filippo; Abdolhosseini Qomi, Mohammad Javad; Ragan, Regina

    2017-11-28

    Nanoparticles from colloidal solution-with controlled composition, size, and shape-serve as excellent building blocks for plasmonic devices and metasurfaces. However, understanding hierarchical driving forces affecting the geometry of oligomers and interparticle gap spacings is still needed to fabricate high-density architectures over large areas. Here, electrohydrodynamic (EHD) flow is used as a long-range driving force to enable carbodiimide cross-linking between nanospheres and produces oligomers exhibiting sub-nanometer gap spacing over mm 2 areas. Anhydride linkers between nanospheres are observed via surface-enhanced Raman scattering (SERS) spectroscopy. The anhydride linkers are cleavable via nucleophilic substitution and enable placement of nucleophilic molecules in electromagnetic hotspots. Atomistic simulations elucidate that the transient attractive force provided by EHD flow is needed to provide a sufficient residence time for anhydride cross-linking to overcome slow reaction kinetics. This synergistic analysis shows assembly involves an interplay between long-range driving forces increasing nanoparticle-nanoparticle interactions and probability that ligands are in proximity to overcome activation energy barriers associated with short-range chemical reactions. Absorption spectroscopy and electromagnetic full-wave simulations show that variations in nanogap spacing have a greater influence on optical response than variations in close-packed oligomer geometry. The EHD flow-anhydride cross-linking assembly method enables close-packed oligomers with uniform gap spacings that produce uniform SERS enhancement factors. These results demonstrate the efficacy of colloidal driving forces to selectively enable chemical reactions leading to future assembly platforms for large-area nanodevices.

  3. Nuclear alignment following compound nucleus reactions

    International Nuclear Information System (INIS)

    Butler, P.A.; Nolan, P.J.

    1981-01-01

    A procedure for calculating the alignment of a nuclear state populated by a compound nucleus reaction is given and used to investigate how alignment varies for different types of population mechanisms. The calculations are compared to both predictions of Gaussian models for the state population distribution and to experimental data, for a variety of types of nuclear reactions. The treatment of alignment in the analysis of γ-ray angular distribution is discussed. (orig.)

  4. Redox reaction characteristics of riboflavin: a fluorescence spectroelectrochemical analysis and density functional theory calculation.

    Science.gov (United States)

    Chen, Wei; Chen, Jie-Jie; Lu, Rui; Qian, Chen; Li, Wen-Wei; Yu, Han-Qing

    2014-08-01

    Riboflavin (RF), the primary redox active component of flavin, is involved in many redox processes in biogeochemical systems. Despite of its wide distribution and important roles in environmental remediation, its redox behaviors and reaction mechanisms in hydrophobic sites remain unclear yet. In this study, spectroelectrochemical analysis and density functional theory (DFT) calculation were integrated to explore the redox behaviors of RF in dimethyl sulfoxide (DMSO), which was used to create a hydrophobic environment. Specifically, cyclic voltafluorometry (CVF) and derivative cyclic voltafluorometry (DCVF) were employed to track the RF concentration changing profiles. It was found that the reduction contained a series of proton-coupled electron transfers dependent of potential driving force. In addition to the electron transfer-chemical reaction-electron transfer process, a disproportionation (DISP1) process was also identified to be involved in the reduction. The redox potential and free energy of each step obtained from the DFT calculations further confirmed the mechanisms proposed based on the experimental results. The combination of experimental and theoretical approaches yields a deep insight into the characteristics of RF in environmental remediation and better understanding about the proton-coupled electron transfer mechanisms. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. THE SULFONATION STUDY OF REACTION MECHANISM ON PAPAVERINE ALKALOID BY GC-MS AND FT-IR

    Directory of Open Access Journals (Sweden)

    I Made Sudarma

    2010-06-01

    Full Text Available The aim of this research was to prove theoretical mechanism reaction on the sulfonation of papaverine alkaloid and the result could be used as a reference on the transformation of these alkaloid to the other derivatives. Theoriticaly sulfonation of papaverine (1 by HO-SO2Cl could produced papaverine sulfonyl chloride (1a. The formation of this product was analyzed by analytical thin layer chromatography GC-MS, and FT-IR. These analysis showed the formation of product (1a more favorable than the other. Tlc showed product (1a less polar than papaverine, and supported by GC-MS and infrared which showed molecular ion at m/z 412 due to the presence of -SO2Cl and vibration at 1153,4 dan 1265,2 Cm-1 due to absorption of sulfonyl group.   Keywords: reaction mechanism, sulfonation, papaverine alkaloid.

  6. Study of K-p→0-1/2+ and K-p→0-3/2+ reactions

    International Nuclear Information System (INIS)

    Chaurand, B.M.G.

    1976-01-01

    With 1.3x10 6 photos taken with the CERN two meters hydrogen bubble chamber, interactions of the type K - p→0 - 1/2 + (3/2 + ) at 14.3GeV/c were studied. Experimental data are given as well as the amplitudes which describe these reactions, and show how they are connected with the measurable quantities; these are determined in each of the reactions whenever it is possible (sigma sub(T), dsigma/dt, polarization of Λ and Σ + , density matrix element of Σ + (1385)). The results are compared with those obtained at other energies and with some predictions of SU 3 . Finally, it is explained how the results have contributed to the analysis of the amplitudes of the reactions 0 - 1/2 + →0 - 1/2 + (3/2 + ) [fr

  7. Analysis of fluorine by nuclear reactions and applications to human dental enamel

    International Nuclear Information System (INIS)

    Stroobants, J.; Bodart, F.; Deconninck, G.; Demortier, G.; Nicolas, G.

    Nuclear reactions induced on Fluorine by low energy protons are investigated, thick target excitation yield curves and tables for 19 F(p,p'γ) 19 F and 19 F(p,αγ) 16 O reactions are given between 0.3 and 2.5 MeV. Interferences from other nuclear reactions, detection limits and sensitivity for Fluorine detection are investigated. After a wide investigation of the repartition of Fluorine in tooth enamel it is concluded that there is an equilibrium of the concentrations between tooth and saliva which is rapidly restored after the perturbation introduced by the external treatments. (author)

  8. Bimolecular reactions of carbenes: Proton transfer mechanism

    Science.gov (United States)

    Abu-Saleh, Abd Al-Aziz A.; Almatarneh, Mansour H.; Poirier, Raymond A.

    2018-04-01

    Here we report the bimolecular reaction of trifluoromethylhydroxycarbene conformers and the water-mediated mechanism of the 1,2-proton shift for the unimolecular trans-conformer by using quantum chemical calculations. The CCSD(T)/cc-pVTZ//MP2/cc-pVDZ potential-energy profile of the bimolecular reaction of cis- and trans-trifluoromethylhydroxycarbene, shows the lowest gas-phase barrier height of 13 kJ mol-1 compared to the recently reported value of 128 kJ mol-1 for the unimolecular reaction. We expect bimolecular reactions of carbene's stereoisomers will open a valuable field for new and useful synthetic strategies.

  9. Market reactions to the ECB's Comprehensive Assessment

    NARCIS (Netherlands)

    Sahin, Cenkhan; de Haan, Jakob

    Using an event study approach, we examine financial markets' reactions to the publication of the ECB's Comprehensive Assessment of banks in the euro area. Our results suggest that banks' stock market prices and CDS spreads generally showed no reaction. (C) 2015 Elsevier B.V. All rights reserved.

  10. Mechanism of the CO2-Ca(OH)2 reaction

    International Nuclear Information System (INIS)

    Chew, V.S.; Cheh, C.H.; Glass, R.W.

    1983-01-01

    Recent studies clearly showed the importance of moisture in achieving high Ca(OH) 2 absorbent utilization for removing CO 2 from gas streams at ambient temperatures. However, the role of moisture and the mechanism of the reaction was not well understood. This paper summarizes the results of a study of the mechanism of the CO 2 -Ca(OH) 2 reaction with emphasis on the role of moisture. The reaction between Ca(OH) 2 and CO 2 in moist N 2 was found to be first order with respect to the reactants with a rate constant of about 100 min -1 . At high humidities, the rate of reaction was chemically controlled, but at low humidities, the reaction rate was limited by the diffusion through the carbonate layer formed by the reaction. Calculations showed that capillary condensation could have occurred only in about 2% of the pore volume and was unlikely to have affected the reaction rate significantly by allowing the reaction to occur in the liquid phase. It was, therefore, concluded that the main role of moisture was to improve the Ca(OH) 2 utilization by lowering the resistance to diffusion through the carbonate layer

  11. Nuclear halo and its related reactions

    International Nuclear Information System (INIS)

    Zhang Huanqiao

    2005-01-01

    In order to search proton halo, the reaction cross sections of 27,28 P, 29 S and the corresponding isotones on Si target were measured at intermediate energies. The measured reaction cross sections of the N=12 and 13 isotones show an abrupt increase at Z=15. The experimental results for the isotones with Z=14 as well as 28 P can be well described by the modified Glauber theory of the optical limit approach. The enhancement of the reaction cross sections for 28 P could be explained in the modified Glauber theory with an enlarged core. Theoretical analysis with the modified Glauber theory of the optical limit and few-body approaches underpredicted the experimental data of 27 P. Our theoretical analysis shows that an enlarged core together with proton halo is probably the mechanism responsible for the enhancement of the cross sections for the reaction of 27 P+ 28 Si. In addition, we find from the experimental results that 29 S may have a moderate proton halo structure. Except the nuclei near or at drop-lines, halo may appear in the excited states of stable nuclei. By means of the asymptotic normalization coefficients (ANC's) extracted from transfer reactions of 11 B(d, p) 12 B, 12 C(d, p) 13 C, and H( 6 He, n) 6 Li, we have verified that the second ( Jπ = 2 - ) and third (Jπ = 1 - ) excited states in 12 B and the first (Jπ =1/2 + ) excited state in 13 C are the neutron halo states, while the second excited state (3.56 MeV, Jπ = 0 + ) in 6 Li is a proton-neutron halo state. We have proposed a procedure to extract the probability for valence particle being out of the binding potential from the measured nuclear asymptotic normalization coefficients. With this procedure, available data regarding the nuclear halo candidates are systematically analyzed and a number of halo nuclei are confirmed. Based on these results we have got a much relaxed condition for nuclear halo occurrence. Furthermore, we have presented the scaling laws for the dimensionless quantity 2 >/R 2 of

  12. Energy independent partial wave analysis of the reactions π+-p→Nππ between 1.36 and 1.76GeV c.m.s. energy

    International Nuclear Information System (INIS)

    Dolbeau, J.; Triantis, F.A.; Neveu, M.; Cadiet, F.

    1975-01-01

    A new partial wave analysis of the three reactions π - p→pπ - π 0 , π - p→nπ + π - , and π + p→pπ + π 0 is presented at nine c.m. energies between 1.36 and 1.76GeV, using about 91300 Nππ events. Within the framework of the generalized isobar model it is possible to describe the data with Δ, rho and sigma(ππ, i=0) production, as well as to reproduce the π - p→nπ 0 π 0 and π + p→nπ + π + cross sections. New prescriptions for the description of sigma and for the centrifugal barrier term are obtained. Furthermore, at the highest energy, there is evidence for N* production and for the presence of a ππ interaction, contributing about 5% to the cross sections of the reaction π - p→pπ - π 0 and π + p→pπ + π 0 . Finally, Argand plots are presented, showing the main inelastic couplings for ten resonances in this energy range [fr

  13. The analysis of B, C, N, and O by nuclear reactions

    International Nuclear Information System (INIS)

    Debras, G.; Deconninck, G.

    1979-01-01

    Nuclear reactions induced on light elements by lower energy deuterons are investigated. Differential cross section for 10 B(d,α 0 ) 8 Be, 10 B(d,α 1 ) 8 Be, 12 C(d,p 0 ) 13 C, 14 N(d,α 1 ) 12 C, 16 O(d,p 0 ) 17 O, 16 O(d,p 1 ) 17 O and 16 O(d,α 0 ) 14 N reactions are measured between 0.5 and 3 MeV at an observation angle of 135 0 with respect to the incident beam. Possible application of these reactions to the measurement of surface concentration is considered. Special emphasis was given on nitrogen determination in order to study nitrogen concentration in industrial glasses. Surface nitrogen repartition on glass, origin of nitrogen, influence of oxidizing and reducing conditions and glass structure are discussed. (author)

  14. New way for iron introduction in LDH matrix used as catalysts for Friedel–Crafts reactions

    Directory of Open Access Journals (Sweden)

    S. Kerchiche

    2017-02-01

    Full Text Available The alkylation of toluene, reaction employing benzyl chloride as the alkylating agent over basic hydrotalcite materials: Fe–Mg–Al-LDH prepared by different synthesis methods, including the method of co-precipitation, impregnation and a new method called the method of intercalation by anion exchange in the lamellar space of the host structure LDH. Our prepared solids were characterized by chemical analysis, XRD analysis, BET method and thermogravimetric analysis (TGA and tested in the alkylation of toluene by benzyl chloride reaction. Fe–Mg–Al-LDH clay without or with calcination (at 773 K has been investigated. The catalyst derived from the hydrotalcite by its calcination at 773 K shows high catalytic activity for the alkylation of toluene and other aromatic compounds. The catalytically active species present in the catalyst in its most active form are the oxides of iron on the catalyst surface.

  15. 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…

  16. Reactions the private life of atoms

    CERN Document Server

    Atkins, Peter

    2011-01-01

    Through an innovative, closely integrated design of images and text, and his characteristically clear, precise, and economical exposition, Peter Atkins explains the processes involved in chemical reactions. He begins by introducing a 'tool kit' of basic reactions, such as precipitation, corrosion, and catalysis, and concludes by showing how these building blocks are brought together in more complex processes such as photosynthesis.

  17. Postural reactions of girls and boys aged 12–15 years evaluated using the Romberg test

    Directory of Open Access Journals (Sweden)

    Jacek Wilczyński

    2016-07-01

    Full Text Available Introduction : The complex system controlling human posture includes a gaze stabilisation system, which comprises the control of direction and visual acuity during head and body movements, and a posture stabilisation system, keeping the body in balance at rest and in movement. Aim of the research: To analyse the postural reaction of SOX and SOY using the Romberg test with eyes open (EO and closed (CE in girls and boys aged 12–15 years. Material and methods : The study included 503 students of Primary School No. 13 and School No. 4 in Starachowice. Postural reactions were tested on a Cosmogamma platform by Emildue R50300. Postural reactions were analysed, and mean sway X (MSX and mean sway Y (MSY were calculated. Results: Analysis of variance showed significant differences of MSX only between girls and boys (p < 0.036. MSX was significantly lower in girls in both tests with EO and CE. Although there was no apparent significant difference of MSX between the Romberg test with EO and CE, a slight progression was observed in the test with CE. Analysis of variance of MSY with a single classification showed a significant effect of study options (p < 0.048, a significant interaction of gender and options of the study (p < 0.048, and a significant interaction of age and options of the study (p < 0.026. Analysis of variance of MSY showed a significant progression of MSY in the test with CE. Conclusions : Our research showed that balance with CE does not worsen, so it can be assumed that children have limited skills of using vision to maintain balance because there is a lack of appropriate coordination between vision and motor abilities, which in children are in development.

  18. Taste-Active Maillard Reaction Products in Roasted Garlic (Allium sativum).

    Science.gov (United States)

    Wakamatsu, Junichiro; Stark, Timo D; Hofmann, Thomas

    2016-07-27

    In order to gain first insight into candidate Maillard reaction products formed upon thermal processing of garlic, mixtures of glucose and S-allyl-l-cysteine, the major sulfur-containing amino acid in garlic, were low-moisture heated, and nine major reaction products were isolated. LC-TOF-MS, 1D/2D NMR, and CD spectroscopy led to their identification as acortatarin A (1), pollenopyrroside A (2), epi-acortatarin A (3), xylapyrroside A (4), 5-hydroxymethyl-1-[(5-hydroxymethyl-2-furanyl)methyl]-1H-pyrrole-2-carbalde-hyde (5), 3-(allylthio)-2-(2-formyl-5-hydroxymethyl-1H-pyrrol-1-yl)propanoic acid (6), (4S)-4-(allylthiomethyl)-3,4-dihydro-3-oxo-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde (7), (2R)-3-(allylthio)-2-[(4R)-4-(allylthiomethyl)-6-formyl-3-oxo-3,4-dihydropyrrolo-[1,2-a]pyrazin-2(1H)-yl]propanoic acid (8), and (2R)-3-(allylthio)-2-((4S)-4-(allylthiomethyl)-6-formyl-3-oxo-3,4-dihydropyrrolo-[1,2-a]pyrazin-2(1H)-yl)propanoic acid (9). Among the Maillard reaction products identified, compounds 5-9 have not previously been published. The thermal generation of the literature known spiroalkaloids 1-4 is reported for the first time. Sensory analysis revealed a bitter taste with thresholds between 0.5 and 785 μmol/kg for 1-5 and 7-9. Compound 6 did not show any intrinsic taste (water) but exhibited a strong mouthfullness (kokumi) enhancing activity above 186 μmol/kg. LC-MS/MS analysis showed 1-9 to be generated upon pan-frying of garlic with the highest concentration of 793.7 μmol/kg found for 6, thus exceeding its kokumi threshold by a factor of 4 and giving evidence for its potential taste modulation activity in processed garlic preparations.

  19. Medium effects in direct reactions

    International Nuclear Information System (INIS)

    Karakoc, M; Bertulani, C

    2013-01-01

    We discuss medium corrections of the nucleon-nucleon (NN) cross sections and their influence on direct reactions at intermediate energies ≳50 MeV/nucleon. The results obtained with free NN cross sections are compared with those obtained with a geometrical treatment of Pauli-blocking and Dirac-Bruecker methods. We show that medium corrections may lead to sizable modifications for collisions at intermediate energies and that they are more pronounced in reactions involving weakly bound nuclei.

  20. Transfusion reactions in pediatric compared with adult patients: a look at rate, reaction type, and associated products.

    Science.gov (United States)

    Oakley, Fredrick D; Woods, Marcella; Arnold, Shanna; Young, Pampee P

    2015-03-01

    The majority of reports on transfusion reactions address adult patients. Less is known about the types, incidence, and other clinical details of transfusion reactions in pediatric populations. Furthermore, to our knowledge, there have been no previous reports directly comparing these aspects between adults and pediatric patient populations to assess if there are differences. Between the period of January 1, 2011, and February 1, 2013, all reported adult and pediatric transfusion reactions at Vanderbilt University Medical Center (VUMC) were evaluated by transfusion medicine clinical service. The information was subsequently shared with the hemovigilance database. Data provided to hemovigilance included age, sex, blood product associated with the reaction, severity of the reaction, and the type of transfusion reactions. These were collated with hospital and blood bank information system-acquired data on overall admission and product transfusion. A total of 133,671 transfusions were performed at VUMC during the study period including 20,179 platelet (PLT) transfusions, 31,605 plasma transfusions, 79,933 red blood cell (RBC) transfusions, and 2154 cryoprecipitate transfusions. Over the same period, 108 pediatric and 277 adult transfusion reactions were recorded. This corresponds to an incidence of 6.2 reactions per 1000 transfusions within the pediatric (age reactions per 1000 transfusions within the adult population. In both adult and pediatric populations, transfusion reactions were most commonly associated with PLT, followed by RBC, and then plasma transfusions. Within the pediatric population, subset analysis identified multiple differences when compared to the adult population, including an increased incidence of allergic transfusion reactions (2.7/1000 vs. 1.1/1000, p reactions (1.9/1000 vs. 0.47/1000, p reactions (0.29/1000 vs. 0.078/1000, p reaction incidence was the same between sexes in adults, in pediatric patients, reactions were more common in male

  1. Rapid establishment of polymerase chain reaction-restriction ...

    African Journals Online (AJOL)

    RFLP) optimization reaction system for cpDNA in tea [Camellia sinensis (L.) O. Kuntze] was rapidly established. Results show that the optimal PCR reaction system was 100 ng template DNA, 200 μmolL-1 dNTPs, 1.5 mmolL-1 MgCl2, 50 ng primer, ...

  2. An integrated one-chip-sensor system for microRNA quantitative analysis based on digital droplet polymerase chain reaction

    Science.gov (United States)

    Tsukuda, Masahiko; Wiederkehr, Rodrigo Sergio; Cai, Qing; Majeed, Bivragh; Fiorini, Paolo; Stakenborg, Tim; Matsuno, Toshinobu

    2016-04-01

    A silicon microfluidic chip was developed for microRNA (miRNA) quantitative analysis. It performs sequentially reverse transcription and polymerase chain reaction in a digital droplet format. Individual processes take place on different cavities, and reagent and sample mixing is carried out on a chip, prior to entering each compartment. The droplets are generated on a T-junction channel before the polymerase chain reaction step. Also, a miniaturized fluorescence detector was developed, based on an optical pick-up head of digital versatile disc (DVD) and a micro-photomultiplier tube. The chip integrated in the detection system was tested using synthetic miRNA with known concentrations, ranging from 300 to 3,000 templates/µL. Results proved the functionality of the system.

  3. Reactions to abortion and subsequent mental health.

    Science.gov (United States)

    Fergusson, David M; Horwood, L John; Boden, Joseph M

    2009-11-01

    There has been continued interest in the extent to which women have positive and negative reactions to abortion. To document emotional reactions to abortion, and to examine the links between reactions to abortion and subsequent mental health outcomes. Data were gathered on the pregnancy and mental health history of a birth cohort of over 500 women studied to the age of 30. Abortion was associated with high rates of both positive and negative emotional reactions; however, nearly 90% of respondents believed that the abortion was the right decision. Analyses showed that the number of negative responses to the abortion was associated with increased levels of subsequent mental health disorders (Pabortion and reporting negative reactions had rates of mental health disorders that were approximately 1.4-1.8 times higher than those not having an abortion. Abortion was associated with both positive and negative emotional reactions. The extent of negative emotional reactions appeared to modify the links between abortion and subsequent mental health problems.

  4. Methanol conversion to light olefins over nanostructured CeAPSO-34 catalyst: Thermodynamic analysis of overall reactions and effect of template type on catalytic properties and performance

    Energy Technology Data Exchange (ETDEWEB)

    Aghamohammadi, Sogand [Chemical Engineering Faculty, Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of); Reactor and Catalysis Research Center (RCRC), Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of); Haghighi, Mohammad, E-mail: haghighi@sut.ac.ir [Chemical Engineering Faculty, Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of); Reactor and Catalysis Research Center (RCRC), Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of); Charghand, Mojtaba [Chemical Engineering Faculty, Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of); Reactor and Catalysis Research Center (RCRC), Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of)

    2014-02-01

    Graphical abstract: In this research nanostructured CeAPSO-34 was synthesized to explore the effect of TEAOH and morpholine on its physiochemical properties and MTO performance. Prepared catalysts were characterized with XRD, FESEM, BET, FTIR and NH3-TPD techniques. The results indicated that the nature of the template determines the physiochemical properties of CeAPSO-34 due to different rate of crystal growth. The catalyst obtained by using morpholine showed longer life time as well as sustaining light olefins selectivity at higher values. Furthermore, a comprehensive thermodynamic analysis of overall reactions network was carried out to address the major channels of methanol to olefins conversion. - Highlights: • Introduction of Ce into SAPO-34 framework. • Comparison of CeAPSO-34 synthesized using morpholine and TEAOH. • The nature of the template determines the physiochemical properties of CeAPSO-34. • Morpholine enhances catalyst lifetime in MTO process. • Presenting a complete reaction network for MTO process. - Abstract: TEAOH and morpholine were employed in synthesis of nanostructured CeAPSO-34 molecular sieve and used in methanol to olefins conversion. Prepared samples were characterized by XRD, FESEM, EDX, BET, FTIR and NH{sub 3}-TPD techniques. XRD patterns reflected the higher crystallinity of the catalyst synthesized with morpholine. The FESEM results indicated that the nature of the template determines the morphology of nanostructured CeAPSO-34 due to different rate of crystal growth. There was a meaningful difference in the strength of both strong and weak acid sites for CeAPSO-34 catalysts synthesized with TEAOH and morpholine templates. The catalyst synthesized with morpholine showed higher desorption temperature of both weak and strong acid sites evidenced by NH{sub 3}-TPD characterization. The catalyst obtained using morpholine template had the longer lifetime and sustained desired light olefins at higher values. A comprehensive

  5. Methanol conversion to light olefins over nanostructured CeAPSO-34 catalyst: Thermodynamic analysis of overall reactions and effect of template type on catalytic properties and performance

    International Nuclear Information System (INIS)

    Aghamohammadi, Sogand; Haghighi, Mohammad; Charghand, Mojtaba

    2014-01-01

    Graphical abstract: In this research nanostructured CeAPSO-34 was synthesized to explore the effect of TEAOH and morpholine on its physiochemical properties and MTO performance. Prepared catalysts were characterized with XRD, FESEM, BET, FTIR and NH3-TPD techniques. The results indicated that the nature of the template determines the physiochemical properties of CeAPSO-34 due to different rate of crystal growth. The catalyst obtained by using morpholine showed longer life time as well as sustaining light olefins selectivity at higher values. Furthermore, a comprehensive thermodynamic analysis of overall reactions network was carried out to address the major channels of methanol to olefins conversion. - Highlights: • Introduction of Ce into SAPO-34 framework. • Comparison of CeAPSO-34 synthesized using morpholine and TEAOH. • The nature of the template determines the physiochemical properties of CeAPSO-34. • Morpholine enhances catalyst lifetime in MTO process. • Presenting a complete reaction network for MTO process. - Abstract: TEAOH and morpholine were employed in synthesis of nanostructured CeAPSO-34 molecular sieve and used in methanol to olefins conversion. Prepared samples were characterized by XRD, FESEM, EDX, BET, FTIR and NH 3 -TPD techniques. XRD patterns reflected the higher crystallinity of the catalyst synthesized with morpholine. The FESEM results indicated that the nature of the template determines the morphology of nanostructured CeAPSO-34 due to different rate of crystal growth. There was a meaningful difference in the strength of both strong and weak acid sites for CeAPSO-34 catalysts synthesized with TEAOH and morpholine templates. The catalyst synthesized with morpholine showed higher desorption temperature of both weak and strong acid sites evidenced by NH 3 -TPD characterization. The catalyst obtained using morpholine template had the longer lifetime and sustained desired light olefins at higher values. A comprehensive thermodynamic

  6. Use of multiplex polymerase chain reaction-based assay to conduct epidemiological studies on bovine hemoparasites in Mexico.

    Science.gov (United States)

    Figueroa, J V; Alvarez, J A; Ramos, J A; Vega, C A; Buening, G M

    1993-01-01

    A study was conducted to test the applicability of a Polymerase Chain Reaction (PCR)-based approach for the simultaneous detection of the bovine hemoparasites Babesia bigemina, B. bovis and Anaplasma marginale. Bovine blood samples from cattle ranches of a previously determined enzootic zone in the Yucatan Peninsula of Mexico, were collected from peripheral blood and processed for PCR analysis. Blood samples were subjected to DNA amplification by placing an aliquot in a reaction tube containing oligonucleotide primers specific for DNA of each hemoparasite species. The PCR products were detected by Dot-Blot nucleic acid hybridization utilizing nonradioactive, species-specific, digoxigenin PCR-labeled DNA probes. Four hundred twenty one field samples analyzed by the multiplex PCR-DNA probe assay showed 66.7%, 60.1% and 59.6% prevalence rates for B. bigemina, B. bovis and A. marginale, respectively. The multiplex PCR analysis showed that animals with single, double or triple infection could be detected with the parasite specific DNA probes. The procedure is proposed as a valuable tool for the epidemiological analysis in regions where the hemoparasite species are concurrently infecting cattle.

  7. Products of aqueous vitamin B5 (pantothenic acid) formed by free radical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Schittl, H. [Section of Radiation Biology, Department of Nutritional Sciences, University of Vienna, Althanstr. 14, UZA II, A-1090 Vienna (Austria); Quint, R.M. [Section of Radiation Biology, Department of Nutritional Sciences, University of Vienna, Althanstr. 14, UZA II, A-1090 Vienna (Austria); Getoff, N. [Section of Radiation Biology, Department of Nutritional Sciences, University of Vienna, Althanstr. 14, UZA II, A-1090 Vienna (Austria)]. E-mail: nikola.getoff@univie.ac.at

    2007-10-15

    The radiolysis of aqueous vitamin B5 (pantothenic acid) has been investigated under various experimental conditions. The highest vitamin degradation (G=3.22) was observed in solutions saturated with N{sub 2}O, where 90% OH radicals are operating. As final products, the following were established: aldehydes, carboxylic acids and ammonia. Their yield strongly depends on the presence/absence of air as well as on N{sub 2}O (used to convert e{sub aq} {sup -} into OH) and was determined as a function of absorbed radiation dose. HPLC-analysis showed that in all media, a main product is formed, having the highest yield in aerated solutions. Based on the chemical analysis, it appears that the OH radicals are most involved in the degradation process. A precise sequence of the reaction steps could not be given presently, because of the implication of many simultaneous reactions.

  8. Numerical analysis of MHD Carreau fluid flow over a stretching cylinder with homogenous-heterogeneous reactions

    Science.gov (United States)

    Khan, Imad; Ullah, Shafquat; Malik, M. Y.; Hussain, Arif

    2018-06-01

    The current analysis concentrates on the numerical solution of MHD Carreau fluid flow over a stretching cylinder under the influences of homogeneous-heterogeneous reactions. Modelled non-linear partial differential equations are converted into ordinary differential equations by using suitable transformations. The resulting system of equations is solved with the aid of shooting algorithm supported by fifth order Runge-Kutta integration scheme. The impact of non-dimensional governing parameters on the velocity, temperature, skin friction coefficient and local Nusselt number are comprehensively delineated with the help of graphs and tables.

  9. Benchmark experiments at ASTRA facility on definition of space distribution of 235U fission reaction rate

    International Nuclear Information System (INIS)

    Bobrov, A. A.; Boyarinov, V. F.; Glushkov, A. E.; Glushkov, E. S.; Kompaniets, G. V.; Moroz, N. P.; Nevinitsa, V. A.; Nosov, V. I.; Smirnov, O. N.; Fomichenko, P. A.; Zimin, A. A.

    2012-01-01

    Results of critical experiments performed at five ASTRA facility configurations modeling the high-temperature helium-cooled graphite-moderated reactors are presented. Results of experiments on definition of space distribution of 235 U fission reaction rate performed at four from these five configurations are presented more detail. Analysis of available information showed that all experiments on criticality at these five configurations are acceptable for use them as critical benchmark experiments. All experiments on definition of space distribution of 235 U fission reaction rate are acceptable for use them as physical benchmark experiments. (authors)

  10. Experimental investigation of solid sodium-water reaction: tests results and phenomenological analysis

    International Nuclear Information System (INIS)

    Daudin, K.; Beauchamp, F.; Proust, C.

    2014-01-01

    Sodium-Water Reaction (SWR) is an issue one has to be capable to deal with for the next generation of nuclear reactors (SFR for GEN IV). The background of these experiments is the improvement of safety demonstration regarding SWR in an open volume. This experimental campaign is conducted at the CEA Cadarache inside a cylindrical reactor filled with inert gas. The sodium is inside a loading pot and water comes into contact by immersion. SWR and its physical effects are followed by different pressure and temperature sensors. The results show a limit to the overpressure increasing sodium mass. Global assessment of physical effects of SWR contributes to put forward the relative nature of phenomena with geometric configuration, and the importance of scale effects. (authors)

  11. An attributional analysis of reactions to poverty: the political ideology of the giver and the perceived morality of the receiver.

    Science.gov (United States)

    Weiner, Bernard; Osborne, Danny; Rudolph, Udo

    2011-05-01

    An attributional analysis of reactions to poverty is presented. The article begins by discussing the perceived causes of poverty and their taxonomic properties (locus, stability, and controllability). One antecedent of causal beliefs, political ideology, is then examined in detail, followed by a review of the effects of causal beliefs on emotions and behavior. It is contended that helping the poor is a moral issue, but the moral evaluation concerns the targeted recipient of aid rather than the potential help giver. Persons perceived as responsible for their plight, a dominant construal for conservatives, elicit anger and neglect. In contrast, those seen as not responsible for their financial hardship, an outlook predominantly endorsed by liberals, arouse sympathy and help giving. Sympathy is the most important proximal determinant of aid. This analysis is extended to reactions to achievement failure, abortion, and rape. Policy implications are also examined.

  12. Time-reversal asymmetry: polarization and analyzing power in nuclear reactions

    International Nuclear Information System (INIS)

    Rioux, C.; Roy, R.; Slobodrian, R.J.; Conzett, H.E.

    1984-01-01

    Measurements of the proton polarization in the reactions 7 Li( 3 He, p vector) 9 Be and 9 Be( 3 He, p vector) 11 B and of the analyzing powers in the inverse reactions, initiated by polarized protons at the same center-of-mass energies, show significant differences. This implies the failure of the polarization-analyzing-power theorem and, prima facie, of time-reversal invariance in these reactions. The reaction 2 H( 3 He, p vector) 4 He and its inverse have also been investigated and show smaller differences. A discussion of instrumental asymmetries is presented

  13. Time asymmetry: Polarization and analyzing power in the nuclear reactions

    International Nuclear Information System (INIS)

    Rioux, C.; Roy, R.; Slobodrian, R.J.; Conzett, H.E.

    1983-01-01

    Measurements of the proton polarization in the reactions 7 Li( 3 He, p vector) 9 Be and 9 Be( 3 He, p vector) 11 B and of the analyzing powers of the inverse reactions, initiated by polarized protons at the same c.m. energies, show significant differences which imply the failure of the polarization-analyzing-power theorem and, prima facie, of time-reversal invariance in these reactions. The reaction 2 H( 3 He, p vector) 4 He and its inverse have also been investigated and show some smaller differences. A discussion of the instrumental asymmetries is presented. (orig.)

  14. Study of transfer reactions ({alpha},t), ({alpha},{sup 3}He) in the f-p shell: mechanism and spectroscopic use; Etude des reactions de transfert ({alpha},t), ({alpha},{sup 3}He) dans la couche f-p mecanisme et utilisation spectroscopique

    Energy Technology Data Exchange (ETDEWEB)

    Roussel, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1968-05-01

    We describe an experimental study of ({alpha},t), ({alpha},{sup 3}He) reactions at 44 MeV using a solid-state identifier, on the target-nuclei {sup 54}Fe and {sup 58,60,62,64}Ni. A critical study of optical model and of disturbed wave analysis has been performed. We show the complementarity of different transfer-reactions, the ambiguity of spectroscopic factors, the importance of the problem of the reaction mechanism. (author) [French] On decrit une etude experimentale des reactions ({alpha},t), ({alpha},{sup 3}He) a 44 MeV utilisant un systeme identificateur de particules sur les noyaux-cibles {sup 54}Fe et {sup 58,60,62,64}Ni. Une etude critique de modele optique et d'analyse en ondes deformees (D.W.B.A.) a ete entreprise. On montre la complementarite des differentes reactions de transfert, l'ambiguite des facteurs spectroscopiques, l'importance du probleme du mecanisme. (auteur)

  15. Direct and Indirect Determinations of Elementary Rate Constants H + O2: Chain Branching; the Dehydration of tertiary-Butanol; the Retro Diels-Alder Reaction of Cyclohexene; the Dehydration of Isopropanol

    Science.gov (United States)

    Heyne, Joshua S.

    Due to growing environmental concern over the continued use of fossil fuels, methods to limit emissions and partially replace fossil fuel use with renewable biofuels are of considerable interest. Developing chemical kinetic models for the chemistry that affects combustion properties is important to understanding how new fuels affect combustion energy conversion processes in transportation devices. This thesis reports the experimental study of several important reactions (the H + O2 branching reaction, the key decomposition reactions of tertiary-butanol, the dehydration reaction of isopropanol, and the retro Diels-Alder reaction of cyclohexene) and develops robust analysis methods to estimate the absolute uncertainties of specific elementary rate constants derived from the experimental data. In the study of the above reactions, both a direct and indirect rate constant determination technique with associated uncertainty estimation methodologies are developed. In the study of the decomposition reactions, a direct determination technique is applied to experimental data gathered in preparation of this thesis. In the case of the dehydration reaction of tertiary-butanol and the retro Diels-Alder reaction of cyclohexene, both of which are used as internal standards for relative rate studies (Herzler et al. 1997) and chemical thermometry (Rosado-Reyes et al. 2013) , analysis showed an ˜20 K difference in the reaction rate between the reported results and the previous recommendations. In light of these discrepancies, an uncertainty estimation of previous recommendations illuminated an uncertainty of at least 20 K for the dehydration reaction of tertiary-butanol and the retro Diels-Alder reaction of cyclohexene, thus resolving the discrepancies. The determination of the H + O2 branching reaction and decomposition reactions of isopropanol used an indirect determination technique. The uncertainty of the H + O2 branching reaction rate is shown to be underestimated by previous

  16. Kinetic concepts of thermally stimulated reactions in solids

    Science.gov (United States)

    Vyazovkin, Sergey

    Historical analysis suggests that the basic kinetic concepts of reactions in solids were inherited from homogeneous kinetics. These concepts rest upon the assumption of a single-step reaction that disagrees with the multiple-step nature of solid-state processes. The inadequate concepts inspire such unjustified anticipations of kinetic analysis as evaluating constant activation energy and/or deriving a single-step reaction mechanism for the overall process. A more adequate concept is that of the effective activation energy, which may vary with temperature and extent of conversion. The adequacy of this concept is illustrated by literature data as well as by experimental data on the thermal dehydration of calcium oxalate monohydrate and thermal decomposition of calcium carbonate, ammonium nitrate and 1,3,5,7- tetranitro-1,3,5,7-tetrazocine.

  17. Uranium/water vapor reactions in gaseous atmospheres

    International Nuclear Information System (INIS)

    Jackson, R.L.; Condon, J.B.; Steckel, L.M.

    1977-07-01

    Experiments have been performed to determine the effect of varying humidities, gaseous atmospheres, and temperatures on the uranium/water vapor reaction. A balance, which allowed continuous in-system weighings, was used to determine the rates of the uranium/water vapor reactions at water vapor pressures of 383, 1586, and 2853 Pa and at temperatures of 80, 100, and 150 0 C in atmospheres of hydrogen, argon, or argon/oxygen mixtures. Based on rate data, the reactions were characterized as hydriding or nonhydriding. Hydriding reactions were found to be preferred in moist hydrogen systems at the higher temperatures and the lower humidities. The presence of hydrogen in hydriding systems was found to initially inhibit the reaction, but causes an acceleration of the rate in the final stages. In general, reaction rates of hydriding systems approached the hydriding rates calculated and observed in dry hydrogen. Hydriding and nonhydriding reaction rates showed a positive correlation to temperature and water vapor pressure. Final reaction rates in moist argon/oxygen mixtures of 1.93, 4.57, and 9.08 mole percent oxygen were greater than the rates observed in moist hydrogen or argon. Final reaction rates were negatively correlated to the oxygen concentration

  18. Thermodynamics of random reaction networks.

    Science.gov (United States)

    Fischer, Jakob; Kleidon, Axel; Dittrich, Peter

    2015-01-01

    Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha) and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.

  19. C—C bond formation in the intramolecular Diels-Alder reaction of triene amides

    Directory of Open Access Journals (Sweden)

    Abdelilah Benallou

    2018-02-01

    Full Text Available The mechanism nature of the intramolecular Diels–Alder reaction has been performed; and thus, the changes of C—C bond forming/breaking along IRC are characterized in this study. Conceptual DFT analyses of the most favorable adduct fused/exo shows that the flux electronic will take place from diene to dienophile moiety. Moreover, ELF topological analysis based on the electron density predicts that C—C bond is formed by the coupling of two pseudoradical centers generated at the most significant atoms of the molecules. However, C2 vs C3, also C1 and C4 interaction comes mainly from the global electron density transfer which takes place along the reaction. Two- stage one-step is the proposed mechanism of this reaction, the first stage aims for the formation of C2—C3 σ bond while the second stage aims for C1—C4 σ bond formation. Interestingly, the observed asynchronicity of this IMDA reaction due principally to the asymmetric reorganization of electron density at the most attractive centers.

  20. C-C bond formation in the intramolecular Diels-Alder reaction of triene amides.

    Science.gov (United States)

    Benallou, Abdelilah; El Alaoui El Abdallaoui, Habib; Garmes, Hocine

    2018-02-01

    The mechanism nature of the intramolecular Diels-Alder reaction has been performed; and thus, the changes of C-C bond forming/breaking along IRC are characterized in this study. Conceptual DFT analyses of the most favorable adduct fused/exo shows that the flux electronic will take place from diene to dienophile moiety. Moreover, ELF topological analysis based on the electron density predicts that C-C bond is formed by the coupling of two pseudoradical centers generated at the most significant atoms of the molecules. However, C2 vs C3, also C1 and C4 interaction comes mainly from the global electron density transfer which takes place along the reaction. Two- stage one-step is the proposed mechanism of this reaction, the first stage aims for the formation of C2-C3 σ bond while the second stage aims for C1-C4 σ bond formation. Interestingly, the observed asynchronicity of this IMDA reaction due principally to the asymmetric reorganization of electron density at the most attractive centers.

  1. Studies on electron transfer reactions of Keggin-type mixed ...

    Indian Academy of Sciences (India)

    Administrator

    (PV2) in aqueous phosphate buffer of pH 6 at ambient temperature. Electrochemical and optical studies show that the stoichiometry of the reaction is 1: 2 (NADH : HPA). EPR and optical studies show that HPA act as one electron acceptor and the products of electron transfer reactions are one elec- tron reduced heteropoly ...

  2. A moment-convergence method for stochastic analysis of biochemical reaction networks.

    Science.gov (United States)

    Zhang, Jiajun; Nie, Qing; Zhou, Tianshou

    2016-05-21

    Traditional moment-closure methods need to assume that high-order cumulants of a probability distribution approximate to zero. However, this strong assumption is not satisfied for many biochemical reaction networks. Here, we introduce convergent moments (defined in mathematics as the coefficients in the Taylor expansion of the probability-generating function at some point) to overcome this drawback of the moment-closure methods. As such, we develop a new analysis method for stochastic chemical kinetics. This method provides an accurate approximation for the master probability equation (MPE). In particular, the connection between low-order convergent moments and rate constants can be more easily derived in terms of explicit and analytical forms, allowing insights that would be difficult to obtain through direct simulation or manipulation of the MPE. In addition, it provides an accurate and efficient way to compute steady-state or transient probability distribution, avoiding the algorithmic difficulty associated with stiffness of the MPE due to large differences in sizes of rate constants. Applications of the method to several systems reveal nontrivial stochastic mechanisms of gene expression dynamics, e.g., intrinsic fluctuations can induce transient bimodality and amplify transient signals, and slow switching between promoter states can increase fluctuations in spatially heterogeneous signals. The overall approach has broad applications in modeling, analysis, and computation of complex biochemical networks with intrinsic noise.

  3. A moment-convergence method for stochastic analysis of biochemical reaction networks

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jiajun [School of Mathematics and Computational Science, Sun Yat-Sen University, Guangzhou 510275 (China); Nie, Qing [Department of Mathematics, University of California at Irvine, Irvine, California 92697 (United States); Zhou, Tianshou, E-mail: mcszhtsh@mail.sysu.edu.cn [School of Mathematics and Computational Science, Sun Yat-Sen University, Guangzhou 510275 (China); Guangdong Province Key Laboratory of Computational Science and School of Mathematics and Computational Science, Sun Yat-Sen University, Guangzhou 510275 (China)

    2016-05-21

    Traditional moment-closure methods need to assume that high-order cumulants of a probability distribution approximate to zero. However, this strong assumption is not satisfied for many biochemical reaction networks. Here, we introduce convergent moments (defined in mathematics as the coefficients in the Taylor expansion of the probability-generating function at some point) to overcome this drawback of the moment-closure methods. As such, we develop a new analysis method for stochastic chemical kinetics. This method provides an accurate approximation for the master probability equation (MPE). In particular, the connection between low-order convergent moments and rate constants can be more easily derived in terms of explicit and analytical forms, allowing insights that would be difficult to obtain through direct simulation or manipulation of the MPE. In addition, it provides an accurate and efficient way to compute steady-state or transient probability distribution, avoiding the algorithmic difficulty associated with stiffness of the MPE due to large differences in sizes of rate constants. Applications of the method to several systems reveal nontrivial stochastic mechanisms of gene expression dynamics, e.g., intrinsic fluctuations can induce transient bimodality and amplify transient signals, and slow switching between promoter states can increase fluctuations in spatially heterogeneous signals. The overall approach has broad applications in modeling, analysis, and computation of complex biochemical networks with intrinsic noise.

  4. Glycerol acetals, kinetic study of the reaction between glycerol and formaldehyde

    International Nuclear Information System (INIS)

    Agirre, I.; Garcia, I.; Requies, J.; Barrio, V.L.; Gueemez, M.B.; Cambra, J.F.; Arias, P.L.

    2011-01-01

    The acetalization reaction between glycerol and formaldehyde using Amberlyst 47 acidic ion exchange resin was studied. These acetals can be obtained from renewable sources (bioalcohols and bioalcohol derived aldehydes) and seem to be good candidates for different applications such as oxygenated diesel additives. A preliminary kinetic study was performed in a batch stirred tank reactor studying the influence of different process parameters like temperature, feed composition and the stirring speed. A pseudo homogenous kinetic model able to explain the reaction mechanism was adjusted. Thus, the corresponding order of reaction was determined. Amberlyst 47 acidic ion exchange resin showed a fairly good behavior allowing 100% of selectivity towards acetals formation. However, the studied acetalization reaction showed high thermodynamic limitations achieving glycerol conversions around 50% using a stoichiometric feed ratio at 353 K. The product is a mixture of two isomers (1,3-Dioxan-5-ol and 1,3-dioxolane-4-methanol) and the conversion of 1,3-dioxolane-4-methanol into 1,3-Dioxan-5-ol was also observed. -- Highlights: → The reaction between glycerol and acetaldehyde shows thermodynamic limitations. → Amberlyst 47 ion exchange resins show 100% of selectivity. → A pseudo-homogeneous kinetic model is able to predict the reaction progress. → Isomerization reactions were observed from dioxalanes to dioxanes.

  5. Competitive Reactions to Advertising and Promotion Attacks

    OpenAIRE

    Jan-Benedict E. M. Steenkamp; Vincent R. Nijs; Dominique M. Hanssens; Marnik G. Dekimpe

    2005-01-01

    How do competitors react to each other's price-promotion and advertising attacks? What are the reasons for the observed reaction behavior? We answer these questions by performing a large-scale empirical study on the short-run and long-run reactions to promotion and advertising shocks in over 400 consumer product categories over a four-year time span. Our results clearly show that the most predominant form of competitive response is passive in nature. When a reaction does occur, it is usually ...

  6. Evaluation of the single radiosensitivity in patients subjected to medical exposure that show severe skin reactions

    International Nuclear Information System (INIS)

    Di Giorgio, M.; Vallerga, M.B.; Portas, M.; Perez, M.R.

    2006-01-01

    The Burnt Hospital of the Buenos Aires City Government (HQGCBA) it is a hospital of reference of the Net of Medical Responses in Radiological Emergencies of the Argentine Republic. In the mark of an agreement among the HQGCBA and the Authority Regulatory Nuclear (ARN), it is in execution a study protocol for the one boarding diagnoses and therapeutic of radioinduced cutaneous leisure. They exist individual variations that can condition the response to the ionizing radiations (IR), so much in accidental exposures as having programmed (radiotherapy, radiology interventionist). In this context, the individual radiosensitivity is evaluated in the patients signed up in this protocol that presented sharp or late cutaneous reactions, with grades of severity 3-4 (approaches EORTC/RTOG). The capacity of repair of the DNA was evaluated in outlying blood lymphocytes irradiated in vitro (2 Gy, gamma of Co-60) by means of the micronucleus techniques and comet essay in alkaline conditions. In this work two cases in those that is applied this study protocol, the therapeutic answer and its correlate with the discoveries of the radiosensitivity tests is presented. Case 1: patient of feminine sex, subjected to external radiotherapy by a breast infiltrating ductal carcinoma; developed sharp cutaneous radiotoxicity grade 3 (confluent humid epithelitis) that motivate the interruption of the treatment. Case 2: patient of masculine sex, subjected to a coronary angioplasty (interventionist radiology); developed late cutaneous radiotoxicity grade 4 (ulceration in dorsal region). Both patients were treated with topical trolamine associated to systemic administration of pentoxiphiline and antioxidants. The therapeutic answer is evaluated by means of clinical pursuit, photographic serial register and complementary exams (thermography and ultrasonography of high frequency). In the case 1 the answer was very favorable, with precocious local improvement and complete remission of symptoms and

  7. A rolling constraint reproduces ground reaction forces and moments in dynamic simulations of walking, running, and crouch gait.

    Science.gov (United States)

    Hamner, Samuel R; Seth, Ajay; Steele, Katherine M; Delp, Scott L

    2013-06-21

    Recent advances in computational technology have dramatically increased the use of muscle-driven simulation to study accelerations produced by muscles during gait. Accelerations computed from muscle-driven simulations are sensitive to the model used to represent contact between the foot and ground. A foot-ground contact model must be able to calculate ground reaction forces and moments that are consistent with experimentally measured ground reaction forces and moments. We show here that a rolling constraint can model foot-ground contact and reproduce measured ground reaction forces and moments in an induced acceleration analysis of muscle-driven simulations of walking, running, and crouch gait. We also illustrate that a point constraint and a weld constraint used to model foot-ground contact in previous studies produce inaccurate reaction moments and lead to contradictory interpretations of muscle function. To enable others to use and test these different constraint types (i.e., rolling, point, and weld constraints) we have included them as part of an induced acceleration analysis in OpenSim, a freely-available biomechanics simulation package. Copyright © 2013 Elsevier Ltd. All rights reserved.

  8. Medication Desensitization: Characterization of Outcomes and Risk Factors for Reactions.

    Science.gov (United States)

    Murray, Taryn S; Rice, Todd W; Wheeler, Arthur P; Phillips, Elizabeth J; Dworski, Ryszard T; Stollings, Joanna L

    2016-03-01

    Although its mechanisms are poorly understood, desensitization has been used to induce a temporary state of immune unresponsiveness in patients who have IgE-, non-IgE-, or pharmacologically mediated reactions when a drug has no alternatives. The purpose of this study was to characterize the outcomes and identify risk factors for reactions during drug desensitization. A retrospective review of electronic medical records of adult patients undergoing drug desensitization from January 1, 2011, to December 31, 2013, was conducted in 2 intensive care units at a tertiary medical center. We used multivariate analysis to determine if specified risk factors were associated with reacting during the desensitization. Reactions were classified according to the pretest probability prior to desensitization, and then, reactions during desensitization were classified based on the occurrence of cutaneous reactions as follows: successful with no reaction, mild reaction, moderate reaction, or failed. Failure could result from any systemic allergic or cutaneous reaction resulting in procedure termination. The desensitizations were also assessed to determine if the patient required de-escalation secondary to a reaction. A total of 88 desensitizations were performed in 69 patients. Desensitization was completed with no cutaneous reaction in 85% of patients. No baseline characteristic, medication class (P = 0.46), or indication for desensitization (P = 0.59) was associated with having a reaction. Reported histories of urticaria (P desensitization. However, neither history of urticaria nor labored breathing was independently associated with having a reaction in multivariate analysis (OR = 0.979, 95% CI = 0.325-2.952, P = 0.970, and OR = 1.626, 95% CI = 0.536-4.931, P = 0.739, respectively). Drug desensitization is safe for patients who have no alternative for therapy. Reported allergy histories of urticaria and labored breathing are both associated with having a reaction during the

  9. Assessment of competing reaction effect on results of activation analysis with use of water-cooled and water-moderated reactor neutron fields

    International Nuclear Information System (INIS)

    Avsaragov, Kh.B.; Toichkin, A.N.; Lobov, A.N.

    1988-01-01

    Effect of competing threshold reactions on results of neutron activation analysis (NAA) using WWER-440 reactor is investigated. (n,p) and (n,α) fast neutron and 232 Th (n,f), 235 U(n,f), 238 U(n,f) fast and thermal neutron processes are considered as competing ones. Contribution of competing reactions when determining Na, Mn, Sc, Fe, Cu, Y for the core channels of in-core monitoring and ionization chamber ring water protection is experimentally evaluated using a spectrometer with Ge(Li) detector in a set with AI-4096 analyser. Under rigid neutron fields interfering activity increases at the expense of thorium and uranium atom fission. It is stressed that when determining Zr, Mo, Ru, Ba, La, Ce, Nd contribution of fission reaction products can appear to be sufficient

  10. Inflammatory reaction in chondroblastoma

    International Nuclear Information System (INIS)

    Yamamura, Sigeki; Sato, Keiji; Sugiura, Hideshi; Iwata, Hisashi

    1996-01-01

    The objective of this study was to evaluate the inflammatory reaction accompanying chondroblastoma and to define the value of the finding in clinical practice. We reviewed the clinical, radiographic, and magnetic resonance (MR) findings in six patients with histologically proven chondroblastoma. In all cases, MR imaging showered marrow and soft tissue edema. In four of six cases, periosteal reaction related to intra-osseous edema was more clearly demonstrated on MR imaging than on radiographs. Follow-up MR studies after surgery were available in three patients and all showed disappearance of inflammatory responses such as marrow and soft tissue edema, and reactive synovitis. We propose that these inflammatory reactions of chondroblastomas are inportant signs for detecting residual tumor in recurrences after surgery, as well as for making a precise diagnosis. The MR changes may also be valuable in demonstrating eradication of the tumor. (orig./MG)

  11. Inflammatory reaction in chondroblastoma

    Energy Technology Data Exchange (ETDEWEB)

    Yamamura, Sigeki [Dept. of Orthopedic Surgery, Nagoya Univ. School of Medicine (Japan); Sato, Keiji [Dept. of Orthopedic Surgery, Nagoya Univ. School of Medicine (Japan); Sugiura, Hideshi [Dept. of Orthopedic Surgery, Nagoya Univ. School of Medicine (Japan); Iwata, Hisashi [Dept. of Orthopedic Surgery, Nagoya Univ. School of Medicine (Japan)

    1996-05-01

    The objective of this study was to evaluate the inflammatory reaction accompanying chondroblastoma and to define the value of the finding in clinical practice. We reviewed the clinical, radiographic, and magnetic resonance (MR) findings in six patients with histologically proven chondroblastoma. In all cases, MR imaging showered marrow and soft tissue edema. In four of six cases, periosteal reaction related to intra-osseous edema was more clearly demonstrated on MR imaging than on radiographs. Follow-up MR studies after surgery were available in three patients and all showed disappearance of inflammatory responses such as marrow and soft tissue edema, and reactive synovitis. We propose that these inflammatory reactions of chondroblastomas are inportant signs for detecting residual tumor in recurrences after surgery, as well as for making a precise diagnosis. The MR changes may also be valuable in demonstrating eradication of the tumor. (orig./MG)

  12. 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....

  13. Analysis of Reaction between α-Lipoic Acid and 2-Chloro-1-methylquinolinium Tetrafluoroborate Used as a Precolumn Derivatization Technique in Chromatographic Determination of α-Lipoic Acid

    Directory of Open Access Journals (Sweden)

    Magdalena Godlewska

    2015-01-01

    Full Text Available The present study offers results of analysis concerning the course of reaction between reduced α-lipoic acid (LA and 2-chloro-1-methylquinolinium tetrafluoroborate (CMQT. In water environments, the reaction between CMQT and hydrophilic thiols proceeds very rapidly and the resultant products are stable. For the described analysis, optimum reaction conditions, such as concentration of the reducing agent, environment pH, and concentration of the reagent were carefully selected. The spectrophotometric assay was carried out measuring absorbance at λ=348 nm (i.e., the spectral band of the obtained reaction product. Furthermore, the calibration curve of lipoic acid was registered. It was concluded that the Lambert-Beer law was observed within the range 1–10 μmol L−1. Later, the reaction between LA and CMQT was used as precolumn derivatization in a chromatographic determination of the lipoic acid in the range 2.5–50 μmol L−1. Practical applicability of the designed methods was evaluated by determining lipoic acid in Revitanerv pharmaceutical preparation which contains 300 mg LA in a single capsule. The error of the determination did not exceed 0.5% in relation to the declared value.

  14. Hydroxyurea reaction with HNO2 and Pu(III) stabilization

    International Nuclear Information System (INIS)

    Zhu Zhaowu; He Jianyu; Zhang Zefu; Zheng Weifang; Song Tianbao; Lin Min

    2004-01-01

    Reaction kinetics of hydroxyurea (HU) with HNO 2 in nitric acid solution is studied. The results show that the reaction rate follows the equation as: -dc(HNO 2 )/dt=k 0 c(HNO 2 )c 1.1 (HNO 3 ) c 0 (HU), where k 0 =(0.18±0.01)L 1.1 ·mol -1.1 ·s -1 at 10 degree C and c(HNO 2 )=5 mmol/L; the activation energy is deduced to be about 63 kJ/mol. The reaction appears zero order relative to HU. Kinetic study performed at various NaNO 3 solutions shows that salt ions have little effect on the reaction rate. Excess HU can stabilize Pu(III) well in nitric solutions

  15. High throughput reaction screening using desorption electrospray ionization mass spectrometry.

    Science.gov (United States)

    Wleklinski, Michael; Loren, Bradley P; Ferreira, Christina R; Jaman, Zinia; Avramova, Larisa; Sobreira, Tiago J P; Thompson, David H; Cooks, R Graham

    2018-02-14

    We report the high throughput analysis of reaction mixture arrays using methods and data handling routines that were originally developed for biological tissue imaging. Desorption electrospray ionization (DESI) mass spectrometry (MS) is applied in a continuous on-line process at rates that approach 10 4 reactions per h at area densities of up to 1 spot per mm 2 (6144 spots per standard microtiter plate) with the sprayer moving at ca. 10 4 microns per s. Data are analyzed automatically by MS using in-house software to create ion images of selected reagents and products as intensity plots in standard array format. Amine alkylation reactions were used to optimize the system performance on PTFE membrane substrates using methanol as the DESI spray/analysis solvent. Reaction times can be screening of processes like N -alkylation and Suzuki coupling reactions as reported herein. Products and by-products were confirmed by on-line MS/MS upon rescanning of the array.

  16. Comparison of cross sections for C+O reactions in the second regime of complete fusion

    International Nuclear Information System (INIS)

    Beck, C.; Haas, F.; Freeman, R.M.; Heusch, B.; Coffin, J.P.; Guillaume, G.; Rami, F.; Wagner, P.

    1985-01-01

    Kinetic energy spectra, angular distributions, and elemental yield distributions have been measured for the 12 C + 16 O, 12 C + 18 O and 13 C + 17 O reaction products over an energy range from 2 to 7 times the Coulomb barrier energy. A careful kinematic analysis of the evaporation residues and comparisons with statistical model calculations show that fusion proceeds with full momentum transfer followed by a statistical decay of the compound nucleus. The competition between complete fusion process and peripheral reactions in the 12 C + 16 O system is less important than for the 12 C + 18 O and 13 C + 17 O reactions. The unexpectedly high 12 C + 16 O complete fusion cross sections are related to the possible occurence of a superdeformation of the 28 Si compound nucleus

  17. The produsing expert consumer: Co-constructing, resisting and accepting health-related claims on social media in response to an infotainment show about food.

    Science.gov (United States)

    Declercq, Jana; Tulkens, Stéphan; Van Leuven, Sarah

    2018-03-01

    This article examines the Twitter and Facebook uptake of health messages from an infotainment TV show on food, as broadcasted on Belgium's Dutch-language public broadcaster. The interest in and amount of health-related media coverage is rising, and this media coverage is an important source of information for laypeople, and impacts their health behaviours and therapy compliance. However, the role of the audience has also changed; consumers of media content increasingly are produsers, and, in the case of health, expert consumers. To explore how current audiences react to health claims, we have conducted a quantitative and qualitative content analysis of Twitter and Facebook reactions to an infotainment show about food and nutrition. We examine (1) to which elements in the show the audience reacts, to gain insight in the traction the nutrition-related content generates and (2) whether audience members are accepting or resisting the health information in the show. Our findings show that the information on health and production elicit the most reactions, and that health information incites a lot of refutation, low acceptance and a lot of suggestions on new information or new angles to complement the show's information.

  18. Public reactions to e-cigarette regulations on Twitter: a text mining analysis.

    Science.gov (United States)

    Lazard, Allison J; Wilcox, Gary B; Tuttle, Hannah M; Glowacki, Elizabeth M; Pikowski, Jessica

    2017-12-01

    In May 2016, the Food and Drug Administration (FDA) issued a final rule that deemed e-cigarettes to be within their regulatory authority as a tobacco product. News and opinions about the regulation were shared on social media platforms, such as Twitter, which can play an important role in shaping the public's attitudes. We analysed information shared on Twitter for insights into initial public reactions. A text mining approach was used to uncover important topics among reactions to the e-cigarette regulations on Twitter. SAS Text Miner V.12.1 software was used for descriptive text mining to uncover the primary topics from tweets collected from May 1 to May 17 2016 using NUVI software to gather the data. A total of nine topics were generated. These topics reveal initial reactions to whether the FDA's e-cigarette regulations will benefit or harm public health, how the regulations will impact the emerging e-cigarette market and efforts to share the news. The topics were dominated by negative or mixed reactions. In the days following the FDA's announcement of the new deeming regulations, the public reaction on Twitter was largely negative. Public health advocates should consider using social media outlets to better communicate the policy's intentions, reach and potential impact for public good to create a more balanced conversation. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

  19. SiC Conversion Coating Prepared from Silica-Graphite Reaction

    Directory of Open Access Journals (Sweden)

    Back-Sub Sung

    2017-01-01

    Full Text Available The β-SiC conversion coatings were successfully synthesized by the SiO(v-graphite(s reaction between silica powder and graphite specimen. This paper is to describe the effects on the characteristics of the SiC conversion coatings, fabricated according to two different reaction conditions. FE-SEM, FE-TEM microstructural morphologies, XRD patterns, pore size distribution, and oxidation behavior of the SiC-coated graphite were investigated. In the XRD pattern and SAD pattern, the coating layers showed cubic SiC peak as well as hexagonal SiC peak. The SiC coatings showed somewhat different characteristics with the reaction conditions according to the position arrangement of the graphite samples. The SiC coating on graphite, prepared in reaction zone (2, shows higher intensity of beta-SiC main peak (111 in XRD pattern as well as rather lower porosity and smaller main pore size peak under 1 μm.

  20. Alpha-induced reaction cross section measurements on 151Eu for the astrophysical γ-process

    International Nuclear Information System (INIS)

    Gyuerky, Gy.; Elekes, Z.; Farkas, J.; Fueloep, Zs.; Halasz, Z.; Kiss, G.G.; Somorjai, E.; Szuecs, T.; Gueraya, R.T.; Oezkana, N.

    2010-01-01

    could be determined separately. The obtained results are compared with the predictions of the statistical model code NON-SMOKER WEB version v5.8.1 which is widely used in γ-process network calculations. It is found that the calculations overestimate the cross sections by about a factor of two. A sensitivity analysis shows that this discrepancy is caused by the inadequate description of the α+nucleus channel. A factor of two reduction of the reaction rate of 151 Eu(α, γ) 155 Tb in γ-process network calculations with respect to theoretical rates using the standard optical potential by McFadden and Satchler (1966) is recommended. Further details of the experiment, the data analysis and the astrophysical discussion can be found in [3].

  1. Use of Isotopes for Studying Reaction Mechanisms

    Indian Academy of Sciences (India)

    In the first part of this series, we discussed how isotopes can be used as markers to determine the nature of intermediates in chemical reactions. The second part covered the effect of isotopes on equilibria and reactions, in processes where the bond to the isotopic a tom is broken. We showed with specific examples how.

  2. Optimisation of high-quality total ribonucleic acid isolation from cartilaginous tissues for real-time polymerase chain reaction analysis.

    Science.gov (United States)

    Peeters, M; Huang, C L; Vonk, L A; Lu, Z F; Bank, R A; Helder, M N; Doulabi, B Zandieh

    2016-11-01

    Studies which consider the molecular mechanisms of degeneration and regeneration of cartilaginous tissues are seriously hampered by problematic ribonucleic acid (RNA) isolations due to low cell density and the dense, proteoglycan-rich extracellular matrix of cartilage. Proteoglycans tend to co-purify with RNA, they can absorb the full spectrum of UV light and they are potent inhibitors of polymerase chain reaction (PCR). Therefore, the objective of the present study is to compare and optimise different homogenisation methods and RNA isolation kits for an array of cartilaginous tissues. Tissue samples such as the nucleus pulposus (NP), annulus fibrosus (AF), articular cartilage (AC) and meniscus, were collected from goats and homogenised by either the MagNA Lyser or Freezer Mill. RNA of duplicate samples was subsequently isolated by either TRIzol (benchmark), or the RNeasy Lipid Tissue, RNeasy Fibrous Tissue, or Aurum Total RNA Fatty and Fibrous Tissue kits. RNA yield, purity, and integrity were determined and gene expression levels of type II collagen and aggrecan were measured by real-time PCR. No differences between the two homogenisation methods were found. RNA isolation using the RNeasy Fibrous and Lipid kits resulted in the purest RNA (A260/A280 ratio), whereas TRIzol isolations resulted in RNA that is not as pure, and show a larger difference in gene expression of duplicate samples compared with both RNeasy kits. The Aurum kit showed low reproducibility. For the extraction of high-quality RNA from cartilaginous structures, we suggest homogenisation of the samples by the MagNA Lyser. For AC, NP and AF we recommend the RNeasy Fibrous kit, whereas for the meniscus the RNeasy Lipid kit is advised.Cite this article: M. Peeters, C. L. Huang, L. A. Vonk, Z. F. Lu, R. A. Bank, M. N. Helder, B. Zandieh Doulabi. Optimisation of high-quality total ribonucleic acid isolation from cartilaginous tissues for real-time polymerase chain reaction analysis. Bone Joint Res 2016

  3. The Maillard Reaction Reduced the Sensitization of Tropomyosin and Arginine Kinase from Scylla paramamosain, Simultaneously.

    Science.gov (United States)

    Han, Xin-Yu; Yang, Huang; Rao, Shi-Tao; Liu, Guang-Yu; Hu, Meng-Jun; Zeng, Bin-Chang; Cao, Min-Jie; Liu, Guang-Ming

    2018-03-21

    The Maillard reaction was established to reduce the sensitization of tropomyosin (TM) and arginine kinase (AK) from Scylla paramamosain, and the mechanism of the attenuated sensitization was investigated. In the present study, the Maillard reaction conditions were optimized for heating at 100 °C for 60 min (pH 8.5) with arabinose. A low level of allergenicity in mice was shown by the levels of allergen-specific antibodies, and more Th1 and less Th2 cells cytokines produced and associated transcription factors with the Maillard reacted allergen (mAllergen). The tolerance potency in mice was demonstrated by the increased ratio of Th1/Th2 cytokines. Moreover, mass spectrometry analysis showed that some key amino acids of IgE-binding epitopes (K 112 , R 125 , R 133 of TM; K 33 , K 118 , R 202 of AK) were modified by the Maillard reaction. The Maillard reaction with arabinose reduced the sensitization of TM and AK, which may be due to the masked epitopes.

  4. Activation cross-section measurements of some proton induced reactions on Ni, Co and Mo for proton activation analysis (PAA) purposes

    International Nuclear Information System (INIS)

    Alharbi, A.A.; Alzahrani, J.; Azzam, A.; Nuclear Research Center, Cairo

    2011-01-01

    The experimental proton induced reaction cross sections on some elements of the Havar alloy were measured using the activation method and the well established stacked-foil technique combined with high resolution gamma-ray spectroscopy. They included the reactions nat Ni(p,x) 57 Ni, nat Co(p,x) 58(m+g) Co and nat Mo(p,x) 94g,95g,96(m+g) Tc, the aim being to obtain reliable data in the proton energy range up to 26 MeV for some important reactions to be used in the proton activation analysis of steel or other alloys. Irradiations were performed using the CS-30 Cyclotron at KFSH and RC, Riyadh, Saudi Arabia. The activity measurements were carried out in PNU laboratories, Riyadh, Saudi Arabia. The experimental excitation functions for the investigated reactions were constructed and compared with the performed computed theoretical nuclear model calculations using two different codes: ALICE-IPPE and TALYS. A comparison between our measured cross-section values and the available published data is also presented, with a view to checking the consistency of the reported experimental work from various laboratories.

  5. Kinetics of the epoxy–thiol click reaction initiated by a tertiary amine: Calorimetric study using monofunctional components

    International Nuclear Information System (INIS)

    Loureiro, Roi Meizoso; Amarelo, Tánia Carballeira; Abuin, Senen Paz; Soulé, Ezequiel R.; Williams, Roberto J.J.

    2015-01-01

    Graphical abstract: - Highlights: • Reaction kinetics of a monoepoxy and a monothiol was studied by DSC. • Benzyldimethylamine (BDMA) was used as initiator. • Reaction exhibited a long induction period followed by a fast autocatalytic rate. • A mechanistic kinetic model provided a reasonable fitting of the kinetic behavior. • The formulation simulates the behavior of room-temperature-cure commercial epoxies. - Abstract: An analysis of the kinetics of the epoxy–thiol reaction in a model stoichiometric system of monofunctional reagents, 3-mercaptopropionate (BMP) and phenylglycidylether (PGE) is reported. Benzyldimethylamine (BDMA) was employed as initiator in amounts ranging from 0.5 to 2 wt%. These formulations showed a kinetic behavior qualitatively similar to that of commercial adhesives and coatings formulated for a room-temperature cure. Isothermal DSC scans revealed the existence of a relatively long induction period preceding a fast autocatalytic reaction step. Dynamic DSC scans showed that the reaction was shifted to a lower temperature range by increasing the storage period of the initial formulation at 20 °C. This unusual kinetic behavior could be modeled assuming that thiolate anions, slowly generated during the induction period, initiated a fast autocatalytic propagation/proton transfer reaction. The kinetic model included a pseudo-steady state for the initiator concentration and an equilibrium reaction between epoxy and OH groups generated by reaction. A reasonable fitting of isothermal and dynamic DSC runs was achieved in a broad range of temperatures and amine concentrations. In particular, both the length of the induction time and the effect of the storage period were correctly predicted

  6. Kinetics of the epoxy–thiol click reaction initiated by a tertiary amine: Calorimetric study using monofunctional components

    Energy Technology Data Exchange (ETDEWEB)

    Loureiro, Roi Meizoso; Amarelo, Tánia Carballeira [Gairesa, Outeiro 1, Lago (Valdoviño), 15551 A Coruña (Spain); Abuin, Senen Paz, E-mail: senen@gairesa.com [Gairesa, Outeiro 1, Lago (Valdoviño), 15551 A Coruña (Spain); Soulé, Ezequiel R. [Institute of Materials Science and Technology (INTEMA), University of Mar del Plata and National Research Council (CONICET), J. B. Justo 4302, 7600 Mar del Plata (Argentina); Williams, Roberto J.J., E-mail: williams@fi.mdp.edu.ar [Institute of Materials Science and Technology (INTEMA), University of Mar del Plata and National Research Council (CONICET), J. B. Justo 4302, 7600 Mar del Plata (Argentina)

    2015-09-20

    Graphical abstract: - Highlights: • Reaction kinetics of a monoepoxy and a monothiol was studied by DSC. • Benzyldimethylamine (BDMA) was used as initiator. • Reaction exhibited a long induction period followed by a fast autocatalytic rate. • A mechanistic kinetic model provided a reasonable fitting of the kinetic behavior. • The formulation simulates the behavior of room-temperature-cure commercial epoxies. - Abstract: An analysis of the kinetics of the epoxy–thiol reaction in a model stoichiometric system of monofunctional reagents, 3-mercaptopropionate (BMP) and phenylglycidylether (PGE) is reported. Benzyldimethylamine (BDMA) was employed as initiator in amounts ranging from 0.5 to 2 wt%. These formulations showed a kinetic behavior qualitatively similar to that of commercial adhesives and coatings formulated for a room-temperature cure. Isothermal DSC scans revealed the existence of a relatively long induction period preceding a fast autocatalytic reaction step. Dynamic DSC scans showed that the reaction was shifted to a lower temperature range by increasing the storage period of the initial formulation at 20 °C. This unusual kinetic behavior could be modeled assuming that thiolate anions, slowly generated during the induction period, initiated a fast autocatalytic propagation/proton transfer reaction. The kinetic model included a pseudo-steady state for the initiator concentration and an equilibrium reaction between epoxy and OH groups generated by reaction. A reasonable fitting of isothermal and dynamic DSC runs was achieved in a broad range of temperatures and amine concentrations. In particular, both the length of the induction time and the effect of the storage period were correctly predicted.

  7. Reaction of phosphorus ylides with carbonyl compounds in supercritical carbon dioxide

    International Nuclear Information System (INIS)

    Jeong, Kyung Il; Kim, Hak Do; Shim, Jae Jin; Ra, Choon Sup

    2004-01-01

    The condensation reaction of (benzylene)triphenylphosphoranes with carbonyl compounds in supercritical carbon dioxide was examined. Reactions of (benzylene)phosphoranes (ca. 1 mmol) with several benzaldehydes in a supercritical carbon dioxide (80 .deg. C, 2,000 psi) containing THF entrainer (5%) in a 24 mL reactor proceed smoothly to yield olefination products in fairly good to excellent yields but slower, compared to reactions in a conventional THF solvent. Generally, phosphoranes that are not substituted with a nitro group show more (Z)-selective reactions with aromatic aldehydes under scCO 2 condition than in THF. The reaction of (benzylene)triphenylphosphosphoranes with 4-t-butylcyclohexanone gave the corresponding olefin compounds with a low conversion under both the supercritical carbon dioxide and the organic THF solvent. Our preliminary study showed the Wittig reaction carries out smoothly in supercritical carbon dioxide medium and also a possible tunability of this reaction pathway by adding a entrainer. The results would be useful for devising a novel process for the environmentally friendly Wittig reaction

  8. Time asymmetry: Polarization and analyzing power in the nuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Rioux, C.; Roy, R.; Slobodrian, R.J. (Laval Univ., Quebec City (Canada). Lab. de Physique Nucleaire); Conzett, H.E. (California Univ., Berkeley (USA). Lawrence Berkeley Lab.)

    1983-02-28

    Measurements of the proton polarization in the reactions /sup 7/Li(/sup 3/He, p vector)/sup 9/Be and /sup 9/Be(/sup 3/He, p vector)/sup 11/B and of the analyzing powers of the inverse reactions, initiated by polarized protons at the same c.m. energies, show significant differences which imply the failure of the polarization-analyzing-power theorem and, prima facie, of time-reversal invariance in these reactions. The reaction /sup 2/H(/sup 3/He, p vector)/sup 4/ He and its inverse have also been investigated and show some smaller differences. A discussion of the instrumental asymmetries is presented.

  9. Multi-criteria comparative evaluation of spallation reaction models

    Science.gov (United States)

    Andrianov, Andrey; Andrianova, Olga; Konobeev, Alexandr; Korovin, Yury; Kuptsov, Ilya

    2017-09-01

    This paper presents an approach to a comparative evaluation of the predictive ability of spallation reaction models based on widely used, well-proven multiple-criteria decision analysis methods (MAVT/MAUT, AHP, TOPSIS, PROMETHEE) and the results of such a comparison for 17 spallation reaction models in the presence of the interaction of high-energy protons with natPb.

  10. Investigations of nuclear structure and nuclear reactions induced by complex projectiles

    International Nuclear Information System (INIS)

    Sarantites, D.G.

    1990-01-01

    This report discusses research in the following areas: nuclear structure; fusion reactions near and below the barrier; incomplete fusion and fragmentation reactions; and instrumentation and analysis. (LSP)

  11. On-line mass spectometry of nuclear reactions induced by heavy ions

    International Nuclear Information System (INIS)

    Saint Simon, M. de.

    1977-01-01

    The adaptation of the on-line mass-spectrometric technique to the special conditions of heavy ion induced reactions is described. The method is very selective about A and Z, even for the very heavy reaction products in counterpart of the limitation of its applications to the alkaline elements only. This method is used in order to study the effects of angular momentum brought by the projectile in the complete fusion process and in the following neutron evaporation. The analysis of excitation functions shows that the increase in mass of the projectile has not always the effect of increasing the rotation energy of the compound nucleus. The on-line mass spectrometry has allowed to study heavy ion induced fission. Measurements of complementary isotopic distributions of fission products make it possible to explain that the total number of neutrons emitted per fission can be always deduced from the fragment excitation energy. The study of the isotope distribution variance shows that the statistical model for fission is in good agreement with experimental results after taking into account the non-fusion processes [fr

  12. Ozone-surface reactions in five homes: surface reaction probabilities, aldehyde yields, and trends.

    Science.gov (United States)

    Wang, H; Morrison, G

    2010-06-01

    Field experiments were conducted in five homes during three seasons (summer 2005, summer 2006 and winter 2007) to quantify ozone-initiated secondary aldehyde yields, surface reaction probabilities, and trends any temporal over a 1.5-year interval. Surfaces examined include living room carpets, bedroom carpets, kitchen floors, kitchen counters, and living room walls. Reaction probabilities for all surfaces for all seasons ranged from 9.4 x 10(-8) to 1.0 x 10(-4). There were no significant temporal trends in reaction probabilities for any surfaces from summer 2005 to summer 2006, nor over the entire 1.5-year period, indicating that it may take significantly longer than this period for surfaces to exhibit any 'ozone aging' or lowering of ozone-surface reactivity. However, all surfaces in three houses exhibited a significant decrease in reaction probabilities from summer 2006 to winter 2007. The total yield of aldehydes for the summer of 2005 were nearly identical to that for summer of 2006, but were significantly higher than for winter 2007. We also observed that older carpets were consistently less reactive than in newer carpets, but that countertops remained consistently reactive, probably because of occupant activities such as cooking and cleaning. Ozone reactions taking place at indoor surfaces significantly influence personal exposure to ozone and volatile reaction products. These field studies show that indoor surfaces only slowly lose their ability to react with ozone over several year time frames, and that this is probably because of a combination of large reservoirs of reactive coatings and periodic additions of reactive coatings in the form of cooking, cleaning, and skin-oil residues. When considering exposure to ozone and its reaction products and in the absence of dramatic changes in occupancy, activities or furnishings, indoor surface reactivity is expected to change very slowly.

  13. Palladium Loaded on Magnetic Nanoparticles as Efficient and Recyclable Catalyst for the Suzuki- Miyaura Reaction

    Directory of Open Access Journals (Sweden)

    H. Khojasteh

    2015-07-01

    Full Text Available Palladium is the best metal catalyst for Suzuki cross coupling reaction for synthesize of unsymmetrical biaryl compounds. But its high cost limits its application in wide scale. Using of nanoscale particles as active catalytic cites is a good approach for reducing needed noble metal. By loading precious nanoparticles on magnetic nanocores as a support, recycling and reusing of catalyst will be possible. Magnetic nanoparticles have super paramagnetic feature and applying an external magnetic field can collect the supported catalyst from reaction milieu simply. In this work new palladium catalyst immobilized on modified magnetic nanoparticles containing NNO donor atoms were synthesized. Then the catalyst characterized by FT-IR spectroscopy, thermogravimetric analysis, X-ray diffraction and ICP. Prepared catalyst showed high activity in the Suzuki– Miyaura cross-coupling reaction of phenylboronic acid with aryl halides. Activity, Pd loading, reusability and Pd leaching of catalyst were studied. Results showed that the supported catalyst has the advantage to be completely recoverable with the simple application of an external magnetic field.

  14. Pericyclic reactions in an aqueous molecular flask.

    Science.gov (United States)

    Murase, Takashi; Fujita, Makoto

    2010-10-01

    A self-assembled molecular flask with a nanometer-sized restricted cavity offers a new reaction environment that is quite different from the bulk solution. The self-assembled cage accommodates a pair of hydrophobic molecules to perform unusual Diels-Alder reactions and [2+2] photoadditions of otherwise unreactive aromatic molecules. In this cage, for example, the Diels-Alder reaction of naphthalene proceeds smoothly under mild conditions, and aceanthrylene shows reactivity for both [2+2] and [2+4] cycloadditions via the identical ternary host-guest complex. The observed greatly enhanced reactivity stems from the increased local concentration and pre-organization of the substrate pair within the cage, which reduces the entropic cost and switches the reaction profile from a bimolecular to a pseudo-intramolecular reaction pathway. The reinforced orientation and arrangement of substrate pairs specify regio- and stereo-selectivities of the subsequent reactions in the cavity. Chiral auxiliaries outside the cage create the inner chiral environment and induce asymmetric reactions inside the cage (up to 50% ee). © 2010 The Japan Chemical Journal Forum and Wiley Periodicals, Inc.

  15. Spontaneous Hedonic Reactions to Social Media Cues.

    Science.gov (United States)

    van Koningsbruggen, Guido M; Hartmann, Tilo; Eden, Allison; Veling, Harm

    2017-05-01

    Why is it so difficult to resist the desire to use social media? One possibility is that frequent social media users possess strong and spontaneous hedonic reactions to social media cues, which, in turn, makes it difficult to resist social media temptations. In two studies (total N = 200), we investigated less-frequent and frequent social media users' spontaneous hedonic reactions to social media cues using the Affect Misattribution Procedure-an implicit measure of affective reactions. Results demonstrated that frequent social media users showed more favorable affective reactions in response to social media (vs. control) cues, whereas less-frequent social media users' affective reactions did not differ between social media and control cues (Studies 1 and 2). Moreover, the spontaneous hedonic reactions to social media (vs. control) cues were related to self-reported cravings to use social media and partially accounted for the link between social media use and social media cravings (Study 2). These findings suggest that frequent social media users' spontaneous hedonic reactions in response to social media cues might contribute to their difficulties in resisting desires to use social media.

  16. Hydrogen/Chlorine exchange reactions of gaseous carbanions.

    Science.gov (United States)

    Chen, Hao; Cooks, R Graham; Meurer, Eduardo C; Eberlin, Marcos N

    2005-12-01

    Gas-phase reactions of three typical carbanions CH(2)NO(2)(-), CH(2)CN(-), and CH(2)S(O)CH(3)(-) with the chloromethanes CH(2)Cl(2), CHCl(3), and CCl(4), examined by tandem mass spectrometry, show a novel hydrogen/chlorine exchange reaction. For example, reaction between the nitromethyl anion CH(2)NO(2)(-) and carbon tetrachloride CCl(4) forms the ion CHClNO(2)(-). The suggested reaction mechanism involves nucleophilic attack by CH(2)NO(2)(-) at the chlorine of CCl(4) followed by proton transfer within the resulting complex [CH(2)ClNO(2) + CCl(3)(-)] to form CHClNO(2)(-) and CHCl(3). Two other carbanions CH(2)CN(-) and CH(2)S(O)CH(3)(-) also undergo the novel hydrogen/chlorine exchange reactions with CCl(4) but to a much smaller extent, their higher nucleophilicities favoring competitive nucleophilic attack reactions. Proton abstraction is the exclusive pathway in the reactions of these carbanions with CHCl(3). While CH(2)CN(-) and CH(2)S(O)CH(3)(-) promote mainly proton abstraction and nucleophilic displacement in reactions with CH(2)Cl(2), CH(2)NO(2)(-) does not react.

  17. Thermodynamics of random reaction networks.

    Directory of Open Access Journals (Sweden)

    Jakob Fischer

    Full Text Available Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.

  18. Analytical applications of ion/molecule reactions in a triple quadrupole mass spectrometer

    International Nuclear Information System (INIS)

    Kinter, M.T.

    1986-01-01

    The development of triple quadrupole mass spectrometers as a means of performing tandem mass spectrometry has provided a versatile instrument on which the ion/molecule reactions of a mass selected ion can be studied. This dissertation details the application of ion/molecule reactions in a triple quadrupole to two analytical problems. Part I. Ion/Molecule Reactions of Ammonia with Translationally Excited C 2 H 5 O + /Ions. The ability to impart low center-of-mass translational energies, which upon collision are converted into internal energy, allows the observation of reactions that require energy input. In addition, the systematic variation of the ion kinetic energy, often referred to as energy-resolved mass spectrometer, adds another dimension to the mass spectrum and can allow the observation of thresholds for reactions requiring energy input. This investigation develops methods for determining these thresholds. Part 2. The Use of Ion/Molecule Reactions in selected Reaction Monitoring GC/MSD/MS Analyses. An approach to improving the selectivity of an analysis is to improve the selectivity of the detection method. In GC/MS, one method has been to monitor a selected fragmentation reaction, either metastable or collisionally activated, in a selected reaction monitoring (SRM) analysis. This develops the use of ion/molecule reactions for selected reaction monitoring analyses

  19. Quasielastic reactions

    International Nuclear Information System (INIS)

    Hansen, O.

    1983-01-01

    A brief review is presented of the experimental and theoretical situation regarding transfer reactions and inelastic scattering. In the first category there is little (very little) precision data for heavy projectiles and consequently almost no experience with quantitative theoretical analysis. For the inelastic scattering the rather extensive data strongly supports the coupled channels models with collective formfactors. At the most back angles, at intensities about 10 -5 of Rutherford scattering, a second, compound-like mechanism becomes dominant. The description of the interplay of these two opposite mechanisms provides a new challenge for our understanding

  20. NMR reaction monitoring in flow synthesis.

    Science.gov (United States)

    Gomez, M Victoria; de la Hoz, Antonio

    2017-01-01

    Recent advances in the use of flow chemistry with in-line and on-line analysis by NMR are presented. The use of macro- and microreactors, coupled with standard and custom made NMR probes involving microcoils, incorporated into high resolution and benchtop NMR instruments is reviewed. Some recent selected applications have been collected, including synthetic applications, the determination of the kinetic and thermodynamic parameters and reaction optimization, even in single experiments and on the μL scale. Finally, software that allows automatic reaction monitoring and optimization is discussed.