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Sample records for direct reaction studies

  1. Direct Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Austern, N. [University of Pittsburgh, Pittsburgh, PA (United States)

    1963-01-15

    In order to give a unified presentation of one point of view, these lectures are devoted only to a detailed development of the standard theories of direct reactions, starting from basic principles. Discussion is given of the present status of the theories, of the techniques used for practical calculation, and of possible future developments. The direct interaction (DI) aspects of a reaction are those which involve only a few of the many degrees of freedom of a nucleus. In fact the minimum number of degrees of freedom which must be involved in a reaction are those required to describe the initial and final channels, and DI studies typically consider these degrees of freedom and no others. Because of this simplicity DI theories may be worked out in painstaking detail. DI processes concern only part of the wave function for a problem. The other part involves complicated excitations of many degrees of freedom, and gives the compound nucleus (CN) effects. While it is extremely interesting to learn how to separate DI and CN effects in an orderly manner, if they are both present in a reaction, no suitable method has yet been found. Instead, current work stresses the kinds of reactions and the kinds of final states in which DI effects dominate and in which CN effects may almost be forgotten. The DI cross-sections which are studied are often extremely large, comparable to elastic scattering cross-sections. (author)

  2. Direct Reaction Experimental Studies with Beams of Radioactive Tin Ions

    Energy Technology Data Exchange (ETDEWEB)

    Jones, K. L. [University of Tennessee, Knoxville (UTK); Ahn, S.H. [University of Tennessee, Knoxville (UTK); Allmond, James M [ORNL; Ayres, A. [University of Tennessee, Knoxville (UTK); Bardayan, Daniel W [ORNL; Baugher, T. [Michigan State University, East Lansing; Bazin, D. [Michigan State University, National Superconducting Cyclotron Laboratory (NSCL); Beene, James R [ORNL; Berryman, J. S. [Michigan State University, East Lansing; Bey, A. [University of Tennessee, Knoxville (UTK); Bingham, C. R. [University of Tennessee, Knoxville (UTK); Cartegni, L. [University of Tennessee, Knoxville (UTK); Chae, K. Y. [University of Tennessee, Knoxville (UTK)/Sungkyunkwan University, Korea; Cizewski, J. A. [Rutgers University; Gade, A. [Michigan State University, National Superconducting Cyclotron Laboratory (NSCL); Galindo-Uribarri, Alfredo {nmn} [ORNL; Garcia-Ruiz, R.F. [Instituut voor Kernen Stralingsfysica, KU Leuven, B-3001, Leuven, Belgium; Grzywacz, Robert Kazimierz [ORNL; Howard, Meredith E [ORNL; Kozub, R. L. [Tennessee Technological University (TTU); Liang, J Felix [ORNL; Manning, Brett M [ORNL; Matos, M. [Louisiana State University; McDaniel, S. [Michigan State University, East Lansing; Miller, D. [University of Tennessee, Knoxville (UTK); Nesaraja, Caroline D [ORNL; O' Malley, Patrick [Rutgers University; Padgett, S [University of Tennessee, Knoxville (UTK); Padilla-Rodal, Elizabeth [Universidad Nacional Autonoma de Mexico (UNAM); Pain, Steven D [ORNL; Pittman, S. T. [University of Tennessee (UTK) and Oak Ridge National Laboratory (ORNL); Radford, David C [ORNL; Ratkiewicz, Andrew J [ORNL; Schmitt, Kyle [ORNL; Smith, Michael Scott [ORNL; Stracener, Daniel W [ORNL; Stroberg, S. [Michigan State University, East Lansing; Tostevin, Jeffrey A [ORNL; Varner Jr, Robert L [ORNL; Weisshaar, D. [Michigan State University, East Lansing; Wimmer, K. [Michigan State University, National Superconducting Cyclotron Laboratory (NSCL)/Central Michigan University; Winkler, R. [Michigan State University, East Lansing

    2015-01-01

    The tin chain of isotopes provides a unique region in which to investigate the evolution of single-particle structure, spreading from N = 50 at Sn-100, through 10 stable isotopes and the N = 82 shell closure at Sn-132 out into the r-process path. Direct reactions performed on radioactive ion beams are sensitive spectroscopic tools for studying exotic nuclei. Here we present one experiment knocking out neutrons from tin isotopes that are already neutron deficient and two reactions that add a neutron to neutron-rich Sn-130. Both techniques rely on selective particle identification and the measurement of gamma rays in coincidence with charged ions. We present the goals of the two experiments and the particle identification for the channels of interest. The final results will be presented in future publications.

  3. Exchange effects in direct reactions

    International Nuclear Information System (INIS)

    LeMere, M.; Kanellopoulos, E.J.; Suenkel, W.; Tang, Y.C.

    1979-01-01

    The effect of antisymmetrization in direct reactions is examined by studying the properties of the coupling-normalization kernel function occurring in a resonating-group formulation. From this study, one obtains useful information concerning the general behavior of direct-reactiion processes and some justification for the use of three-body models in phenomenological analyses

  4. Direct reactions in inverse kinematics for nuclear structure studies far off stability at low incident energies

    International Nuclear Information System (INIS)

    Egelhof, P.

    1997-02-01

    The investigation of light-ion induced direct reactions with exotic beams in inverse kinematics gives access to a wide field of nuclear structure studies in the region far off stability. The present contribution will focus on the investigation of few-nucleon transfer reactions, which turn out to be most favourably studied with good-quality low-energy radioactive beams, as provided by the new generation of radioactive beam facilities presently planned or under construction at Caen, Grenoble, Munich, and elsewhere. An overview on the physics motivation, basically concerning nuclear structure and nuclear astrophysics questions, is given. Of particular interest are the nuclear shell model in the region far off stability, the two-body residual interaction in nuclei, the structure of halo nuclei, as well as the understanding of the r-process scenario. The experimental conditions, along with the experimental concept, for such measurements are discussed with particular emphasis on the kinematical conditions, the observables, as well as the appropriate detection schemes. The concept of a large solid angle TPC ionization chamber as an active target for experiments with low-energy radioactive beams is presented. It turns out to be a highly effective detection scheme, well suited for the present experimental conditions, at least for light exotic beams up to Z∼20. (orig.)

  5. 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.

  6. Study of some direct reactions at 00 in 18O+26Mg and 18O+12C systems

    International Nuclear Information System (INIS)

    Payet, J.

    1984-01-01

    Direct transfer reactions induced by a 18 O beam on 12 C and 26 Mg targets, have been studied at the MP tandem (Orsay) with an experimental set up giving the possibility to have angular distributions up to 0 0 . Transfer reactions to discrete levels were analysed in the D.W.B.A. framework. This analysis confirms the interest as a spectroscopic tool of this 0 0 measurements. The ( 18 O, 16 O) and ( 18 O, 20 Ne) reactions were observed up to 40 MeV excitation energy. A diffractionnal model, including the one step direct transfer hypothesis, gives a qualitative agreement with the angular distributions and the energy spectra. A parametrization of a specific small angles development of the transfer amplitudes does not give good results with physical values for the parameters. 32 refs [fr

  7. Multi-step direct reactions

    International Nuclear Information System (INIS)

    Koning, A.J.

    1992-07-01

    In recent years a variety of statistical theories has been developed concerning multistep direct (MSD) nuclear reactions. In addition, dominant in applications is a whole class of semiclassical models that may be subsumed under the heading of 'generalized exciton models'; these are basically MSD-type extensions on top of compound-like concepts. In this report the relation between their underlying statistical MSD-postulates are highlighted. A command framework is sketched that enables to generate the various MSD theories through assigning statistical properties to different parts of the nuclear Hamiltonian. Then it is shown that distinct forms of nuclear randomness are embodied in the mentioned theories. All these theories appear to be very similar at a qualitative level. In order to explain the high energy-tails and forward-peaked angular distribution typical for particles emitted in MSD reactions, it is imagined that the incident continuum particle stepwise looses its energy and direction in a sequence of collisions, thereby creating new particle-hole pairs in the target system. At each step emission may take place. The statistical aspect comes in because many continuum states are involved in the process. These are supposed to display chaotic behavior, the associated randomness assumption giving rise to important simplifications in the expression for MSD emission cross sections. This picture suggests that mentioned MSD models can be interpreted as a variant of essentially one and the same theory. 113 refs.; 25 figs.; 9 tabs

  8. Direct catalytic asymmetric aldol-Tishchenko reaction.

    Science.gov (United States)

    Gnanadesikan, Vijay; Horiuchi, Yoshihiro; Ohshima, Takashi; Shibasaki, Masakatsu

    2004-06-30

    A direct catalytic asymmetric aldol reaction of propionate equivalent was achieved via the aldol-Tishchenko reaction. Coupling an irreversible Tishchenko reaction to a reversible aldol reaction overcame the retro-aldol reaction problem and thereby afforded the products in high enantio and diastereoselectivity using 10 mol % of the asymmetric catalyst. A variety of ketones and aldehydes, including propyl and butyl ketones, were coupled efficiently, yielding the corresponding aldol-Tishchenko products in up to 96% yield and 95% ee. Diastereoselectivity was generally below the detection limit of 1H NMR (>98:2). Preliminary studies performed to clarify the mechanism revealed that the aldol products were racemic with no diastereoselectivity. On the other hand, the Tishchenko products were obtained in a highly enantiocontrolled manner.

  9. Study of In-Cylinder Reactions of High Power-Density Direct Injection Diesel Engines

    National Research Council Canada - National Science Library

    Jansons, M

    2004-01-01

    Direct-injection (DI) Diesel or compression-ignition (CI) engine combustion process is investigated when new design and operational strategies are employed in order to achieve a high power-density (HPD) engine...

  10. Direct gas-phase epoxidation of propylene to propylene oxide through radical reactions: A theoretical study

    Science.gov (United States)

    Kizilkaya, Ali Can; Fellah, Mehmet Ferdi; Onal, Isik

    2010-03-01

    The gas-phase radical chain reactions which utilize O 2 as the oxidant to produce propylene oxide (PO) are investigated through theoretical calculations. The transition states and energy profiles were obtained for each path. The rate constants were also calculated. The energetics for the competing pathways indicate that PO can be formed selectively due to its relatively low activation barrier (9.3 kcal/mol) which is in a good agreement with the experimental value (11 kcal/mol) of gas-phase propylene epoxidation. The formation of the acrolein and combustion products have relatively high activation barriers and are not favored. These results also support the recent experimental findings.

  11. Substrate-Directed Catalytic Selective Chemical Reactions.

    Science.gov (United States)

    Sawano, Takahiro; Yamamoto, Hisashi

    2018-05-04

    The development of highly efficient reactions at only the desired position is one of the most important subjects in organic chemistry. Most of the reactions in current organic chemistry are reagent- or catalyst-controlled reactions, and the regio- and stereoselectivity of the reactions are determined by the inherent nature of the reagent or catalyst. In sharp contrast, substrate-directed reaction determines the selectivity of the reactions by the functional group on the substrate and can strictly distinguish sterically and electronically similar multiple reaction sites in the substrate. In this Perspective, three topics of substrate-directed reaction are mainly reviewed: (1) directing group-assisted epoxidation of alkenes, (2) ring-opening reactions of epoxides by various nucleophiles, and (3) catalytic peptide synthesis. Our newly developed synthetic methods with new ligands including hydroxamic acid derived ligands realized not only highly efficient reactions but also pinpointed reactions at the expected position, demonstrating the substrate-directed reaction as a powerful method to achieve the desired regio- and stereoselective functionalization of molecules from different viewpoints of reagent- or catalyst-controlled reactions.

  12. 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.)

  13. Induced isospin mixing in direct nuclear reactions

    International Nuclear Information System (INIS)

    Lenske, H.

    1979-07-01

    The effect of charge-dependent interactions on nuclear reactions is investigated. First, a survey is given on the most important results concerning the charge dependence of the nucleon-nucleon interaction. The isospin symmetry and invariance principles are discussed. Violations of the isospin symmetry occuring in direct nuclear reactions are analysed using the soupled channel theory, the folding model and microscopic descriptions. Finally, induced isospin mixing in isospin-forbidden direct reactions is considered using the example of the inelastic scattering of deuterons on 12 C. (KBE)

  14. Amyloplast Distribution Directs a Root Gravitropic Reaction

    Science.gov (United States)

    Kordyum, Elizabeth

    Immobile higher plants are oriented in the gravitational field due to gravitropim that is a physiological growth reaction and consists of three phases: reception of a gravitational signal by statocytes, its transduction to the elongation zone, and finally the organ bending. As it is known, roots are characterized with positive gravitropism, i. e. they grow in the direction of a gravitational vector, stems - with negative gravitropism, i. e. they grow in the direction opposite to a gravitational vector. According to the Nemec’s and Haberlandt’s starch-statolith hypothesis, amyloplasts in diameter of 1.5 - 3 μ in average, which appear to act as gravity sensors and fulfill a statolythic function in the specialized graviperceptive cells - statocytes, sediment in the direction of a gravitational vector in the distal part of a cell, while a nucleus is in the proximal one. There are reasonable data that confirm the amyloplasts-statoliths participation in gravity perception: 1) correlation between the statoliths localization and the site of gravity sensing, 2) significant redistribution (sedimentation) of amyloplasts in statocytes under gravistimulation in comparison with other cell organelles, 3) root decreased ability to react on gravity under starch removal from amyloplasts, 4) starchless Arabidopsis thaliana mutants are agravitropic, 5) amyloplasts-statoliths do not sediment in the absence of the gravitational vector and are in different parts or more concentrated in the center of statocytes. Plant tropisms have been intensively studied for many decades and continue to be investigated. Nevertheless, the mechanisms by which plants do so is still not clearly explained and many questions on gravisensing and graviresponse remain unanswered. Even accepted hypotheses are now being questioned and recent data are critically evaluated. Although the available data show the Ca2+ and cytoskeleton participation in graviperception and signal transduction, the clear evidence

  15. An ab initio chemical reaction model for the direct simulation Monte Carlo study of non-equilibrium nitrogen flows.

    Science.gov (United States)

    Mankodi, T K; Bhandarkar, U V; Puranik, B P

    2017-08-28

    A new ab initio based chemical model for a Direct Simulation Monte Carlo (DSMC) study suitable for simulating rarefied flows with a high degree of non-equilibrium is presented. To this end, Collision Induced Dissociation (CID) cross sections for N 2 +N 2 →N 2 +2N are calculated and published using a global complete active space self-consistent field-complete active space second order perturbation theory N 4 potential energy surface and quasi-classical trajectory algorithm for high energy collisions (up to 30 eV). CID cross sections are calculated for only a selected set of ro-vibrational combinations of the two nitrogen molecules, and a fitting scheme based on spectroscopic weights is presented to interpolate the CID cross section for all possible ro-vibrational combinations. The new chemical model is validated by calculating equilibrium reaction rate coefficients that can be compared well with existing shock tube and computational results. High-enthalpy hypersonic nitrogen flows around a cylinder in the transition flow regime are simulated using DSMC to compare the predictions of the current ab initio based chemical model with the prevailing phenomenological model (the total collision energy model). The differences in the predictions are discussed.

  16. Dual-level direct dynamics studies for the hydrogen abstraction reaction of 1,1-difluoroethane with O( 3P)

    Science.gov (United States)

    Liu, Jing-yao; Li, Ze-sheng; Dai, Zhen-wen; Zhang, Gang; Sun, Chia-chung

    2004-01-01

    We present dual-level direct dynamics calculations for the CH 3CHF 2 + O( 3P) hydrogen abstraction reaction in a wide temperature range, based on canonical variational transition-state theory including small curvature tunneling corrections. For this reaction, three distinct transition states, one for α-abstraction and two for β-abstraction, have been located. The potential energy surface information is obtained at the MP2(full)/6-311G(d,p) level of theory, and higher-level single-point calculations for the stationary points are preformed at several levels, namely QCISD(T)/6-311+G(3df,3pd), G2, and G3 using the MP2 geometries, as well as at the G3//MP4SDQ/6-311G(d,p) level. The energy profiles are further refined with the interpolated single-point energies method at the G3//MP2(full)/6-311G(d,p) level. The total rate constants match the experimental data reasonable well in the measured temperature range 1110-1340 K. It is shown that at low temperature α-abstraction may be the major reaction channel, while β-abstraction will have more contribution to the whole reaction rate as the temperature increases.

  17. Cross sections for multistep direct reactions

    International Nuclear Information System (INIS)

    Demetriou, Paraskevi; Marcinkowski, Andrzej; Marianski, Bohdan

    2002-01-01

    Inelastic scattering and charge-exchange reactions have been analysed at energies ranging from 14 to 27 MeV using the modified multistep direct reaction theory (MSD) of Feshbach, Kerman and Koonin. The modified theory considers the non-DWBA matrix elements in the MSD cross section formulae and includes both incoherent particle-hole excitations and coherent collective excitations in the continuum, according to the prescriptions. The results show important contributions from multistep processes at all energies considered. (author)

  18. Direct reactions for nuclear structure and nuclear astrophysics

    International Nuclear Information System (INIS)

    Jones, Katherine Louise

    2014-01-01

    Direct reactions are powerful probes for studying the atomic nucleus. Modern direct reaction studies are illuminating both the fundamental nature of the nucleus and its role in nucleosynthetic processes occurring in the cosmos. This report covers experiments using knockout reactions on neutron-deficient fragmentation beams, transfer reactions on fission fragment beams, and theoretical sensitivity studies relating to the astrophysical r-process. Results from experiments on 108,106 Sn at the NSCL, and on 131 Sn at HRIBF are presented as well as the results from the nucleosynthesis study.

  19. Direct Reactions for Nuclear Structure and Nuclear Astrophysics

    Energy Technology Data Exchange (ETDEWEB)

    Jones, Katherine Louise [Univ. of Tennessee, Knoxville, TN (United States). Experimental Low-Energy Nuclear Physics Group

    2014-12-18

    Direct reactions are powerful probes for studying the atomic nucleus. Modern direct reaction studies are illuminating both the fundamental nature of the nucleus and its role in nucleosynthetic processes occurring in the cosmos. This report covers experiments using knockout reactions on neutron-deficient fragmentation beams, transfer reactions on fission fragment beams, and theoretical sensitivity studies relating to the astrophysical r-process. Results from experiments on 108,106Sn at the NSCL, and on 131Sn at HRIBF are presented as well as the results from the nucleosynthesis study.

  20. Direct dynamics trajectory study of the reaction of formaldehyde cation with D2: vibrational and zero-point energy effects on quasiclassical trajectories.

    Science.gov (United States)

    Liu, Jianbo; Song, Kihyung; Hase, William L; Anderson, Scott L

    2005-12-22

    Quasiclassical, direct dynamics trajectories have been used to study the reaction of formaldehyde cation with molecular hydrogen, simulating the conditions in an experimental study of H2CO+ vibrational effects on this reaction. Effects of five different H2CO+ modes were probed, and we also examined different approaches to treating zero-point energy in quasiclassical trajectories. The calculated absolute cross-sections are in excellent agreement with experiments, and the results provide insight into the reaction mechanism, product scattering behavior, and energy disposal, and how they vary with impact parameter and reactant state. The reaction is sharply orientation-dependent, even at high collision energies, and both trajectories and experiment find that H2CO+ vibration inhibits reaction. On the other hand, the trajectories do not reproduce the anomalously strong effect of nu2(+) (the CO stretch). The origin of the discrepancy and approaches for minimizing such problems in quasiclassical trajectories are discussed.

  1. Study of ions - molecules reactions in the gas phase with collision reaction cell devices: Applications to the direct resolution of spectroscopic interferences in ICP-MS

    International Nuclear Information System (INIS)

    Favre, G.

    2008-12-01

    Inductively Coupled Plasma Mass Spectrometry emerged as the most widespread mass spectrometry technique in inorganic analytical chemistry for determining the concentration of a given isotope or an isotope ratio. The problem of spectroscopic interferences, inherent to this technique, finds a solution through the use of reaction cell devices. An in situ interference removal is feasible with the addition of a well selected gas in the cell. The understanding of the chemistry of ions-molecules interactions in the gas phase is however fundamental to optimize the efficiency of such devices. An accurate knowledge of experimental conditions in the reaction zone according to instrumental parameters appears crucial in order to interpret observed reactivities. This preliminary study is then used for the resolution of two nuclear field characteristic interferences. (author)

  2. Direct processes in heavy ion reactions

    International Nuclear Information System (INIS)

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

    1983-01-01

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

  3. Direct interaction in nuclear reactions: a theory

    International Nuclear Information System (INIS)

    Dominicis, C.T. de

    1959-01-01

    General treatment of the foundations of direct interaction in nuclear reactions; representation of the instantaneous elastic scattering amplitude by the scattering amplitude due to a complex potential; expansion of the instantaneous inelastic scattering amplitude and discussion of the 1. Bohr approximation (distorted waves) contribution to individual and collective states of excitation. (author) [fr

  4. Systematic uncertainties in direct reaction theories

    International Nuclear Information System (INIS)

    Lovell, A E; Nunes, F M

    2015-01-01

    Nuclear reactions are common probes to study nuclei and in particular, nuclei at the limits of stability. The data from reaction measurements depend strongly on theory for a reliable interpretation. Even when using state-of-the-art reaction theories, there are a number of sources of systematic uncertainties. These uncertainties are often unquantified or estimated in a very crude manner. It is clear that for theory to be useful, a quantitative understanding of the uncertainties is critical. Here, we discuss major sources of uncertainties in a variety of reaction theories used to analyze (d,p) nuclear reactions in the energy range E d = 10–20 MeV, and we provide a critical view on how these have been handled in the past and how estimates can be improved. (paper)

  5. Dispersion Theory of Direct Nuclear Reactions

    International Nuclear Information System (INIS)

    Shapiro, I.S.

    1963-01-01

    The main difficulty of nuclear theory is that nuclei contain many (i. e. more than two) but not too many particles. Therefore, the precise equations of motion (Schrodinger equation) become practically useless, and at the same time it is impossible to apply statistical methods with confidence. The latter circumstance is graphically expressed in direct nuclear reactions. The essence of these phenomena consists in that a particle hitting the target nucleus transfers its energy and momentum either to one nuclear nucleon or to a comparatively small group of nucleons. This fact would not by itself be surprising if at the same time we did not observe a directly opposite picture corresponding to the production of a compound nucleus, i. e. the statistical distribution among all degrees of freedom of the energy transferred to the nucleus. In macroscopic physics the co-existence of. such processes is impossible since they would contradict the second law of thermodynamics. Such processes occur quite often in nuclear physics because of the inapplic- ability of the asymptotic laws of the theory of probabilities. Since statistical methods were obviously unsuited for the direct process theory, this led to the conviction that it was necessary to return to the Schrodinger equation for a system of many interacting particles. But the technique of solving such equations is still confined to perturbation theory and therefore it was the latter that was used to describe direct nuclear reactions despite the fact that the interaction between nucleons is strong and the application of perturb- ation theory to the interaction of free nucleons (to n-p or p-p scattering, for example) leads to results which strongly contradict experimental data. The results of the application of perturbation theory to direct nuclear reactions sometimes agree with experimental data and sometimes cqntradict them, but in either case they can hardly satisfy the investigator because it seems impossible to give the

  6. Dispersion Theory of Direct Nuclear Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Shapiro, I. S. [Institute Of Theoretical And Experimental Physics, Moscow, USSR (Russian Federation)

    1963-01-15

    The main difficulty of nuclear theory is that nuclei contain many (i. e. more than two) but not too many particles. Therefore, the precise equations of motion (Schrodinger equation) become practically useless, and at the same time it is impossible to apply statistical methods with confidence. The latter circumstance is graphically expressed in direct nuclear reactions. The essence of these phenomena consists in that a particle hitting the target nucleus transfers its energy and momentum either to one nuclear nucleon or to a comparatively small group of nucleons. This fact would not by itself be surprising if at the same time we did not observe a directly opposite picture corresponding to the production of a compound nucleus, i. e. the statistical distribution among all degrees of freedom of the energy transferred to the nucleus. In macroscopic physics the co-existence of. such processes is impossible since they would contradict the second law of thermodynamics. Such processes occur quite often in nuclear physics because of the inapplic- ability of the asymptotic laws of the theory of probabilities. Since statistical methods were obviously unsuited for the direct process theory, this led to the conviction that it was necessary to return to the Schrodinger equation for a system of many interacting particles. But the technique of solving such equations is still confined to perturbation theory and therefore it was the latter that was used to describe direct nuclear reactions despite the fact that the interaction between nucleons is strong and the application of perturb- ation theory to the interaction of free nucleons (to n-p or p-p scattering, for example) leads to results which strongly contradict experimental data. The results of the application of perturbation theory to direct nuclear reactions sometimes agree with experimental data and sometimes cqntradict them, but in either case they can hardly satisfy the investigator because it seems impossible to give the

  7. Nuclear reaction studies

    International Nuclear Information System (INIS)

    Alexander, J.M.; Lacey, R.A.

    1994-01-01

    Research focused on the statistical and dynamical properties of ''hot'' nuclei formed in symmetric heavy-ion reactions. Theses included ''flow'' measurements and the mechanism for multifragment disassembly. Model calculations are being performed for the reactions C+C, Ne+Al, Ar+Sc, Kr+Nb, and Xe+La. It is planned to study 40 Ar reactions from 27 to 115 MeV/nucleon. 2 figs., 41 refs

  8. Randomness in multi-step direct reactions

    International Nuclear Information System (INIS)

    Koning, A.J.; Akkermans, J.M.

    1991-01-01

    The authors propose a quantum-statistical framework that provides an integrated perspective on the differences and similarities between the many current models for multi-step direct reactions in the continuum. It is argued that to obtain a statistical theory two physically different approaches are conceivable to postulate randomness, respectively called leading-particle statistics and residual-system statistics. They present a new leading-particle statistics theory for multi-step direct reactions. It is shown that the model of Feshbach et al. can be derived as a simplification of this theory and thus can be founded solely upon leading-particle statistics. The models developed by Tamura et al. and Nishioka et al. are based upon residual-system statistics and hence fall into a physically different class of multi-step direct theories, although the resulting cross-section formulae for the important first step are shown to be the same. The widely used semi-classical models such as the generalized exciton model can be interpreted as further phenomenological simplification of the leading-particle statistics theory

  9. A Ring Polymer Molecular Dynamics Approach to Study the Transition between Statistical and Direct Mechanisms in the H2 + H3+ → H3+ + H2 Reaction.

    Science.gov (United States)

    Suleimanov, Yury V; Aguado, Alfredo; Gómez-Carrasco, Susana; Roncero, Octavio

    2018-05-03

    Because of its fundamental importance in astrochemistry, the H 2 + H 3 + → H 3 + + H 2 reaction has been studied experimentally in a wide temperature range. Theoretical studies of the title reaction significantly lag primarily because of the challenges associated with the proper treatment of the zero-point energy (ZPE). As a result, all previous theoretical estimates for the ratio between a direct proton-hop and indirect exchange (via the H 5 + complex) channels deviate from the experiment, in particular, at lower temperatures where the quantum effects dominate. In this work, the ring polymer molecular dynamics (RPMD) method is applied to study this reaction, providing very good agreement with the experiment. RPMD is immune to the shortcomings associated with the ZPE leakage and is able to describe the transition from direct to indirect mechanisms below room temperature. We argue that RPMD represents a useful tool for further studies of numerous ZPE-sensitive chemical reactions that are of high interest in astrochemistry.

  10. Monte Carlo FLUKA code simulation for study of {sup 68}Ga production by direct proton-induced reaction

    Energy Technology Data Exchange (ETDEWEB)

    Mokhtari Oranj, Leila; Kakavand, Tayeb [Physics Faculty, Zanjan University, P.O. Box 451-313, Zanjan (Iran, Islamic Republic of); Sadeghi, Mahdi, E-mail: msadeghi@nrcam.org [Agricultural, Medical and Industrial Research School, Nuclear Science and Technology Research Institute, P.O. Box 31485-498, Karaj (Iran, Islamic Republic of); Aboudzadeh Rovias, Mohammadreza [Agricultural, Medical and Industrial Research School, Nuclear Science and Technology Research Institute, P.O. Box 31485-498, Karaj (Iran, Islamic Republic of)

    2012-06-11

    {sup 68}Ga is an important radionuclide for positron emission tomography. {sup 68}Ga can be produced by the {sup 68}Zn(p,n){sup 68}Ga reaction in a common biomedical cyclotrons. To facilitate optimization of target design and study activation of materials, Monte Carlo code can be used to simulate the irradiation of the target materials with charged hadrons. In this paper, FLUKA code simulation was employed to prototype a Zn target for the production of {sup 68}Ga by proton irradiation. Furthermore, the experimental data were compared with the estimated values for the thick target yield produced in the irradiation time according to FLUKA code. In conclusion, FLUKA code can be used for estimation of the production yield.

  11. Fusion and direct reactions for strongly and weakly bound projectiles

    International Nuclear Information System (INIS)

    Hugi, M.; Lang, J.; Mueller, R.; Ungricht, E.; Bodek, K.; Jarczyk, L.; Kamys, B.; Magiera, A.; Strzalkowski, A.; Willim, G.

    1981-01-01

    The interaction of 6 Li, 9 Be and 12 C projectiles with a 28 Si target was investigated by measuring the angular distributions of the elasitcally scattered projectiles and of the emitted protons, deuterons and α-particles. The experiment was perfomred in order to deduce direct and compound nucleus process contributions to the total reaction cross section and to study the influence of the projectile structure on the relative importance of these two mechanisms. Optical model parameters and therefore the total reaction cross section are strongly influenced by the binding energy of the projectile. The parameters of the Glas-Mosel describing the fusion reaction vary smoothly with the atomic number. In the system 9 B + 28 Si around 50% of all reactions are direct processes even at energies near the Coulomb barrier, whereas in the other systeme the direct part amounts to 15% ( 12 C) and 30% ( 6 Li) only. (orig.)

  12. Direct inner shell ionization accompanying heavy ion fusion reactions

    International Nuclear Information System (INIS)

    Sujkowski, Z.

    1987-07-01

    51 V+ 40 Ar (180 MeV) fusion reaction is studied by means of K X-ray-particle-γ-ray coincidences. K X-ray yields associated with various evaporation residues are determined separately for two ionization processes: the direct ionization by the projectile prior to the nuclear interaction and the postcollisional ionization due to the internal conversion of γ-rays. Implications for possible measurements of nuclear reaction times are discussed. 24 refs., 9 figs., 2 tabs. (author)

  13. Study of the direct electron production in the reaction π-p at 70 GeV/c

    International Nuclear Information System (INIS)

    Hennion, P.

    1980-06-01

    This experiment tries to answer the following questions. What is the dependence with the transverse impulsion psub(T) of the production rate l/π. Are the direct leptons produced alone or by pairs. If they are produced alone, are they issued from a charm particle. Are there lepton pairs whose origin is not understood. This experiment is a collaboration between Bologne, Glasgow, Rutherford, Saclay and Turin laboratories. Data are from the CERN bubble chamber, equipped with a sensitive target. This equipment is described in the chapter one, together with experimental process. In chapter two, results on single electron production are given. Pairs production is studied in chapter three. Pairs issuing from the π zero decay in e + , e - and gamma are also analyzed [fr

  14. Chemical reactions directed Peptide self-assembly.

    Science.gov (United States)

    Rasale, Dnyaneshwar B; Das, Apurba K

    2015-05-13

    Fabrication of self-assembled nanostructures is one of the important aspects in nanoscience and nanotechnology. The study of self-assembled soft materials remains an area of interest due to their potential applications in biomedicine. The versatile properties of soft materials can be tuned using a bottom up approach of small molecules. Peptide based self-assembly has significant impact in biology because of its unique features such as biocompatibility, straight peptide chain and the presence of different side chain functionality. These unique features explore peptides in various self-assembly process. In this review, we briefly introduce chemical reaction-mediated peptide self-assembly. Herein, we have emphasised enzymes, native chemical ligation and photochemical reactions in the exploration of peptide self-assembly.

  15. Directed transverse flow and its disappearance for asymmetric reactions

    International Nuclear Information System (INIS)

    Lovejot; Gautam, S.

    2014-01-01

    We study the directed transverse flow for mass asymmetry reactions. This is done by keeping the target fixed and varying the projectile mass from 4 He to 131 Xe. We find that directed transverse flow is sensitive to the mass of the projectile. We also study the disappearance of flow at a particular impact parameter called Geometry of Vanishing Flow (GVF) for such mass asymmetry reactions. Our results indicate that GVF is sensitive to the beam energy as well as to the mass of the projectile.

  16. Direct interaction in nuclear reactions: a theory; L'interaction directe dans les reactions nucleaires: theorie

    Energy Technology Data Exchange (ETDEWEB)

    Dominicis, C.T. de [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1959-07-01

    General treatment of the foundations of direct interaction in nuclear reactions; representation of the instantaneous elastic scattering amplitude by the scattering amplitude due to a complex potential; expansion of the instantaneous inelastic scattering amplitude and discussion of the 1. Bohr approximation (distorted waves) contribution to individual and collective states of excitation. (author) [French] Expose general sur les fondements de l'interaction directe dans les reactions nucleaires; representation de l'amplitude de diffusion instantanee elastique par celle due a un potentiel complexe; developpement de l'amplitude de diffusion instantanee inelastique et discussion de la contribution de la premiere approximation de Bohr (sur des distendues) a l'excitation d'etats individuels et collectifs. (auteur)

  17. Droplet heat transfer and chemical reactions during direct containment heating

    International Nuclear Information System (INIS)

    Baker, L. Jr.

    1986-01-01

    A simplified model of heat transfer and chemical reaction has been adapted to evaluate the expected behavior of droplets containing unreacted Zircaloy and stainless steel moving through the containment atmosphere during postulated accidents involving direct containment heating. The model includes internal and external diffusive resistances to reaction. The results indicate that reactions will be incomplete for many conditions characteristic of direct containment heating sequences

  18. Direct injection of superheated steam for continuous hydrolysis reaction

    KAUST Repository

    Wang, Weicheng

    2012-09-01

    The primary intent for previous continuous hydrolysis studies was to minimize the reaction temperature and reaction time. In this work, hydrolysis is the first step of a proprietary chemical process to convert lipids to sustainable, drop-in replacements for petroleum based fuels. To improve the economics of the process, attention is now focused on optimizing the energy efficiency of the process, maximizing the reaction rate, and improving the recovery of the glycerol by-product. A laboratory-scale reactor system has been designed and built with this goal in mind.Sweet water (water with glycerol from the hydrolysis reaction) is routed to a distillation column and heated above the boiling point of water at the reaction pressure. The steam pressure allows the steam to return to the reactor without pumping. Direct injection of steam into the hydrolysis reactor is shown to provide favorable equilibrium conditions resulting in a high quality of FFA product and rapid reaction rate, even without preheating the inlet water and oil and with lower reactor temperatures and lower fresh water demand. The high enthalpy of the steam provides energy for the hydrolysis reaction. Steam injection offers enhanced conditions for continuous hydrolysis of triglycerides to high-purity streams of FFA and glycerol. © 2012 Elsevier B.V.

  19. Direct nuclear reaction experiments for stellar nucleosynthesis

    International Nuclear Information System (INIS)

    Cherubini, S.

    2016-01-01

    During the last two decades indirect methods where proposed and used in many experiments in order to measure nuclear cross sections between charged particles at stellar energies. These are among the lowest to be measured in nuclear physics. One of these methods, the Trojan Horse method, is based on the Quasi- Free reaction mechanism and has proved to be particularly flexible and reliable. It allowed for the measurement of the cross sections of various reactions of astrophysical interest using stable beams. The use and reliability of indirect methods become even more important when reactions induced by Radioactive Ion Beams are considered, given the much lower intensity generally available for these beams. The first Trojan Horse measurement of a process involving the use of a Radioactive Ion Beam dealt with the "1"8F(p,α)"1"5O process in Nova conditions. To obtain pieces of information on this process, in particular about its cross section at Nova energies, the Trojan Horse method was applied to the "1"8F(d,α "1"5O)n three body reaction. In order to establish the reliability of the Trojan Horse method approach, the Treiman-Yang criterion is an important test and it will be addressed briefly in this paper.

  20. Experimental and modeling study of high performance direct carbon solid oxide fuel cell with in situ catalytic steam-carbon gasification reaction

    Science.gov (United States)

    Xu, Haoran; Chen, Bin; Zhang, Houcheng; Tan, Peng; Yang, Guangming; Irvine, John T. S.; Ni, Meng

    2018-04-01

    In this paper, 2D models for direct carbon solid oxide fuel cells (DC-SOFCs) with in situ catalytic steam-carbon gasification reaction are developed. The simulation results are found to be in good agreement with experimental data. The performance of DC-SOFCs with and without catalyst are compared at different operating potential, anode inlet gas flow rate and operating temperature. It is found that adding suitable catalyst can significantly speed up the in situ steam-carbon gasification reaction and improve the performance of DC-SOFC with H2O as gasification agent. The potential of syngas and electricity co-generation from the fuel cell is also evaluated, where the composition of H2 and CO in syngas can be adjusted by controlling the anode inlet gas flow rate. In addition, the performance DC-SOFCs and the percentage of fuel in the outlet gas are both increased with increasing operating temperature. At a reduced temperature (below 800 °C), good performance of DC-SOFC can still be obtained with in-situ catalytic carbon gasification by steam. The results of this study form a solid foundation to understand the important effect of catalyst and related operating conditions on H2O-assisted DC-SOFCs.

  1. Directed Neutron Beams From Inverse Kinematic Reactions

    Science.gov (United States)

    Vanhoy, J. R.; Guardala, N. A.; Glass, G. A.

    2011-06-01

    Kinematic focusing of an emitted fairly mono-energetic neutron beam by the use of inverse-kinematic reactions, i.e. where the projectile mass is greater than the target atom's mass, can provide for the utilization of a significant fraction of the fast neutron yield and also provide for a safer radiation environment. We examine the merit of various neutron production reactions and consider the practicalities of producing the primary beam using the suitable accelerator technologies. Preliminary progress at the NSWC-Carderock Positive Ion Accelerator Facility is described. Possible important applications for this type of neutron-based system can be both advanced medical imaging techniques and active "stand-off" interrogation of contraband items.

  2. Toward Direct Reaction-in-Flight Measurements

    Science.gov (United States)

    Wilhelmy, Jerry; Bredeweg, Todd; Fowler, Malcolm; Gooden, Matthew; Hayes, Anna; Rusev, Gencho; Caggiano, Joseph; Hatarik, Robert; Henry, Eugene; Tonchev, Anton; Yeaman, Charles; Bhike, Megha; Krishichayan, Krishi; Tornow, Werner

    2016-03-01

    At the National Ignition Facility (NIF) neutrons having energies greater than the equilibrium 14.1 MeV value can be produced via Reaction-in-Flight (RIF) interactions between plasma atoms and upscattered D or T ions. The yield and spectrum of these RIF produced neutrons carry information on the plasma properties as well as information on the stopping power of ions under plasma conditions. At NIF the yield of these RIF neutrons is predicted to be 4-7 orders of magnitude below the peak 14 MeV neutron yield. The current generation of neutron time of flight (nTOF) instrumentation has so far been incapable of detecting these low-yield neutrons primarily due to high photon backgrounds. To date, information on RIF neutrons has been obtained in integral activation experiments using reactions with high energy thresholds such as 169Tm(n,3n)167Tm and 209Bi(n,4n) 206Bi. Initial experiments to selectively suppress photon backgrounds have been performed at TUNL using pulsed monoenergetic neutron beams of 14.9, 18.5, 24.2, and 28.5 MeV impinging on a Bibenzyl scintillator. By placing 5 cm of Pb before the scintillator we were able to selectively suppress the photons from the flash occurring at the production target and enhance the n/_signal by ~6 times.

  3. Effect of Diabetes Mellitus on Tuberculosis Treatment Outcome and Adverse Reactions in Patients Receiving Directly Observed Treatment Strategy in India: A Prospective Study

    Directory of Open Access Journals (Sweden)

    Ali Nasir Siddiqui

    2016-01-01

    Full Text Available Despite successful implementation of directly observed treatment, short course (DOTS in India, the growing number of diabetes mellitus (DM patients appears to be a cause in the increasing tuberculosis (TB incidence, affecting their management. In this regard, a prospective study was conducted on DOTS patients in three primary health care centers in urban slum region of South Delhi, India, to evaluate the effect of DM on sputum conversion, treatment outcome, and adverse drug reactions (ADR due to anti-TB treatment. Eligible TB patients underwent blood glucose screening at treatment initiation. Disease presentation, clinical outcome, and ADRs were compared between patients of TB with and without DM. Out of 316 patients, the prevalence of DM was found to be 15.8%, in which 19.4% and 9.6% were PTB and EPTB patients, respectively. DM patients have observed higher sputum positivity (OR 1.247 95% CI; 0.539–2.886 at the end of 2-month treatment and poor outcome (OR 1.176 95% CI; 0.310–4.457 at the completion of treatment compared with non DM patients. Presence of DM was significantly associated (OR 3.578 95% CI; 1.114–11.494, p=0.032 with the development of ADRs. DM influences the treatment outcome of PTB patients in our setting and also on the ADR incidence.

  4. On the treatment of exchange effects in direct reactions

    International Nuclear Information System (INIS)

    Bencze, G.; Chandler, C.; Argonne National Lab., IL; New Mexico Univ., Albuquerque

    1985-01-01

    Exchange effects in direct reactions are investigated in the framework of the general algebraic theory of identical particle scattering. It is shown that effects due to the permutation symmetry of the system can be separated from the treatment of reaction dynamics. Dynamical aspects of the problem are investigated within the framework of the channel coupling class of N-body theories. (orig.)

  5. STUDIES ON ENDOTHELIAL REACTIONS

    Science.gov (United States)

    Foot, Nathan Chandler

    1923-01-01

    operative. On the other hand, there may be an increase in the phagocytic activity of the endothelium of the sinusoids which might take up more bacteria under these changed conditions. Several investigators have claimed, recently, that there is an increased activity of the liver endothelium following splenectomy, their experiments being directed chiefly toward determining the fate of the erythrocytes. Pearce (1918) in reporting the effects of experimental splenectomy in dogs, states that there are definite compensatory changes in the lymph nodes, in the form of an increased proliferation of endothelial phagocytes, and that the stellate cells of the liver sinusoids often show a similar compensatory increase in number. In both cases the cells are, apparently, formed in situ rather than transported to the organs. He says: ‘Such findings suggest the development of a compensatory function on the part of the lymph-nodes and possibly the liver,’ and suggests that, in times of stress ‘the stellate cells of the liver thus assume, in part at least, the function of destroying red blood-corpuscles by phagocytosis.’ Incidentally, he presents an excellent discussion of the history and subject of splenectomy. Motohashi (1922) reports a great increase in the hemophagic power of the hepatic endothelium and an increase in the number of endothelial elements, after some 45 days following splenectomy in rabbits. Nishikawa and Takagi (1922) have observed similar phenomena with white rats, the Kupffer cells taking up erythrocytes in large numbers in splenectomized animals, whereas controls never show similar propensities on the part of these cells. It may be that different substances cause different reactions on the part of the hepatic endothelium. Contributory Experiment.—A side experiment was performed with five rabbits, two splenectomized and three controls, into which uniform doses of pneumococci were injected intravenously. They all died of septicemia after a few days. The results

  6. Primary care patients' views and decisions about, experience of and reactions to direct-to-consumer genetic testing: a longitudinal study.

    Science.gov (United States)

    Wasson, Katherine; Sanders, Tonya Nashay; Hogan, Nancy S; Cherny, Sara; Helzlsouer, Kathy J

    2013-10-01

    Little is known about the decisions and perspectives of participants undergoing direct-to-consumer genetic testing (DTCGT). The aims of this study were to examine the views, attitudes and decision-making factors of primary care patients regarding DTCGT. Their experience of and reactions to testing also emerged during the study. In this longitudinal, qualitative study, 20 primary care patients participated in DTCGT and individual interviews: (1) prior to testing after the informed consent session, (2) after receiving results, (3) 3 months post-test, and (4) 12 months post-test. Interviews included open-ended questions and all transcripts were analyzed using grounded theory, constant comparison methods. Five key themes emerged from data analysis as participants underwent DTCGT and reflected on their decision over time: (1) limited concerns about DTCGT, (2) motivations for testing, (3) expectations of testing, (4) understanding of results, and (5) impact of testing and results. While a few participants expressed concerns before testing, participants were motivated to test by curiosity, gaining actionable knowledge, and altruism. Most were uncertain of what to expect from DTCGT and needed assistance in understanding results. While many reported testing had no significant impact on them, being relieved or pleased after testing was the most common emotional effect. Notably, a few participants made positive health changes in response to testing. Given the paucity of information about primary care patients and DTCGT, this study adds more in-depth information to the emerging research on how such participants' view, make decisions about, experience and react to DTCGT over time. Because uncertainty remains about the accuracy of DTCGT, the response of primary care patients to this testing requires further investigation.

  7. Direct injection of superheated steam for continuous hydrolysis reaction

    KAUST Repository

    Wang, Weicheng; Turner, Timothy L.; Roberts, William L.; Stikeleather, Larry F.

    2012-01-01

    The primary intent for previous continuous hydrolysis studies was to minimize the reaction temperature and reaction time. In this work, hydrolysis is the first step of a proprietary chemical process to convert lipids to sustainable, drop

  8. Statistical theory of multi-step compound and direct reactions

    International Nuclear Information System (INIS)

    Feshbach, H.; Kerman, A.; Koonin, S.

    1980-01-01

    The theory of nuclear reactions is extended so as to include a statistical treatment of multi-step processes. Two types are distinguished, the multi-step compound and the multi-step direct. The wave functions for the system are grouped according to their complexity. The multi-step direct process involves explicitly those states which are open, while the multi-step compound involves those which are bound. In addition to the random phase assumption which is applied differently to the multi-step direct and to the multi-step compound cross-sections, it is assumed that the residual interaction will have non-vanishing matrix elements between states whose complexities differ by at most one unit. This is referred to as the chaining hypothesis. Explicit expressions for the double differential cross-section giving the angular distribution and energy spectrum are obtained for both reaction types. The statistical multi-step compound cross-sections are symmetric about 90 0 . The classical statistical theory of nuclear reactions is a special limiting case. The cross-section for the statistical multi-step direct reaction consists of a set of convolutions of single-step direct cross-sections. For the many step case it is possible to derive a diffusion equation in momentum space. Application is made to the reaction 181 Ta(p,n) 181 W using the statistical multi-step compound formalism

  9. Characterization of low energy radioactive beams using direct reactions

    DEFF Research Database (Denmark)

    Johansen, J.G.; Fraser, M.A.; Bildstein, V.

    2013-01-01

    We demonstrate a new technique to determine the beam structure of low energy radioactive beams using coincidence events from a direct reaction. The technique will be described and tested using Geant4 simulations. We use the technique to determine for the first time the width, divergence and energy...

  10. Direct activation of allylic alcohols in palladium catalyzed coupling reactions

    NARCIS (Netherlands)

    Gümrükçü, Y.

    2014-01-01

    The direct use of allylic alcohols in substitution reactions without pre-activation of the hydroxyl-group into a better leaving group or the use of additional stoichiometric in situ activators remains challenging due to the poor leaving group ability of the hydroxyl-group. Hence, it is important to

  11. On the treatment of exchange effects in direct reactions

    International Nuclear Information System (INIS)

    Bencze, Gy.

    1984-11-01

    In the theoretical description of direct nuclear reactions the dynamic effects are combined with 'kinematical' effects due to the quantum mechanical exchange interaction caused by the Pauli principle governing the mechanics of identical particles. In the present paper it is shown that in the frame of general algebraic theory of identical particle scattering the effects of the permutational symmetry of nucleons can be separated on an exact way from the treatment of reaction dynamics. Dynamical approximations may be used only after the separation of permutational effects. (D.Gy.)

  12. Two-component multistep direct reactions: A microscopic approach

    International Nuclear Information System (INIS)

    Koning, A.J.; Chadwick, M.B.

    1998-03-01

    The authors present two principal advances in multistep direct theory: (1) A two-component formulation of multistep direct reactions, where neutron and proton excitations are explicitly accounted for in the evolution of the reaction, for all orders of scattering. While this may at first seem to be a formidable task, especially for multistep processes where the many possible reaction pathways becomes large in a two-component formalism, the authors show that this is not so -- a rather simple generalization of the FKK convolution expression 1 automatically generates these pathways. Such considerations are particularly relevant when simultaneously analyzing both neutron and proton emission spectra, which is always important since these processes represent competing decay channels. (2) A new, and fully microscopic, method for calculating MSD cross sections which does not make use of particle-hole state densities but instead directly calculates cross sections for all possible particle-hole excitations (again including an exact book-keeping of the neutron/proton type of the particle and hole at all stages of the reaction) determined from a simple non-interacting shell model. This is in contrast to all previous numerical approaches which sample only a small number of such states to estimate the DWBA strength, and utilize simple analytical formulae for the partial state density, based on the equidistant spacing model. The new approach has been applied, along with theories for multistep compound, compound, and collective reactions, to analyze experimental emission spectra for a range of targets and energies. The authors show that the theory correctly accounts for double-differential nucleon spectra

  13. Theoretical studies of chemical reaction dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Schatz, G.C. [Argonne National Laboratory, IL (United States)

    1993-12-01

    This collaborative program with the Theoretical Chemistry Group at Argonne involves theoretical studies of gas phase chemical reactions and related energy transfer and photodissociation processes. Many of the reactions studied are of direct relevance to combustion; others are selected they provide important examples of special dynamical processes, or are of relevance to experimental measurements. Both classical trajectory and quantum reactive scattering methods are used for these studies, and the types of information determined range from thermal rate constants to state to state differential cross sections.

  14. Direct single-molecule dynamic detection of chemical reactions.

    Science.gov (United States)

    Guan, Jianxin; Jia, Chuancheng; Li, Yanwei; Liu, Zitong; Wang, Jinying; Yang, Zhongyue; Gu, Chunhui; Su, Dingkai; Houk, Kendall N; Zhang, Deqing; Guo, Xuefeng

    2018-02-01

    Single-molecule detection can reveal time trajectories and reaction pathways of individual intermediates/transition states in chemical reactions and biological processes, which is of fundamental importance to elucidate their intrinsic mechanisms. We present a reliable, label-free single-molecule approach that allows us to directly explore the dynamic process of basic chemical reactions at the single-event level by using stable graphene-molecule single-molecule junctions. These junctions are constructed by covalently connecting a single molecule with a 9-fluorenone center to nanogapped graphene electrodes. For the first time, real-time single-molecule electrical measurements unambiguously show reproducible large-amplitude two-level fluctuations that are highly dependent on solvent environments in a nucleophilic addition reaction of hydroxylamine to a carbonyl group. Both theoretical simulations and ensemble experiments prove that this observation originates from the reversible transition between the reactant and a new intermediate state within a time scale of a few microseconds. These investigations open up a new route that is able to be immediately applied to probe fast single-molecule physics or biophysics with high time resolution, making an important contribution to broad fields beyond reaction chemistry.

  15. An exploratory study of adolescent female reactions to direct-to-consumer advertising: the case of the Human Papillomavirus (HPV) Vaccine.

    Science.gov (United States)

    Leader, Amy E; Cashman, Rebecca; Voytek, Chelsea D; Baker, Jillian L; Brawner, Bridgette M; Frank, Ian

    2011-10-01

    When the human papillomavirus (HPV) vaccine was approved in 2006, an extensive direct-to-consumer (DTC) advertising campaign raised awareness and promoted vaccination. This study explores adolescents' exposure to and understanding of the messages in these advertisements. Sixty-seven African American females participated in a focus group about DTC advertising for the HPV vaccine. Virtually all adolescents had seen an HPV vaccine DTC advertisement, but most did not understand the health information contained in it. If DTC advertising is to be an effective source of health information for adolescents in the future, it must take into account the unique features of an adolescent audience.

  16. Direct nuclear reactions and the structure of atomic nuclei

    International Nuclear Information System (INIS)

    Osterfeld, F.

    1985-01-01

    The present thesis deals with two different aspects of direct nuclear reactions, namely on the one hand with the microscopic calculation of the imaginary optical potential for the elastic nucleon-nucleus scattering as well as on the other hand with the microscopic analysis of giant magnetic resonances in atomic nuclei which are excited by (p,n) charge-exchange reactions. In the first part of the thesis the imaginary part of the optical potential for the elastic proton- and neutron-nucleus scattering is microscopically calculated in the framework of the so called nuclear-structure approximation to the optical potential. The calculations are performed in the Feshbach formalism in second-order perturbation theory corresponding to an effective projectile-target-nucleon interaction. In the second part of this thesis in the framework of microscopic nuclear models a complete analysis of different A(p,n)B charge-exchange reactions at high incident energies 160 MeV 90 Zr(p,n) reaction three collective spin-isospin resonances could be uniquely identified. (orig./HSI) [de

  17. Multi-step direct reactions at low energies

    International Nuclear Information System (INIS)

    Marcinkowski, A.; Marianski, B.

    2001-01-01

    Full text: The theory of the multistep direct (MSD) reactions of Feshbach, Kerman and Koonin has for quite some time become a subject of controversy due to the bi orthogonal distorted waves involved in the transition amplitudes describing the MSD cross sections. The bi orthogonal wave functions result in non-normal DWBA matrix elements, that can be expressed in terms of normal DWBA matrix elements multiplied by the inverse elastic scattering S-matrix. It has been argued that the enhancing inverse S-factors are washed out by averaging over energy in the continuum. As a result normal DWBA matrix elements are commonly used in practical calculations. Almost all analyses of inelastic scattering and charge-exchange reactions using the DWBA matrix elements have concluded that nucleon emission at low energies can be described as one-step reaction mainly. On the other hand, it has been shown that the limits imposed by the energy weighted sum rules (EWSR's) on transition of given angular momentum transfer lead to a significant reduction of the one step cross section that can be compensated by the enhanced MSD cross sections obtained with the use of the non-normal DWBA matrix elements. Very recently the MSD theory of FKK was modified to include collective excitations and the non-normal DWBA matrix elements and the prescription for calculations of the cross sections for the MSD reactions was given. In the present paper we present the results of the modified theory used for describing the 93 Nb (n,xn) 93 Nb reaction at incident energy of 20 MeV and the 65 Cu (p,xn) 65 Zn reaction at 27 MeV. The results show enhanced contributions from two-, three- and four step reactions. We investigate the importance of the multi-phonon, multi particle hole and the mixed particle hole-phonon excitations in neutron scattering to the continuum. We also show the importance of the different sequences of collisions of the leading continuum nucleon that contribute to the MSD (p,n) reaction. When all

  18. Action and reaction in the theories of direct interparticle action

    International Nuclear Information System (INIS)

    Narlikar, J.V.

    1975-01-01

    Newton's third law of motion is examined in the context of the theories of direct interpaticle action. In such theories, interactions between particles travel backward and forward in time at speeds not exceeding the speed of light. It is shown that while in the flat spacetime the equality of action and reaction can be clearly demonstrated, the situation is considerably more complicated in the curved spacetime. The phenomenon of gravitational scattering intervenes to destroy the equality of action and reaction. Nevertheless, when gravitation is taken into account, there is no violation of the conservation law of energy and momentum. These results are discussed in the framework of general relativity for the case of the electromagnetic interaction

  19. The statistics of multi-step direct reactions

    International Nuclear Information System (INIS)

    Koning, A.J.; Akkermans, J.M.

    1991-01-01

    We propose a quantum-statistical framework that provides an integrated perspective on the differences and similarities between the many current models for multi-step direct reactions in the continuum. It is argued that to obtain a statistical theory two physically different approaches are conceivable to postulate randomness, respectively called leading-particle statistics and residual-system statistics. We present a new leading-particle statistics theory for multi-step direct reactions. It is shown that the model of Feshbach et al. can be derived as a simplification of this theory and thus can be founded solely upon leading-particle statistics. The models developed by Tamura et al. and Nishioka et al. are based upon residual-system statistics and hence fall into a physically different class of multi-step direct theories, although the resulting cross-section formulae for the important first step are shown to be the same. The widely used semi-classical models such as the generalized exciton model can be interpreted as further phenomenological simplifications of the leading-particle statistics theory. A more comprehensive exposition will appear before long. (author). 32 refs, 4 figs

  20. Direct Reaction of Amides with Nitric Oxide To Form Diazeniumdiolates

    Science.gov (United States)

    2015-01-01

    We report the apparently unprecedented direct reaction of nitric oxide (NO) with amides to generate ions of structure R(C=O)NH–N(O)=NO–, with examples including R = Me (1a) or 3-pyridyl (1b). The sodium salts of both released NO in pH 7.4 buffer, with 37 °C half-lives of 1–3 min. As NO-releasing drug candidates, diazeniumdiolated amides would have the advantage of generating only 1 equiv of base on hydrolyzing exhaustively to NO, in contrast to their amine counterparts, which generate 2 equiv of base. PMID:25210948

  1. A study on sodium-concrete reaction

    Energy Technology Data Exchange (ETDEWEB)

    Pae, Jae Huem; Min, Byung Hoon; Lee, Joon Sik; Lee, Choong Hui; Chung, Ki Hong; Keum, Choong Ki [Suwon University, Suwon (Korea, Republic of)

    1994-07-15

    Sodium is commonly used as a coolant in liquid metal reactor. A large amount of its leakage may be possible in hypothetical accidents, even though the possibility is very low. In case that the leaked hot sodium comes in direct contact with structural concrete of liquid metal reactor, the reactor`s integrity can be challenged by the rupture of structure materials, hydrogen generation and its explosion, and release of radioactive aerosols due to sodium-concrete reaction. The knowledge of sodium-concrete reaction is evaluated to be one of the important and indispensable technologies for the establishment of safety measure in liquid metal reactor. In this study, the experimental facility of sodium-concrete reaction is to be designed, constructed and operated. And the reaction phenomena of sodium-concrete reaction is also to be analyzed through the experimental results. The aim of this study is to establish the measure of safety and protection for sodium-related facilities and to secure one of the fundamental technologies of liquid metal reactor safety. 47 refs., 7 figs., 13 tab.

  2. Direct observation of an isopolyhalomethane O-H insertion reaction with water: Picosecond time-resolved resonance Raman (ps-TR3) study of the isobromoform reaction with water to produce a CHBr2OH product

    International Nuclear Information System (INIS)

    Kwok, W.M.; Zhao Cunyuan; Li Yunliang; Guan Xiangguo; Phillips, David Lee

    2004-01-01

    Picosecond time-resolved resonance Raman (ps-TR 3 ) spectroscopy was used to obtain the first definitive spectroscopic observation of an isopolyhalomethane O-H insertion reaction with water. The ps-TR 3 spectra show that isobromoform is produced within several picoseconds after photolysis of CHBr 3 and then reacts on the hundreds of picosecond time scale with water to produce a CHBr 2 OH reaction product. Photolysis of low concentrations of bromoform in aqueous solution resulted in noticeable formation of HBr strong acid. Ab initio calculations show that isobromoform can react with water to produce a CHBr 2 (OH) O-H insertion reaction product and a HBr leaving group. This is consistent with both the ps-TR 3 experiments that observe the reaction of isobromoform with water to form a CHBr 2 (OH) product and photolysis experiments that show HBr acid formation. We briefly discuss the implications of these results for the phase dependent behavior of polyhalomethane photochemistry in the gas phase versus water solvated environments

  3. Form factors in (HI,HI') direct reactions

    International Nuclear Information System (INIS)

    Chu, Y.H.

    1981-01-01

    Using the semiclassical theory, the inelastic transition form factors are analyzed. For the first order form factors, we find that: (i) In the strong absorption limit, the Austern-Blair theory is a good approximation to the inelastic form factor--even in highly mismatched reactions. (ii) In weak to moderate absorption, the amplitude of the inelastic form factor oscillates due to overlapping potential resonances. The internal part of the form factor can be expressed in a simple form, which may easily be used to analyze heavy-ion inelastic scattering. (iii) In the presence of an isolated resonance, the inelastic form factor is enhanced greatly at the resonance due to multiple reflections inside the potential well. The second order form factors contain two terms, i.e. the one-step direct process (OSD) term and the two-step process (TS) term. It is found that: (i) In the strong absorption limit, OSD and TS form factors are equally important and interfere destructively near the grazing angular momentum. The Austern-Blair theory gives satisfactory results for well-matched reactions. The angular distributions of the mutual and double excitations are out of phase compared with that of the single excitation. (ii) For the weak absorption case, the internal part of the TS form factor is so enhanced that the OSD form factor can simply be neglected. The internal TS form factor can be parameterized in a form proportional to the internal-wave elastic Smatrix, where the angular distribution shows characteristically refractive phenomenon

  4. Alternative statistics in multi-step direct reaction theory

    International Nuclear Information System (INIS)

    Koning, A.J.

    1990-06-01

    In recent years a variety of statistical theories have been developed concerning multistep direct (MSD) nuclear reactions. In addition, dominant in applications is a whole class of semiclassical models that may be subsumed under the heading of 'generalized exciton model': these are basically MSD-type extensions on top of compound-like concepts. In this report the relationship between their underlying statistical MSD-postulates are highlighted. A common framework is sketched that enables to generate the various MSD theories through assigning statistical properties to different parts of the nuclear Hamiltonian. Then it is shown that distinct forms of nuclear randomness are embodied in the mentioned theories. All these theories appear to be very similar at a qualitative level. In order to explain the high-energy tails and forward-peaked angular distribution typical for particles emitted in MSD reactions, it is imaged that the incident continuum particle stepwise looses its energy and direction in a sequence of collisions, thereby creating new particle-hole pairs in the target system. At each step emission may take place. The statistical aspect comes in because many continuum states are involved in the process. These are supposed to display chaotic behavior, the associated randomness assumption giving rise to important simplifications in the expressions for the MSD emission cross sections. This picture suggests that the mentioned MSD models can be interpreted as variants of essentially one and the same theory. However, this appears not to be the case. To show this the usual MSD distinction within the composite reacting nucleus between the fast continuum particle and the residual system is introduced. One implication is that the mutual residual interactions of the nucleons of the residual core are to be distinguished from those of the leading particle with the residual system. This distinction will turn out to be central to the present analysis. (author). 14 refs.; 4

  5. Models of direct reactions and quantum pre-equilibrium for nucleon scattering on spherical nuclei

    International Nuclear Information System (INIS)

    Dupuis, M.

    2006-01-01

    When a nucleon collides with a target nucleus, several reactions may occur: elastic and inelastic scatterings, charge exchange... In order to describe these reactions, different models are involved: the direct reactions, pre-equilibrium and compound nucleus models. Our goal is to study, within a quantum framework and without any adjustable parameter, the direct and pre-equilibrium reactions for nucleons scatterings off double closed-shell nuclei. We first consider direct reactions: we are studying nucleon scattering with the Melbourne G-matrix, which represents the interaction between the projectile and one target nucleon, and with random phase approximation (RPA) wave functions which describe all target states. This is a fully microscopic approach since no adjustable parameters are involved. A second part is dedicated to the study of nucleon inelastic scattering for large energy transfer which necessarily involves the pre-equilibrium mechanism. Several models have been developed in the past to deal with pre-equilibrium. They start from the Born expansion of the transition amplitude which is associated to the inelastic process and they use several approximations which have not yet been tested. We have achieved some comparisons between second order cross sections which have been calculated with and without these approximations. Our results allow us to criticize some of these approximations and give several directions to improve the quantum pre-equilibrium models. (author)

  6. Application of multi-step direct reaction theory to 14 MeV neutron reaction, 3 (n,. cap alpha. )

    Energy Technology Data Exchange (ETDEWEB)

    Kumabe, I.; Matoba, M.; Fukuda, K. [Kyushu Univ., Fukuoka (Japan). Faculty of Engineering; Ikegami, H.; Muraoka, M [eds.

    1980-01-01

    Multi-step direct-reaction theory proposed by Tamura et al. has been applied to continuous spectra of the 14 MeV (n, ..cap alpha..) reaction with some modifications. Calculated results reproduce well the experimental energy and angular distributions of the 14 MeV (n, ..cap alpha..) reactions.

  7. Theoretical intercomparison of multi-step direct reaction models and computational intercomparison of multi-step direct reaction models

    International Nuclear Information System (INIS)

    Koning, A.J.

    1992-08-01

    In recent years several statistical theories have been developed concerning multistep direct (MSD) nuclear reactions. In addition, dominant in applications is a whole class of semiclassical models that may be subsumed under the heading of 'generalized exciton models'. These are basically MSD-type extensions on top of compound-like concepts. In this report the relationship between their underlying statistical MSD-postulates is highlighted. A command framework is outlined that enables to generate the various MSD theories through assigning statistical properties to different parts of the nuclear Hamiltonian. Then it is shown that distinct forms of nuclear randomness are embodied in the mentioned theories. All these theories appear to be very similar at a qualitative level. In order to explain the high energy-tails and forward-peaked angular distribution typical for particles emitted in MSD reactions, it is imagined that the incident continuum particle stepwise looses its energy and direction in a sequence of collisions, thereby creating new particle-hole pairs in the target system. At each step emission may take place. The statistical aspect comes in because many continuum states are involved in the process. These are supposed to display chaotic behavior, the associated randomness assumption giving rise to important simplifications in the expression for MSD emission cross sections. This picture suggests that mentioned MSD models can be interpreted as a variant of essentially one and the same theory. However, this appears not to be the case. To show this usual MSD distinction within the composite reacting nucleus between the fast continuum particle and the residual interactions, the nucleons of the residual core are to be distinguished from those of the leading particle with the residual system. This distinction will turn out to be crucial to present analysis. 27 refs.; 5 figs.; 1 tab

  8. Theory of nuclear heavy-ion direct transfer reactions

    International Nuclear Information System (INIS)

    Crowley, B.J.B.

    1979-01-01

    We review the distorted-wave approach to direct transfer reactions and draw attention to some of the shortcomings of current theories. We show that a reformulated form of the distorted-wave Born approximation (DWBA) for transfer can lead to important simplifications of the theory, which are valid for nuclear heavy-ion induced reactions at energies > or approx. =MeV/nucleon. In particular, in the semiclassical limit, it leads to a new and simple formula for the transfer t-matrix which includes all the essential physics while offering several important advantages over standard ''full-recoil finite-range'' DWBA. One such advantage is that the new formula is more transparent in that it is amendable to interpretation and analytical manipulation. At high-energy it is shown to reduce to one earlier deduced using eikonal-DWBA. The conditions for the validity of the new theory are discussed in detail. They are shown to be generally well satisfied for small-mass transfer between heavy-ions at energies at or above those particularly favour transfer (> or approx. =10 MeV/nucleon for transfer of valence nucleons). The restriction to small mass is not due to any recoil approximation; in fact, it is only a necessary restriction at certain energies. The theory treats recoil exactly. Consideration of the optimum dynamical conditions for transfer leads to a set of matching conditions. The presence of hitherto neglected absorption, arising from dynamical effects of poor matching, it suggested and qualitatively discussed. Condition under which such absorption may be neglected are derived. Results of numerical calculations are presented showing that the theory is capable of good agreement with standard full-recoil finite-range DWBA, and that it is capable of giving at least as good an account of experimental data for nucleon-transfer between heavy-ions at energies approx.10 MeV/nucleon

  9. [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)

  10. Comparison of TiO2 photocatalysis, electrochemically assisted Fenton reaction and direct electrochemistry for simulation of phase I metabolism reactions of drugs

    NARCIS (Netherlands)

    Ruokolainen, Miina; Gül, Turan; Permentier, Hjalmar; Sikanen, Tiina; Kostiainen, Risto; Kotiaho, Tapio

    2016-01-01

    The feasibility of titanium dioxide (TiO2) photocatalysis, electrochemically assisted Fenton reaction (EC-Fenton) and direct electrochemical oxidation (EC) for simulation of phase I metabolism of drugs was studied by comparing the reaction products of buspirone, promazine, testosterone and

  11. Experimental Study of Serpentinization Reactions

    Science.gov (United States)

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

    2004-01-01

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

  12. Recent results on fusion and direct reactions with weakly bound stable nuclei

    International Nuclear Information System (INIS)

    Shrivastava, A.

    2011-01-01

    Recent measurements of fusion and direct reactions in case of weakly bound stable nuclei at extreme sub-barrier energies using a sensitive off beam technique are presented. First section deals with deep sub-barrier fusion cross-section measurement for 67 Li + 198 Pt followed by the study of fragment capture reaction of 7 Li + 198 Pt. Deviation in the slope of the fusion excitation function, as observed in case of medium heavy systems, is absent in the present asymmetric systems at these low energies. This study shows the absence of fusion hindrance, suggesting modifications in models that explain deep sub-barrier fusion data to incorporate weakly bound asymmetric systems

  13. Kinetic studies of elementary chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Durant, J.L. Jr. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    This program concerning kinetic studies of elementary chemical reactions is presently focussed on understanding reactions of NH{sub x} species. To reach this goal, the author is pursuing experimental studies of reaction rate coefficients and product branching fractions as well as using electronic structure calculations to calculate transition state properties and reaction rate calculations to relate these properties to predicted kinetic behavior. The synergy existing between the experimental and theoretical studies allow one to gain a deeper insight into more complex elementary reactions.

  14. Nuclear reaction studies: Progress report

    International Nuclear Information System (INIS)

    Thaler, R.M.

    1986-01-01

    A principal focus of recent research has been the three-body problem. A great deal of effort has been devoted to the creation of a computer program to calculate physical observables in the three body problem below 1 GeV. Successful results have been obtained for the triton. Additional work concerns scattering of K + mesons from nuclei, antinucleon physics, relativistic nuclear physics and inclusive reactions

  15. Classical kinematic model for direct reactions of oriented reagents

    International Nuclear Information System (INIS)

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

    1987-01-01

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

  16. Variational Flooding Study of a SN2 Reaction.

    Science.gov (United States)

    Piccini, GiovanniMaria; McCarty, James J; Valsson, Omar; Parrinello, Michele

    2017-02-02

    We have studied the reaction dynamics of a prototypical organic reaction using a variationally optimized truncated bias to accelerate transitions between educt and product reactant states. The asymmetric S N 2 nucleophilic substitution reaction of fluoromethane and chloromethane CH 3 F + Cl - ⇌ CH 3 Cl + F - is considered, and many independent biased molecular dynamics simulations have been performed at 600, 900, and 1200 K, collecting several hundred transitions at each temperature. The transition times and relative rate constants have been obtained for both reaction directions. The activation energies extracted from an Arrhenius plot compare well with standard static calculations.

  17. 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

  18. Chemical Reaction Engineering: Current Status and Future Directions.

    Science.gov (United States)

    Dudukovic, M. P.

    1987-01-01

    Describes Chemical Reaction Engineering (CRE) as the discipline that quantifies the interplay of transport phenomena and kinetics in relating reactor performance to operating conditions and input variables. Addresses the current status of CRE in both academic and industrial settings and outlines future trends. (TW)

  19. L1{sub 0} phase transition in FePt thin films via direct interface reaction

    Energy Technology Data Exchange (ETDEWEB)

    Li Xiaohong; Sun Hongyu; Wang Fengqing; Li Wei; Zhang Xiangyi [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, 066004 Qinhuangdao (China); Liu Baoting; Guo Jianxin [College of Physics Science and Technology, Hebei University, 071002 Baoding (China)], E-mail: xyzh66@ysu.edu.cn

    2008-12-07

    Lowering the L1{sub 0} ordering temperature of FePt films is of great significance for their application as an ultrahigh density magnetic recording medium. In this study, the L1{sub 0} ordering process of FePt thin films deposited directly on Si substrates has been significantly accelerated by the interface reaction between the thin film and the Si substrate, and thus the thin films show a low L1{sub 0} ordering temperature of T = 310 deg. C as compared with those deposited on Si/SiO{sub 2} substrates. The accelerated L1{sub 0} ordering transition is predominantly dependent on the rapid growth of the ordered domains during the interface reaction. The film thickness has an important effect on the interface reaction and thus can be used to tune the L1{sub 0} ordering process of the FePt films.

  20. L10 phase transition in FePt thin films via direct interface reaction

    International Nuclear Information System (INIS)

    Li Xiaohong; Sun Hongyu; Wang Fengqing; Li Wei; Zhang Xiangyi; Liu Baoting; Guo Jianxin

    2008-01-01

    Lowering the L1 0 ordering temperature of FePt films is of great significance for their application as an ultrahigh density magnetic recording medium. In this study, the L1 0 ordering process of FePt thin films deposited directly on Si substrates has been significantly accelerated by the interface reaction between the thin film and the Si substrate, and thus the thin films show a low L1 0 ordering temperature of T = 310 deg. C as compared with those deposited on Si/SiO 2 substrates. The accelerated L1 0 ordering transition is predominantly dependent on the rapid growth of the ordered domains during the interface reaction. The film thickness has an important effect on the interface reaction and thus can be used to tune the L1 0 ordering process of the FePt films.

  1. Parental reactions to parent- and sibling-directed aggression within a domestic violence context.

    Science.gov (United States)

    Desir, Michelle P; Karatekin, Canan

    2018-02-01

    Parent- and sibling-directed aggression by minor children are two forms of family violence that often co-occur and have strong relations to prior exposure to domestic violence, yet are often overlooked in intervention efforts. In addition, current research does not examine these forms of family violence in tandem, and there is very limited research with samples exposed to domestic violence. To better understand how these forms of aggression operate within a domestic violence context, we interviewed 44 women residing in a domestic violence shelter with at least one child over 3.5 years of age who was aggressive toward them and/or siblings. Caregivers reported on their emotional reactions to children's parent-directed aggression and the types of and effectiveness of help they sought for parent- and/or sibling-directed aggression. In line with previous literature, caregivers endorsed a complex mix of emotional reactions to their children's parent-directed aggression, including anger, sadness, guilt, forgiveness, and worthlessness. In contrast to other studies, most caregivers (89%) had sought help for children's parent- and/or sibling-directed aggression and found it effective. Findings contribute to the literature on parent- and sibling-directed aggression and provide implications for how to effectively intervene.

  2. 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.

  3. Physical organic studies of organometallic reactions

    Energy Technology Data Exchange (ETDEWEB)

    Bergman, Robert G. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States). Dept. of Chemistry

    1981-01-01

    The mechanisms of reactions of organotransition metal complexes have only begun to be understood in detail during the last ten years. The complementary interaction of techniques and concepts developed earlier in studies of organic reaction mechanisms, with those commonly used in inorganic chetnistry, has played a crucial role in helping to elucidate organor.1etall.ic reaction mechanisms. A few systems in which this interaction has proved especially fruitful are discussed in this article.

  4. Murai Reaction on Furfural Derivatives Enabled by Removable N,N'-Bidentate Directing Groups.

    Science.gov (United States)

    Pezzetta, Cristofer; Veiros, Luis F; Oble, Julie; Poli, Giovanni

    2017-06-22

    Furfural and related compounds are industrially relevant building blocks obtained from lignocellulosic biomass. To enhance the added value of these renewable resources, a Ru-catalyzed hydrofurylation of alkenes, involving a directed C-H activation at C3 of the furan ring, was developed. A thorough experimental study revealed that a bidentate amino-imine directing group enabled the desired coupling. Removal of the directing group occurred during the purification step, directly releasing the C3-functionalized furfurals. Development of the reaction as well as optimization and scope of the method were described. A mechanism was proposed on the basis of DFT calculations. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  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. Directional Track Selection Technique in CR39 SSNTD for lowyield reaction experiments

    Science.gov (United States)

    Ingenito, Francesco; Andreoli, Pierluigi; Batani, Dimitri; Bonasera, Aldo; Boutoux, Guillaume; Burgy, Frederic; Cipriani, Mattia; Consoli, Fabrizio; Cristofari, Giuseppe; De Angelis, Riccardo; Di Giorgio, Giorgio; Ducret, Jean Eric; Giulietti, Danilo; Jakubowska, Katarzyna

    2018-01-01

    There is a great interest in the study of p-11B aneutronic nuclear fusion reactions, both for energy production and for determination of fusion cross-sections at low energies. In this context we performed experiments at CELIA in which energetic protons, accelerated by the laser ECLIPSE, were directed toward a solid Boron target. Because of the small cross-sections at these energies the number of expected reactions is low. CR39 Solid-State Nuclear Track Detectors (SSNTD) were used to detect the alpha particles produced. Because of the low expected yield, it is difficult to discriminate the tracks due to true fusion products from those due to natural background in the CR39. To this purpose we developed a methodology of particle recognition according to their direction with respect to the detector normal, able to determine the position of their source. We applied this to the specific experiment geometry, so to select from all the tracks those due to particles coming from the region of interaction between accelerated protons and solid boron target. This technique can be of great help on the analysis of SSNTD in experiments with low yield reactions, but can be also generally applied to any experiment where particles reach the track detector with known directions, and for example to improve the detection limit of particle spectrometers using CR39.

  7. Spallation reactions studied with 4-detector arrays

    Indian Academy of Sciences (India)

    Recently there has been a renewed interest in the study of spallation reactions in basic nuclear physics as well as in potential applications. Spallation reactions induced by light projectiles (protons, antiprotons, pions, etc.) in the GeV range allow the formation of hot nuclei which do not suffer the collective excitations ...

  8. Resume and discussion of session on direct heavy ion reactions

    International Nuclear Information System (INIS)

    Hansen, O.

    1983-01-01

    A conference divides into sessions, but the physics does not always respect such divisions. I found the subject of barrier penetrabilities viewed in a coupled channels picture new, exciting and central to all heavy-ion reaction dynamics. The subject was discussed in bits and pieces over three different sessions, partly in the talks by Winther, Landowne, Braun-Munzinger and Broglia, and partly from the floor by the same people and by Smilanski, I have concentrated on that subject alone and I therefore must apologize to the speakers in my session who covered different material, that definitely merited further discussions. Also, I apologize to other session chairmen, whose territory I have invaded. (orig.)

  9. Direct detection of pyridine formation by the reaction of CH (CD) with pyrrole: a ring expansion reaction

    Energy Technology Data Exchange (ETDEWEB)

    Soorkia, Satchin; Taatjes, Craig A.; Osborn, David L.; Selby, Talitha M.; Trevitt, Adam J.; Wilson, Kevin R.; Leone, Stephen R.

    2010-03-16

    The reaction of the ground state methylidyne radical CH (X2Pi) with pyrrole (C4H5N) has been studied in a slow flow tube reactor using Multiplexed Photoionization Mass Spectrometry coupled to quasi-continuous tunable VUV synchrotron radiation at room temperature (295 K) and 90 oC (363 K), at 4 Torr (533 Pa). Laser photolysis of bromoform (CHBr3) at 248 nm (KrF excimer laser) is used to produce CH radicals that are free to react with pyrrole molecules in the gaseous mixture. A signal at m/z = 79 (C5H5N) is identified as the product of the reaction and resolved from 79Br atoms, and the result is consistent with CH addition to pyrrole followed by Helimination. The Photoionization Efficiency curve unambiguously identifies m/z = 79 as pyridine. With deuterated methylidyne radicals (CD), the product mass peak is shifted by +1 mass unit, consistent with the formation of C5H4DN and identified as deuterated pyridine (dpyridine). Within detection limits, there is no evidence that the addition intermediate complex undergoes hydrogen scrambling. The results are consistent with a reaction mechanism that proceeds via the direct CH (CD) cycloaddition or insertion into the five-member pyrrole ring, giving rise to ring expansion, followed by H atom elimination from the nitrogen atom in the intermediate to form the resonance stabilized pyridine (d-pyridine) molecule. Implications to interstellar chemistry and planetary atmospheres, in particular Titan, as well as in gas-phase combustion processes, are discussed.

  10. Criegee Intermediates: What Direct Production and Detection Can Teach Us About Reactions of Carbonyl Oxides

    Science.gov (United States)

    Taatjes, Craig A.

    2017-05-01

    The carbonyl oxide intermediates in the ozonolysis of alkenes, often known as Criegee intermediates, are potentially important reactants in Earth's atmosphere. For decades, careful analysis of ozonolysis systems was employed to derive an understanding of the formation and reactions of these species. Recently it has proved possible to synthesize at least some of these intermediates separately from ozonolysis, and hence to measure their reaction kinetics directly. Direct measurements have allowed new or more detailed understanding of each type of gas-phase reaction that carbonyl oxides undergo, often acting as a complement to highly detailed ozonolysis experiments. Moreover, the use of direct characterization methods to validate increasingly accurate theoretical investigations can enhance their impact well beyond the set of specific reactions that have been measured. Reactions that initiate particles or fuel their growth could be a new frontier for direct measurements of Criegee intermediate chemistry.

  11. Experimental Guidance of ISB Corrections via Direct Nuclear Reactions

    Science.gov (United States)

    Leach, K. G.; Garrett, P. E.; Ball, G. C.; Bangay, J. C.; Bianco, L.; Demand, G. A.; Faestermann, T.; Finlay, P.; Green, K. L.; Hertenberger, R.; Kriicken, R.; Phillips, A. A.; Rand, E. T.; Sumithrarachchi, C. S.; Svensson, C. E.; Towner, I. S.; Triambak, S.; Wirth, H.-F.; Wong, J.

    2011-09-01

    The most recent isospin-symmetry-breaking corrections, δc, of Towner and Hardy for superallowed Fermi β-decay transitions, have included the opening of specific core orbitals. This change has resulted in significant deviations in some of the δc factors from their previous calculations, and an improved agreement of the individual corrected Script Ft values with the overall world average of the 13 most precise cases. While this is consistent with the conserved-vector-current (CVC) hypothesis of the Standard Model, these new calculations must be thoroughly tested, and guidance must be given for the improvement of calculations for the upper-pf shell nuclei. Using the (d,t) reaction mechanism to probe the single neutron wavefunction overlap, information regarding the relevant shell-model configurations needed in the calculation can be determined. An experiment was therefore performed with a 22 MeV polarized deuterium beam from the MP tandem Van de Graaff accelerator in Munich, Germany. Using the Q3D magnetic spectrograph, and a cathode-strip focal-plane detector, outgoing tritons were analyzed at 9 angles between 10° and 60°, up to an excitation energy of 4.8 MeV. This proceeding reports the motivational and experimental details for the 64Zn(d,t)63Zn transfer work presented.

  12. Nuclear reaction studies using inverse kinematics

    International Nuclear Information System (INIS)

    Shapira, D.

    1985-01-01

    Reaction studies with reversed kinematics refer to studies of nuclear reactions induced by a heavy projectile colliding with lighter target nuclei. The technique of using reversed kinematics is costly in terms of the available center-of-mass energy. Most of the projectile's energy goes into forward motion of the reaction products in the laboratory system. Examples are presented where the use of reversed kinematics techniques has provided new information on certain reaction processes. A list of kinematic properties and advantages they may afford is shown. Clearly the possible studies listed can be done without using reversed kinematics but because of the difficulty associated with some of these studies they were never performed until more energetic heavier beams have become available and the reversed kinematics technique was utilized

  13. Complete active space second order perturbation theory (CASPT2) study of N({sup 2}D) + H{sub 2}O reaction paths on D{sub 1} and D{sub 0} potential energy surfaces: Direct and roaming pathways

    Energy Technology Data Exchange (ETDEWEB)

    Isegawa, Miho; Liu, Fengyi [Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Kyoto 606-8103 (Japan); Maeda, Satoshi [Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810 (Japan); Morokuma, Keiji, E-mail: morokuma@fukui.kyoto-u.ac.jp [Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Kyoto 606-8103 (Japan); Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322 (United States)

    2014-10-21

    We report reaction paths starting from N({sup 2}D) + H{sub 2}O for doublet spin states, D{sub 0} and D{sub 1}. The potential energy surfaces are explored in an automated fashion using the global reaction route mapping strategy. The critical points and reaction paths have been fully optimized at the complete active space second order perturbation theory level taking all valence electrons in the active space. In addition to direct dissociation pathways that would be dominant, three roaming processes, two roaming dissociation, and one roaming isomerization: (1) H{sub 2}ON → H–O(H)N → H–HON → NO({sup 2}Π) + H{sub 2}, (2) cis-HNOH → HNO–H → H–HNO → NO + H{sub 2}, (3) H{sub 2}NO → H–HNO → HNO–H → trans-HNOH, are confirmed on the D{sub 0} surface.

  14. Theoretical studies of the reactions of HCN with atomic hydrogen

    International Nuclear Information System (INIS)

    Bair, R.A.; Dunning, T.H. Jr.

    1985-01-01

    A comprehensive theoretical study has been made of the energetics of the important pathways involved in the reaction of hydrogen atoms with hydrogen cyanide. For each reaction ab initio GVB-CI calculations were carried out to determine the structures and vibrational frequencies of the reactants, transition states, and products; then POL-CI calculations were carried out to more accurately estimate the electronic contribution to the energetics of the reactions. The hydrogen abstraction reaction is calculated to be endoergic by 24 kcal/mol [expt. ΔH (0 K) = 16--19 kcal/mol] with a barrier of 31 kcal/mol in the forward direction and 6 kcal/mol in the reverse direction. For the hydrogen addition reactions, addition to the carbon atom is calculated to be exoergic by 19 kcal/mol with a barrier of 11 kcal/mol, while addition to the nitrogen center is essentially thermoneutral with a barrier of 17 kcal/mol. Calculations were also carried out on the isomerization reactions of the addition products. The cis→trans isomerization of HCNH has a barrier of only 10 kcal/mol with the trans isomer being more stable by 5 kcal/mol. The (1,2)-hydrogen migration reaction, converting H 2 CN to trans-HCNH, is endoergic by only 14 kcal/mol, but the calculated barrier for the transfer is 52 kcal/mol. The energy of the migration pathway thus lies above that of the dissociation--recombination pathway

  15. Study of fusion reactions forming Cf nuclei

    International Nuclear Information System (INIS)

    Khuyagbaatar, J.; Hinde, D. J.; Du Rietz, R.; Carter, I. P.; Dasgupta, M.; Duellmann, C. E.; Evers, M.; Wakhle, A.; Williams, E.; Yakushev, A.

    2013-01-01

    The formation of a compound nucleus in different projectile and target combinations is a powerful method for investigating the fusion process. Recently, the dominance of quasi-fission over fusion-fission has been inferred for 34 S+ 208 Pb in comparison to 36 S+ 206 Pb; both reactions lead to the compound nucleus 242 Cf*.The mass and angle distributions of the fission fragments from these reactions were studied in order to further investigate the presence of quasi-fission. (authors)

  16. Interference between direct and indirect modes in two-nucleon transfer reactions with heavy ions

    International Nuclear Information System (INIS)

    Scott, D.K.; Harvey, B.G.; Hendrie, D.L.; Jahnke, U.; Kraus, L.; Maguire, C.F.; Mahoney, J.; Terrien, Y.; Yagi, K.; Glendenning, N.K.

    1975-01-01

    Direct and indirect transitions to the lowest 2 + collective states are shown to interfere constructively in the pickup reaction 122 Sn( 16 O, 18 O) 120 Sn at 104 MeV, and destructively in the inverse stripping reaction 120 Sn( 18 O, 16 O) 122 Sn at 99 MeV

  17. The catalytic potency of ß-glucosidase from Pyroccus furiosus in the direct glucosylation reaction

    NARCIS (Netherlands)

    Roode, de B.M.; Meer, van der T.D.; Kaper, T.; Franssen, M.C.R.; Padt, van der A.; Oost, van der J.; Boom, R.M.

    2001-01-01

    Enzymes from extremophiles operate at conditions that are different from their `normal' counterparts, and are therefore a useful extension of the enzyme toolbox. In this paper, the direct glucosylation reaction mediated by a hyperthermophilic -glucosidase from Pyrocuccus furiosus was investigated.

  18. KAPSIES: A program for the calculation of multi-step direct reaction cross sections

    International Nuclear Information System (INIS)

    Koning, A.J.; Akkermans, J.M.

    1994-09-01

    We present a program for the calculation of continuum cross sections, sepctra, angular distributions and analyzing powers according to various quantum-mechanical theories for statistical multi-step direct nuclear reactions. (orig.)

  19. Electrified emotions: Modulatory effects of transcranial direct stimulation on negative emotional reactions to social exclusion.

    Science.gov (United States)

    Riva, Paolo; Romero Lauro, Leonor J; Vergallito, Alessandra; DeWall, C Nathan; Bushman, Brad J

    2015-01-01

    Social exclusion, ostracism, and rejection can be emotionally painful because they thwart the need to belong. Building on studies suggesting that the right ventrolateral prefrontal cortex (rVLPFC) is associated with regulation of negative emotions, the present experiment tests the hypothesis that decreasing the cortical excitability of the rVLPFC may increase negative emotional reactions to social exclusion. Specifically, we applied cathodal transcranial direct current stimulation (tDCS) over the rVLPFC and predicted an increment of negative emotional reactions to social exclusion. In Study 1, participants were either socially excluded or included, while cathodal tDCS or sham stimulation was applied over the rVLPFC. Cathodal stimulation of rVLPFC boosted the typical negative emotional reaction caused by social exclusion. No effects emerged from participants in the inclusion condition. To test the specificity of tDCS effects over rVLPFC, in Study 2, participants were socially excluded and received cathodal tDCS or sham stimulation over a control region (i.e., the right posterior parietal cortex). No effects of tDCS stimulation were found. Our results showed that the rVLPFC is specifically involved in emotion regulation and suggest that cathodal stimulation can increase negative emotional responses to social exclusion.

  20. Pd(II/HPMoV-Catalyzed Direct Oxidative Coupling Reaction of Benzenes with Olefins

    Directory of Open Access Journals (Sweden)

    Yasutaka Ishii

    2010-03-01

    Full Text Available The direct aerobic coupling reaction of arenes with olefins was successfully achieved by the use of Pd(OAc2/molybdovanadophosphoric acid (HPMoV as a key catalyst under 1 atm of dioxygen. This catalytic system could be extended to the coupling reaction of various substituted benzenes with olefins such as acrylates, aclrolein, and ethylene through the direct aromatic C-H bond activation.

  1. Alpha resonant scattering for astrophysical reaction studies

    Energy Technology Data Exchange (ETDEWEB)

    Yamaguchi, H.; Kahl, D.; Nakao, T. [Center for Nuclear Study (CNS), University of Tokyo, RIKEN campus, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Wakabayashi, Y.; Kubano, S. [The Institute of Physical and Chemical Research (RIKEN), 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Hashimoto, T. [Research Center for Nuclear Physics (RCNP), Osaka University, 10-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan); Hayakawa, S. [Istituto Nazionale Fisica Nucleare - Laboratori Nazionali del Sud (INFN-LNS), Via S. Sofia 62, 95125 Catania (Italy); Kawabata, T. [Department of Physics, Kyoto University, Kita-Shirakawa, Kyoto 606-8502 (Japan); Iwasa, N. [Department of Physics, Tohoku University, Aoba, Sendai, Miyagi 980-8578 (Japan); Teranishi, T. [Department of Physics, Kyushu University, 6-10-1 Hakozaki, Fukuoka 812-8581 (Japan); Kwon, Y. K. [Institute for Basic Science, 70, Yuseong-daero 1689-gil, Yuseong-gu, Daejeon 305-811 (Korea, Republic of); Binh, D. N. [30 MeV Cyclotron Center, Tran Hung Dao Hospital, Hoan Kiem District, Hanoi (Viet Nam); Khiem, L. H.; Duy, N. G. [Institute of Physics, Vietnam Academy of Science and Technology, 18 Hong Quoc Viet, Nghia do, Hanoi (Viet Nam)

    2014-05-02

    Several alpha-induced astrophysical reactions have been studied at CRIB (CNS Radioactive Ion Beam separator), which is a low-energy RI beam separator at Center for Nuclear Study (CNS) of the University of Tokyo. One of the methods to study them is the α resonant scattering using the thick-target method in inverse kinematics. Among the recent studies at CRIB, the measurement of {sup 7}Be+α resonant scattering is discussed. Based on the result of the experiment, we evaluated the contributions of high-lying resonances for the {sup 7}Be(α,γ) reaction, and proposed a new cluster band in {sup 11}C.

  2. Alpha resonant scattering for astrophysical reaction studies

    International Nuclear Information System (INIS)

    Yamaguchi, H.; Kahl, D.; Nakao, T.; Wakabayashi, Y.; Kubano, S.; Hashimoto, T.; Hayakawa, S.; Kawabata, T.; Iwasa, N.; Teranishi, T.; Kwon, Y. K.; Binh, D. N.; Khiem, L. H.; Duy, N. G.

    2014-01-01

    Several alpha-induced astrophysical reactions have been studied at CRIB (CNS Radioactive Ion Beam separator), which is a low-energy RI beam separator at Center for Nuclear Study (CNS) of the University of Tokyo. One of the methods to study them is the α resonant scattering using the thick-target method in inverse kinematics. Among the recent studies at CRIB, the measurement of 7 Be+α resonant scattering is discussed. Based on the result of the experiment, we evaluated the contributions of high-lying resonances for the 7 Be(α,γ) reaction, and proposed a new cluster band in 11 C

  3. MARS - a multidetector array for reaction studies

    International Nuclear Information System (INIS)

    Ball, G.C.; Davies, W.G.; Forster, J.S.

    1988-03-01

    The proposal for MARS, a Multidetector Array for Reaction Studies is presented. MARS consists of a large, high-vacuum vessel enclosing an array of 128 scintillation detectors for use in studies of heavy-ion collisions at TASCC. The instrument will be funded and owned jointly by AECL and NSERC

  4. Direct observation of forward-scattering oscillations in the H+HD→H2+D reaction

    Science.gov (United States)

    Yuan, Daofu; Yu, Shengrui; Chen, Wentao; Sang, Jiwei; Luo, Chang; Wang, Tao; Xu, Xin; Casavecchia, Piergiorgio; Wang, Xingan; Sun, Zhigang; Zhang, Dong H.; Yang, Xueming

    2018-06-01

    Accurate measurements of product state-resolved angular distributions are central to fundamental studies of chemical reaction dynamics. Yet, fine quantum-mechanical structures in product angular distributions of a reactive scattering process, such as the fast oscillations in the forward-scattering direction, have never been observed experimentally and the nature of these oscillations has not been fully explored. Here we report the crossed-molecular-beam experimental observation of these fast forward-scattering oscillations in the product angular distribution of the benchmark chemical reaction, H + HD → H2 + D. Clear oscillatory structures are observed for the H2(v' = 0, j' = 1, 3) product states at a collision energy of 1.35 eV, in excellent agreement with the quantum-mechanical dynamics calculations. Our analysis reveals that the oscillatory forward-scattering components are mainly contributed by the total angular momentum J around 28. The partial waves and impact parameters responsible for the forward scatterings are also determined from these observed oscillations, providing crucial dynamics information on the transient reaction process.

  5. Studies of heavy-ion reactions and transuranic nuclei

    International Nuclear Information System (INIS)

    Schroeder, W.U.; Huizenga, J.R.

    1991-08-01

    The development of the ''cold-fusion'' episode is reviewed. Ongoing studies of compound-nucleus formation and decay via the neutron multiplicity distribution confirm the validity of conventional statistical theory. The excitation energy partition in near-barrier damped 58 Ni + 208 Pb collisions is found to be largely independent of the direction of net mass transfer, supporting a diffusion-like nucleon-exchange mechanism. Exclusive experiments on the heavy reaction systems 197 Au + 208 Pb and 209 Bi + 136 Xe in the Fermi-energy domain have revealed important new insights into the reaction mechanism, which is found to be dominated by damped, binary processes. The effectiveness of the neutron multiplicity as an impact-parameter filter is demonstrated. It is shown that very-heavy-ion reactions lead to transient nuclear systems with temperatures in excess of τ = 6 MeV and transfer of large, aligned spins to reaction fragments. The first measurements of neutrons in coincidence with kinematically identified reaction fragments provide evidence for the binary, sequential character of dissipative collisions in the Fermi-energy domain. Also for the first time, a full event characterization was achieved for nuclear reactions in terms of neutrons and charged particles. Technical information on this experiment is provided. First results yield strong evidence for dominantly binary primary reaction dynamics of even highly dissipative 209 Bi + (28MeV/u) 136 Xe collisions, associated with several intermediate-mass fragments

  6. Redox reaction studies by nanosecond pulse radiolysis

    International Nuclear Information System (INIS)

    Moorthy, P.N.

    1979-01-01

    Free radicals are formed as intermediates in many chemical and biochemical reactions. An important type of reaction which they can undergo is a one electron or redox process. The direction and rate of such electron transfer reactions is governed by the relative redox potentials of the participating species. Because of the generally short lived nature of free radicals, evaluation of their redox potentials poses a number of problems. Two techniques are described for the experimental determination of the redox potentials of short lived species generated by either a nanosecond electron pulse or laser flash. In the first method, redox titration of the short lived species with stable molecules of known redox potential is carried out, employing the technique of fast kinetic spectrophotometry. Conversely, by the same method it is also possible to evaluate the one electron redox potentials of stable molecules by redox titration with free radicals of known redox potential produced as above. In the second method, electrochemical reduction or oxidation of the short lived species at an appropriate electrode (generally a mercury drop) is carried out at different fixed potentials, and the redox potential evaluated from the current-potential curves (polarograms). Full description of the experimental set up and theoretical considerations for interpretation of the raw data are given. The relative merits of the two methods and their practical applicability are discussed. (auth.)

  7. Metode Direct Polymerase Chain Reaction untuk Melacak Campylobacter sp. pada Daging Ayam (DIRECT POLYMERASE CHAIN REACTION METHOD FOR DETECTION CAMPYLOBACTER SP. OF POULTRY MEAT

    Directory of Open Access Journals (Sweden)

    Andriani .

    2013-08-01

    Full Text Available Campylobacter sp. is the most commonly reported as agent of foodborne zoonosis causing acutegastroenteritis in humans. Poultry meat is considered as a major source of C. jejuni infection in human.The conventional methods for detecting foodborne bacteria is time-consuming which rely on the of thebacteria in culture media, followed by biochemical identification. In this study polymerase chain reaction(PCR technique was used for rapid identification of the pathogenic Campylobacter sp. The samples usedwere 298 chicken carcass with sold in supermarkets and traditional markets, and were carried out inaccordance the isolation protocol ISO/ DIS 10272-1994. Identification was performed using biochemicalAPI Campy. The direct PCR (DPCR assay with two sets of primers was employed for isolation andidentification of C. jejuni and C. coli. The result of the isolation and identification both by conventional orPCR methods showed that chicken carcasses both from supermarket and traditional market werecontaminated with C. jejuni and or C. coli. Prevalence of Campylobacter sp. contamination in chicken meatwas higher by DPCR (62.6% than by conventional (19.8%, indicating that DPCR technique was moresensitive than conventional method with detection limit for C. jejuni was103 cfu/ml.

  8. Picosecond pulse radiolysis study of primary reactions in solutions

    International Nuclear Information System (INIS)

    El-Omar, Abdel Karim

    2013-01-01

    Following the discovery of ionizing radiations and their chemical effects, it was important to study and comprehend the formation mechanisms of short lived free radicals and molecular products. In order to perform such studies, researchers and research groups worked on developing tools allowing both formation and detection of those species at short time scales. Nowadays, pulse radiolysis imposed itself as a fundamental and efficient tool allowing scientists to probe chemical effects as well as reaction mechanisms in studied media. The Laboratoire de Chimie Physique d'Orsay 'LCP' is an interdisciplinary laboratory hosting the platform of fast kinetics known as 'ELYSE'. Due to its femtosecond laser and its picosecond electron accelerator, we have the possibility to study chemical effects of ionizing radiations interaction with media at ultrashort times up to ∼5 ps.Knowing that we are interested in primary reactions induced in aqueous media by ionizing radiations, ELYSE represents the essential tool in performing our studies. The obtained results concern:- First direct determination of hydroxyl radical 'HO*' radiolytic yield as function of time at picosecond time scale;- Direct effect of ionizing radiation in highly concentrated aqueous solutions as well as investigation of the ultrafast electron transfer reaction between solute molecules and positive holes 'H 2 O*+' formed upon water radiolysis;- Study at room temperature of electron transfer reaction between solvated electron (electron donor) and organic solutes (electron acceptors) en viscous medium;- Study at room temperature of electron's solvation dynamics in ethylene glycol and 2-propanol. (author)

  9. On the theory of direct reactions with many particle final states

    International Nuclear Information System (INIS)

    Trautmann, D.; Baur, G.

    1977-01-01

    We study the theory of direct reactions with many particle final states. First, we concentrate on the DWBA formulation of the break-up of deuterons on heavy nuclei below the Coulomb barrier. Because there are no free parameters, this permits a clean test of the theory by comparing it to the experimental data. The agreement is very good. The theory is applied to the break-up of antideuteronic atoms. Then the effect of virtual deuteron break-up on Rutherford scattering is studied. It is small, but it seems to be measurable. Also the deuteron break-up above the Coulomb barrier can be well explained theoretically. In this context, small effects are studied briefly. A semiclassical theory of the break-up process is given, which results in an intuitive picture and a fast computational method. Our theory lends itself in a natural way to the study of stripping reactions to unbound states. The relation of stripping into the continuum to elastic scattering of the transferred particle on the same target nucleus is explained. Then the connection of stripping to bound and unbound states is established. Finally various examples of stripping of uncharged and charged particles into the continuum are given to illustrate the theory. Resonance wave functions describing the transferred particle are discussed. In a conclusion an outlook for possible future developments of experiment and theory is given. (author)

  10. Studies of direct electroinsulating enamels

    International Nuclear Information System (INIS)

    Siwulski, S.; Gruszka, B.; Nocun, M.

    1998-01-01

    The results of studies on the influence of chemical composition of direct electroinsulating enamel on its properties were presented. The influence of alkaline Li 2 O, Na 2 O, K 2 O and adhesion promoting oxides CoO, NiO, CuO, MoO 3 on the frits properties were estimated. The characteristic temperature T g and T m as well as flowability were measured. The dielectric properties of frits and prepared enamels were also measured. Enamel substrates were prepared and tested for application in thick hybrid circuit technology. (author)

  11. Monitoring transcranial direct current stimulation induced changes in cortical excitability during the serial reaction time task.

    Science.gov (United States)

    Ambrus, Géza Gergely; Chaieb, Leila; Stilling, Roman; Rothkegel, Holger; Antal, Andrea; Paulus, Walter

    2016-03-11

    The measurement of the motor evoked potential (MEP) amplitudes using single pulse transcranial magnetic stimulation (TMS) is a common method to observe changes in motor cortical excitability. The level of cortical excitability has been shown to change during motor learning. Conversely, motor learning can be improved by using anodal transcranial direct current stimulation (tDCS). In the present study, we aimed to monitor cortical excitability changes during an implicit motor learning paradigm, a version of the serial reaction time task (SRTT). Responses from the first dorsal interosseous (FDI) and forearm flexor (FLEX) muscles were recorded before, during and after the performance of the SRTT. Online measurements were combined with anodal, cathodal or sham tDCS for the duration of the SRTT. Negative correlations between the amplitude of online FDI MEPs and SRTT reaction times (RTs) were observed across the learning blocks in the cathodal condition (higher average MEP amplitudes associated with lower RTs) but no significant differences in the anodal and sham conditions. tDCS did not have an impact on SRTT performance, as would be predicted based on previous studies. The offline before-after SRTT MEP amplitudes showed an increase after anodal and a tendency to decrease after cathodal stimulation, but these changes were not significant. The combination of different interventions during tDCS might result in reduced efficacy of the stimulation that in future studies need further attention. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  12. From waste to value - direct utilization of limonene from orange peel in a biocatalytic cascade reaction towards chiral carvolactone

    NARCIS (Netherlands)

    Oberleitner, N.; Ressmann, A. K.; Bica, K.; Gaertner, P.; Fraaije, M. W.; Bornscheuer, U. T.; Rudroff, F.; Mihovilovic, M. D.

    2017-01-01

    In this proof of concept study we demonstrate direct utilization of limonene containing waste product orange peel as starting material for a biocatalytic cascade reaction. The product of this cascade is chiral carvolactone, a promising building block for thermoplastic polymers. Four different

  13. The Trojan Horse method for nuclear astrophysics: Recent results for direct reactions

    International Nuclear Information System (INIS)

    Tumino, A.; Gulino, M.; Spitaleri, C.; Cherubini, S.; Romano, S.; Cognata, M. La; Pizzone, R. G.; Rapisarda, G. G.; Lamia, L.

    2014-01-01

    The Trojan Horse method is a powerful indirect technique to determine the astrophysical factor for binary rearrangement processes A+x→b+B at astrophysical energies by measuring the cross section for the Trojan Horse (TH) reaction A+a→B+b+s in quasi free kinematics. The Trojan Horse Method has been successfully applied to many reactions of astrophysical interest, both direct and resonant. In this paper, we will focus on direct sub-processes. The theory of the THM for direct binary reactions will be shortly presented based on a few-body approach that takes into account the off-energy-shell effects and initial and final state interactions. Examples of recent results will be presented to demonstrate how THM works experimentally

  14. The Trojan Horse method for nuclear astrophysics: Recent results for direct reactions

    Energy Technology Data Exchange (ETDEWEB)

    Tumino, A.; Gulino, M. [Laboratori Nazionali del Sud, Istituto Nazionale di Fisica Nucleare, Catania, Italy and Università degli Studi di Enna Kore, Enna (Italy); Spitaleri, C.; Cherubini, S.; Romano, S. [Laboratori Nazionali del Sud, Istituto Nazionale di Fisica Nucleare, Catania, Italy and Dipartimento di Fisica e Astronomia, Università di Catania, Catania (Italy); Cognata, M. La; Pizzone, R. G.; Rapisarda, G. G. [Laboratori Nazionali del Sud, Istituto Nazionale di Fisica Nucleare, Catania (Italy); Lamia, L. [Dipartimento di Fisica e Astronomia, Università di Catania, Catania (Italy)

    2014-05-09

    The Trojan Horse method is a powerful indirect technique to determine the astrophysical factor for binary rearrangement processes A+x→b+B at astrophysical energies by measuring the cross section for the Trojan Horse (TH) reaction A+a→B+b+s in quasi free kinematics. The Trojan Horse Method has been successfully applied to many reactions of astrophysical interest, both direct and resonant. In this paper, we will focus on direct sub-processes. The theory of the THM for direct binary reactions will be shortly presented based on a few-body approach that takes into account the off-energy-shell effects and initial and final state interactions. Examples of recent results will be presented to demonstrate how THM works experimentally.

  15. Molecular beam studies of reaction dynamics

    International Nuclear Information System (INIS)

    Lee, Yuan T.

    1991-03-01

    The major thrust of this research project is to elucidate detailed dynamics of simple elementary reactions that are theoretically important and to unravel the mechanism of complex chemical reactions or photochemical processes that play important roles in many macroscopic processes. Molecular beams of reactants are used to study individual reactive encounters between molecules or to monitor photodissociation events in a collision-free environment. Most of the information is derived from measurement of the product fragment energy, angular, and state distributions. Recent activities are centered on the mechanisms of elementary chemical reactions involving oxygen atoms with unsaturated hydrocarbons, the dynamics of endothermic substitution reactions, the dependence of the chemical reactivity of electronically excited atoms on the alignment of excited orbitals, the primary photochemical processes of polyatomic molecules, intramolecular energy transfer of chemically activated and locally excited molecules, the energetics of free radicals that are important to combustion processes, the infrared-absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation through electric excitation

  16. Molecular beam studies of reaction dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Y.T. [Lawrence Berkeley Laboratory, CA (United States)

    1993-12-01

    The major thrust of this research project is to elucidate detailed dynamics of simple elementary reactions that are theoretically important and to unravel the mechanism of complex chemical reactions or photochemical processes that play important roles in many macroscopic processes. Molecular beams of reactants are used to study individual reactive encounters between molecules or to monitor photodissociation events in a collision-free environment. Most of the information is derived from measurement of the product fragment energy, angular, and state distributions. Recent activities are centered on the mechanisms of elementary chemical reactions involving oxygen atoms with unsaturated hydrocarbons, the dynamics of endothermic substitution reactions, the dependence of the chemical reactivity of electronically excited atoms on the alignment of excited orbitals, the primary photochemical processes of polyatomic molecules, intramolecular energy transfer of chemically activated and locally excited molecules, the energetics of free radicals that are important to combustion processes, the infrared-absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation through electric excitation.

  17. Action Video Games Improve Direction Discrimination of Parafoveal Translational Global Motion but Not Reaction Times.

    Science.gov (United States)

    Pavan, Andrea; Boyce, Matthew; Ghin, Filippo

    2016-10-01

    Playing action video games enhances visual motion perception. However, there is psychophysical evidence that action video games do not improve motion sensitivity for translational global moving patterns presented in fovea. This study investigates global motion perception in action video game players and compares their performance to that of non-action video game players and non-video game players. Stimuli were random dot kinematograms presented in the parafovea. Observers discriminated the motion direction of a target random dot kinematogram presented in one of the four visual quadrants. Action video game players showed lower motion coherence thresholds than the other groups. However, when the task was performed at threshold, we did not find differences between groups in terms of distributions of reaction times. These results suggest that action video games improve visual motion sensitivity in the near periphery of the visual field, rather than speed response. © The Author(s) 2016.

  18. Comparison of TiO2 photocatalysis, electrochemically assisted Fenton reaction and direct electrochemistry for simulation of phase I metabolism reactions of drugs.

    Science.gov (United States)

    Ruokolainen, Miina; Gul, Turan; Permentier, Hjalmar; Sikanen, Tiina; Kostiainen, Risto; Kotiaho, Tapio

    2016-02-15

    The feasibility of titanium dioxide (TiO2) photocatalysis, electrochemically assisted Fenton reaction (EC-Fenton) and direct electrochemical oxidation (EC) for simulation of phase I metabolism of drugs was studied by comparing the reaction products of buspirone, promazine, testosterone and 7-ethoxycoumarin with phase I metabolites of the same compounds produced in vitro by human liver microsomes (HLM). Reaction products were analysed by UHPLC-MS. TiO2 photocatalysis simulated the in vitro phase I metabolism in HLM more comprehensively than did EC-Fenton or EC. Even though TiO2 photocatalysis, EC-Fenton and EC do not allow comprehensive prediction of phase I metabolism, all three methods produce several important metabolites without the need for demanding purification steps to remove the biological matrix. Importantly, TiO2 photocatalysis produces aliphatic and aromatic hydroxylation products where direct EC fails. Furthermore, TiO2 photocatalysis is an extremely rapid, simple and inexpensive way to generate oxidation products in a clean matrix and the reaction can be simply initiated and quenched by switching the UV lamp on/off. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. pH-dependent electron transfer reaction and direct bioelectrocatalysis of the quinohemoprotein pyranose dehydrogenase

    Energy Technology Data Exchange (ETDEWEB)

    Takeda, Kouta [Department of Biotechnology and Life Science, Tokyo University of Agriculture and Technology, Koganei, Tokyo 184-8588 (Japan); Matsumura, Hirotoshi; Ishida, Takuya [Department of Biomaterial Sciences, Graduate School of Agriculture and Life Sciences, The University of Tokyo, Bunkyo-ku, Tokyo 113-8657 (Japan); Yoshida, Makoto [Department of Environmental and Natural Resource Science, Tokyo University of Agriculture and Technology, Fuchu, Tokyo 183-8509 (Japan); Igarashi, Kiyohiko; Samejima, Masahiro [Department of Biomaterial Sciences, Graduate School of Agriculture and Life Sciences, The University of Tokyo, Bunkyo-ku, Tokyo 113-8657 (Japan); Ohno, Hiroyuki [Department of Biotechnology and Life Science, Tokyo University of Agriculture and Technology, Koganei, Tokyo 184-8588 (Japan); Nakamura, Nobuhumi, E-mail: nobu1@cc.tuat.ac.jp [Department of Biotechnology and Life Science, Tokyo University of Agriculture and Technology, Koganei, Tokyo 184-8588 (Japan)

    2016-08-26

    A pyranose dehydrogenase from Coprinopsis cinerea (CcPDH) is an extracellular quinohemoeprotein, which consists a b-type cytochrome domain, a pyrroloquinoline-quinone (PQQ) domain, and a family 1-type carbohydrate-binding module. The electron transfer reaction of CcPDH was studied using some electron acceptors and a carbon electrode at various pH levels. Phenazine methosulfate (PMS) reacted directly at the PQQ domain, whereas cytochrome c (cyt c) reacted via the cytochrome domain of intact CcPDH. Thus, electrons are transferred from reduced PQQ in the catalytic domain of CcPDH to heme b in the N-terminal cytochrome domain, which acts as a built-in mediator and transfers electron to a heterogenous electron transfer protein. The optimal pH values of the PMS reduction (pH 6.5) and the cyt c reduction (pH 8.5) differ. The catalytic currents for the oxidation of L-fucose were observed within a range of pH 4.5 to 11. Bioelectrocatalysis of CcPDH based on direct electron transfer demonstrated that the pH profile of the biocatalytic current was similar to the reduction activity of cyt c characters. - Highlights: • pH dependencies of activity were different for the reduction of cyt c and DCPIP. • DET-based bioelectrocatalysis of CcPDH was observed. • The similar pH-dependent profile was found with cyt c and electrode. • The present results suggested that IET reaction of CcPDH shows pH dependence.

  20. Expanding the enzyme universe: accessing non-natural reactions by mechanism-guided directed evolution.

    Science.gov (United States)

    Renata, Hans; Wang, Z Jane; Arnold, Frances H

    2015-03-09

    High selectivity and exquisite control over the outcome of reactions entice chemists to use biocatalysts in organic synthesis. However, many useful reactions are not accessible because they are not in nature's known repertoire. In this Review, we outline an evolutionary approach to engineering enzymes to catalyze reactions not found in nature. We begin with examples of how nature has discovered new catalytic functions and how such evolutionary progression has been recapitulated in the laboratory starting from extant enzymes. We then examine non-native enzyme activities that have been exploited for chemical synthesis, with an emphasis on reactions that do not have natural counterparts. Non-natural activities can be improved by directed evolution, thus mimicking the process used by nature to create new catalysts. Finally, we describe the discovery of non-native catalytic functions that may provide future opportunities for the expansion of the enzyme universe. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Purification of crude glycerol from transesterification reaction of palm oil using direct method and multistep method

    Science.gov (United States)

    Nasir, N. F.; Mirus, M. F.; Ismail, M.

    2017-09-01

    Crude glycerol which produced from transesterification reaction has limited usage if it does not undergo purification process. It also contains excess methanol, catalyst and soap. Conventionally, purification method of the crude glycerol involves high cost and complex processes. This study aimed to determine the effects of using different purification methods which are direct method (comprises of ion exchange and methanol removal steps) and multistep method (comprises of neutralization, filtration, ion exchange and methanol removal steps). Two crude glycerol samples were investigated; the self-produced sample through the transesterification process of palm oil and the sample obtained from biodiesel plant. Samples were analysed using Fourier Transform Infrared Spectroscopy, Gas Chromatography and High Performance Liquid Chromatography. The results of this study for both samples after purification have showed that the pure glycerol was successfully produced and fatty acid salts were eliminated. Also, the results indicated the absence of methanol in both samples after purification process. In short, the combination of 4 purification steps has contributed to a higher quality of glycerol. Multistep purification method gave a better result compared to the direct method as neutralization and filtration steps helped in removing most excess salt, fatty acid and catalyst.

  2. Expanding the Enzyme Universe: Accessing Non-Natural Reactions by Mechanism-Guided Directed Evolution

    Science.gov (United States)

    Renata, Hans; Wang, Z. Jane

    2015-01-01

    High selectivities and exquisite control over reaction outcomes entice chemists to use biocatalysts in organic synthesis. However, many useful reactions are not accessible because they are not in nature’s known repertoire. We will use this review to outline an evolutionary approach to engineering enzymes to catalyze reactions not found in nature. We begin with examples of how nature has discovered new catalytic functions and how such evolutionary progressions have been recapitulated in the laboratory starting from extant enzymes. We then examine non-native enzyme activities that have been discovered and exploited for chemical synthesis, emphasizing reactions that do not have natural counterparts. The new functions have mechanistic parallels to the native reaction mechanisms that often manifest as catalytic promiscuity and the ability to convert from one function to the other with minimal mutation. We present examples of how non-natural activities have been improved by directed evolution, mimicking the process used by nature to create new catalysts. Examples of new enzyme functions include epoxide opening reactions with non-natural nucleophiles catalyzed by a laboratory-evolved halohydrin dehalogenase, cyclopropanation and other carbene transfer reactions catalyzed by cytochrome P450 variants, and non-natural modes of cyclization by a modified terpene synthase. Lastly, we describe discoveries of non-native catalytic functions that may provide future opportunities for expanding the enzyme universe. PMID:25649694

  3. F/Cl + C2H2 reactions: Are the addition and hydrogen abstraction direct processes?

    International Nuclear Information System (INIS)

    Li Jilai; Geng Caiyun; Huang Xuri; Zhan Jinhui; Sun Chiachung

    2006-01-01

    The reactions of atomic radical F and Cl with acetylene have been studied theoretically using ab initio quantum chemistry methods and transition state theory. The doublet potential energy surfaces were calculated at the CCSD(T)/aug-cc-pVDZ//CCSD/6-31G(d,p), CCSD(T)/aug-cc-pVDZ//UMP2/6-311++G(d,p) and compound method Gaussian-3 levels. Two reaction mechanisms including the addition-elimination and the hydrogen abstraction reaction mechanisms are considered. In the addition-elimination reactions, the halogen atoms approach C 2 H 2 , perpendicular to the C≡C triple bond, forming the pre-reactive complex C1 at the reaction entrance. C1 transforms to intermediate isomer I1 via transition state TSC1/1 with a negative/small barrier for C 2 H 2 F/C 2 H 2 Cl system, which can proceed by further eliminating H atom endothermally. While the hydrogen abstraction reactions also involve C1 for the fluorine atom abstraction of hydrogen, yet the hydrogen abstraction by chlorine atom first forms a collinear hydrogen-bonded complex C2. The other reaction pathways on the doublet PES are less competitive due to thermodynamical or kinetic factors. According to our results, the presence of pre-reactive complexes indicates that the simple hydrogen abstraction and addition in the halogen atoms reaction with unsaturated hydrocarbon should be more complex. Furthermore, based on the analysis of the kinetics of all channels through which the addition and abstraction reactions proceed, we expect that the actual feasibility of the reaction channels may depend on the reaction conditions in the experiment. The present study may be helpful for probing the mechanisms of the title reactions and understanding the halogen chemistry

  4. A sistematical study of spallation reaction

    International Nuclear Information System (INIS)

    Foshina, M.

    1982-01-01

    A four-parameter semi-empirical formulae is proposed to calculate photo-spallation cross sections. This formulae is deduced starting from a nuclear model considered as a particle mixture without differences among them and the spallation phenomenous is considered as sucessive nucleon emission ruled by determined probability law. The formulae parameters are obtained from photo-spallation yields experimentally determined and available in literature. A variation study of the values of different parameters with the mass number of the 'seed' nucleus and incident energy is made. A parallel study for the spallation reactions induced by protons of a sampling of 720 data is also presented. (L.C.) [pt

  5. Directed Energy for Interstellar Study

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose to expand our investigations started in our NIAC Phase I of using directed energy to allow the achievement of relativistic flight to pave the way to the...

  6. [Reaction mechanism studies of heavy ion induced nuclear reactions]: Annual progress report, October 1987

    International Nuclear Information System (INIS)

    Mignerey, A.C.

    1987-10-01

    The experiments which this group has been working on seek to define the reaction mechanisms responsible for complex fragment emission in heavy ion reactions. The reactions studied are La + La, La + Al, and La + Cu at 46.8 MeV/u; and Ne + Ag and Ne + Au reactions at 250 MeV/u. Another experimental program at the Oak Ridge Hollifield Heavy Ion Research Facility (HHIRF) is designed to measure the excitation energy division between reaction products in asymmetric deep inelastic reactions. A brief description is given of progress to date, the scientific goals of this experiment and the plastic phoswich detectors developed for this experiment

  7. Photochemical Reactions of Particulate Organic Matter: Deciphering the Role of Direct and Indirect Processes

    Science.gov (United States)

    Carrasquillo, A. J.; Gelfond, C. E.; Kocar, B. D.

    2016-12-01

    Photochemical reactions of natural organic matter (NOM) represent potentially important pathways for biologically recalcitrant material to be chemically altered in aquatic systems. Irradiation can alter the physical state of organic matter by facilitating the cycling between the particulate (POM) and dissolved (DOM) pools, however, a molecular level understanding of this chemically dynamic system is currently lacking. Photochemical reactions of a target molecule proceed by the direct absorption of a photon, or through reaction with a second photolytically generated species (i.e. the hydroxyl radical, singlet oxygen, excited triplet state NOM, hydrogen peroxide, etc.). Here, we isolate the major direct and indirect photochemical reactions of a lignocellulose-rich POM material (Phragmites australis) to determine their relative importance in changing the the chemical structure of the parent POM, and in the production of DOM. We measured POM molecular structure using a combination of NMR and FTIR for bulk analyses and scanning transmission x-ray microscopy (STXM) for spatially resolved chemistry, while the chemical composition of photo-produced DOM was measured using ultra-high resolution mass spectrometry. Results are discussed in the context of the differences in chemical composition of both NOM pools resulting from the isolated photochemical pathways. All treatments result in an increase in DOM with reaction time, indicating that the larger POM matrix is likely fragmenting into smaller more soluble species. Spectroscopic measurements, on the other hand, point to functionalization reactions which increase the abundance of alcohol, acid, and carbonyl moieties in both carbon pools. This unique dataset provides new insight into how photochemical reactions alter the chemical composition of NOM while highlighting the relative importance of indirect pathways.

  8. PTOLEMY, a program for heavy-ion direction-reaction calculations

    International Nuclear Information System (INIS)

    Gloeckner, D.H.; Macfarlane, M.H.; Pieper, S.C.

    1976-03-01

    Ptolemy is an IBM/360 program for the computation of nuclear elastic and direct-reaction cross sections. It carries out both optical-model fits to elastic-scattering data at one or more energies, and DWBA calculations for nucleon-transfer reactions. Ptolemy has been specifically designed for heavy-ion calculations. It is fast and does not require large amounts of core. The input is exceptionally flexible and easy to use. This report outlines the types of calculation that Ptolemy can carry out, summarizes the formulas used, and gives a detailed description of its input

  9. Ptolemy: a program for heavy-ion direct-reaction calculations

    International Nuclear Information System (INIS)

    Macfarlane, M.H.; Pieper, S.C.

    1978-04-01

    Ptolemy is an IBM/360 program for the computation of nuclear elastic and direct-reaction cross sections. It carries out optical-model fits to elastic-scattering data at one or more energies and for one or more combinations of projectile and target, collective model DWBA calculations of excitation processes, and finite-range DWBA calculations of nucleon-transfer reactions. It is fast and does not require large amounts of core. The input is exceptionally flexible and easy to use. The types of calculations that Ptolemy can carry out are outlined, the formulas used are summarized, and a detailed description of its input is given

  10. Use of Isotopes for Studying Reaction Mechanisms

    Indian Academy of Sciences (India)

    of atoms during a chemical transformation. This strategy of determining reaction mechanisms is illustrated in the article with several examples. Introduction. When a reaction is carried out, the primary effort goes towards the identification of the product(s) of the reaction. A more time consuming endeavour, however, is the ...

  11. Study of fragmentation reactions of light nucleus

    International Nuclear Information System (INIS)

    Toneli, David Arruda; Carlson, Brett Vern

    2011-01-01

    Full text: The decay of the compound nucleus is traditionally calculated using a sequential emission model, such as the Weisskopf-Ewing or Hauser-Feshbach ones, in which the compound nucleus decays through a series of residual nuclei by emitting one particle at a time until there is no longer sufficient energy for further emission. In light compound nucleus, however, the excitation energy necessary to fully disintegrate the system is relatively easy to attain. In such cases, decay by simultaneous emission of two or more particles becomes important. A model which takes into account all these decay is the Fermi fragmentation model. Recently, the equivalence between the Fermi fragmentation model and statistical multifragmentation model used to describe the decay for highly excited fragments for reactions of heavy ions was demonstrated. Due the simplicity of the thermodynamic treatment used in the multifragmentation model, we have adapted it to the calculation of Fermi breakup of light nuclei. The ultimate goal of this study is to calculate the distribution of isotopes produced in proton-induced reactions on light nuclei of biological interest, such as C, O e Ca. Although most of these residual nuclei possess extremely short half-lives and thus represent little long-term danger, they tend to be deficient in neutrons and to decay by positron emission, which allows the monitoring of proton radiotherapy by PET (Positron Emission Tomography). (author)

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

    Indian Academy of Sciences (India)

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

  13. Hybrid direct carbon fuel cells and their reaction mechanisms - a review

    DEFF Research Database (Denmark)

    Deleebeeck, Lisa; Kammer Hansen, Kent

    2014-01-01

    with carbon capture and storage (CCS) due to the high purity of CO2 emitted in the exhaust gas. Direct carbon (or coal) fuel cells (DCFCs) are directly fed with solid carbon to the anode chamber. The fuel cell converts the carbon at the anode and the oxygen at the cathode into electricity, heat and reaction......As coal is expected to continue to dominate power generation demands worldwide, it is advisable to pursue the development of more efficient coal power generation technologies. Fuel cells show a much higher fuel utilization efficiency, emit fewer pollutants (NOx, SOx), and are more easily combined...

  14. The direct oxidative diene cyclization and related reactions in natural product synthesis

    Directory of Open Access Journals (Sweden)

    Juliane Adrian

    2016-09-01

    Full Text Available The direct oxidative cyclization of 1,5-dienes is a valuable synthetic method for the (diastereoselective preparation of substituted tetrahydrofurans. Closely related reactions start from 5,6-dihydroxy or 5-hydroxyalkenes to generate similar products in a mechanistically analogous manner. After a brief overview on the history of this group of transformations and a survey on mechanistic and stereochemical aspects, this review article provides a summary on applications in natural product synthesis. Moreover, current limitations and future directions in this area of chemistry are discussed.

  15. A study on sodium-concrete reaction

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Jae Heum; Min, Byong Hun [Suwon University, Suwon (Korea, Republic of)

    1997-07-01

    A small sodium-concrete reaction facility was designed, manufactured and installed. this facility has been operated under inert gas(N{sub 2}) with different experimental variables such as sodium injection temperature, injection amount of sodium, aging period of concrete, sodium reservoir temperature. As a result, it was found that sodium injection temperature and injected amount of sodium has little effect on sodium-concrete reaction. However, sodium reservoir temperature and aging period of concrete has relatively high impact on sodium-concrete reaction. Sodium-concrete reaction model has also been developed and compared with experimental results. (Author) 51 refs., 16 tabs., 64 figs.

  16. Constraining the 19Ne(p,γ)20Na Reaction Rate Using a Direct Measurement at DRAGON

    Science.gov (United States)

    Wilkinson, R.; Lotay, G.; Lennarz, A.; Ruiz, C.; Christian, G.; Akers, C.; Catford, W. N.; Chen, A. A.; Connolly, D.; Davids, B.; Hutcheon, D. A.; Jedrejcic, D.; Laird, A. M.; Martin, L.; McNeice, E.; Riley, J.; Williams, M.

    2018-01-01

    A direct measurement of the 19Ne(p, γ)20 Na reaction has been performed in inverse kinematics at the DRAGON recoil separator, at an energy ˜ 10 keV higher than previous measurements. The key resonance in the 19 Ne + p system relevant for ONe novae and Type-I X-ray burst temperatures have been successfully measured for the first time. Preliminary estimates of the resonance energy and strength are reported as Ec.m. ≈ 458 keV and ωγ ≈ 18 meV. These results are consistent with previous direct measurements, but disagree with the most recent study of the 19Ne(p, γ)20 Na reaction rate. These preliminary results will be finalised after a forthcoming negative log-likelihood analysis.

  17. Inertial confinement fusion reaction chamber and power conversion system study

    International Nuclear Information System (INIS)

    Maya, I.; Schultz, K.R.; Battaglia, J.M.

    1984-09-01

    GA Technologies has developed a conceptual ICF reactor system based on the Cascade rotating-bed reaction chamber concept. Unique features of the system design include the use of low activation SiC in a reaction chamber constructed of box-shaped tiles held together in compression by prestressing tendons to the vacuum chamber. Circulating Li 2 O granules serve as the tritium breeding and energy transport material, cascading down the sides of the reaction chamber to the power conversion system. The total tritium inventory of the system is 6 kg; tritium recovery is accomplished directly from the granules via the vacuum system. A system for centrifugal throw transport of the hot Li 2 O granules from the reaction chamber to the power conversion system has been developed. A number of issues were evaluated during the course of this study. These include the response of first-layer granules to the intense microexplosion surface heat flux, cost effective fabrication of Li 2 O granules, tritium inventory and recovery issues, the thermodynamics of solids-flow options, vacuum versus helium-medium heat transfer, and the tradeoffs of capital cost versus efficiency for alternate heat exchange and power conversion system option. The resultant design options appear to be economically competitive, safe, and environmentally attractive

  18. 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.

  19. Pulse radiolysis study on oxidation reactions of gallic acid

    International Nuclear Information System (INIS)

    Dwibedy, P.; Dey, G.R.; Naik, D.B.; Kishore, Kamal

    1998-01-01

    Reactions of OH . /O - and other oxidising radicals viz. N 3 . , Br 2 .- , Cl 2 .- with gallic acid (GA) have been studied at various pHs. At pH 6.8, OH . radicals react with GA giving an adduct which in turn reacts with the parent GA to give a dimeric species. At pH 9.7, the initial OH adduct formed is able to oxidize GA to give a semi-oxidised species. At pH 12 and ∼ 13.6, OH . /O .- radicals directly bring about oxidation of GA. (author)

  20. Quantum chemical study of penicillin: Reactions after acylation

    Science.gov (United States)

    Li, Rui; Feng, Dacheng; Zhu, Feng

    The density functional theory methods were used on the model molecules of penicillin to determine the possible reactions after their acylation on ?-lactamase, and the results were compared with sulbactam we have studied. The results show that, the acylated-enzyme tetrahedral intermediate can evolves with opening of ?-lactam ring as well as the thiazole ring; the thiazole ring-open products may be formed via ?-lactam ring-open product or from tetrahedral intermediate directly. Those products, in imine or enamine form, can tautomerize via hydrogen migration. In virtue of the water-assisted, their energy barriers are obviously reduced.

  1. Study on curing reaction of 4-aminophenoxyphthalonitrile/bisphthalonitrile

    Institute of Scientific and Technical Information of China (English)

    Xiao

    2010-01-01

    A series of phthalonitrile blending resins were prepared from 4-aminophenoxyphthalonitrile (APN) and 4,4'-bis (3,4-dicyanophenoxy)biphenyl (BPH) by directly powder-mixing and copolymerization. Differential scanning calorimeter (DSC) and dynamic rheology were used to study the curing reaction behaviors of APN/BPH blends, and the results indicated that the introduction of APN accelerated the curing rate of BPH, and the existence of BPH decreased the curing temperature of APN/BPH systems. The thermal stability of postcured APN/BPH resins was investigated by thermogravimetric analysis (TGA), and the TGA results indicated that the crosslinked polymers of APN/BPH systems possessed good thermal stability.

  2. Studies on direct and indirect electrochemical immunoassays

    OpenAIRE

    Buckley, Eileen

    1989-01-01

    Two approaches to electrochemical immunoassay are reported. The first approach was an indirect method, involving an electroactive, enzyme-catalysed, substrate to product reaction. Conditions were optimised for the amperometric detection of para-aminophenol, the electroactive product of the alkaline phosphatase catalysed hydrolysis of a new substrate, p-aminophenylphosphate, after separation by HPLC. The second approach involved the direct electrochemical detection of an immunoglo...

  3. Modelling and simulation of a direct ethanol fuel cell considering multistep electrochemical reactions, transport processes and mixed potentials

    International Nuclear Information System (INIS)

    Meyer, Marco; Melke, Julia; Gerteisen, Dietmar

    2011-01-01

    Highlights: → A DEFC model considering the mixed potential formation at cathode and anode. → The low cell voltage at open circuit is due to the parasitic reaction of ethanol and oxygen. → Under load, only the parasitic oxidation of ethanol is significant. → Inhibiting the parasitic reactions can approximately double the current density. - Abstract: In this work a one-dimensional mathematical model of a direct ethanol fuel cell (DEFC) is presented. The electrochemical oxidation of ethanol in the catalyst layers is described by several reaction steps leading to surface coverage with adsorbed intermediates (CH 3 CO, CO, CH 3 and OH) and to the final products acetaldehyde, acetic acid and CO 2 . A bifunctional reaction mechanism is assumed for the activation of water on a binary catalyst favouring the further oxidation of adsorbates blocking active catalyst sites. The chemical reactions are highly coupled with the charge and reactant transport. The model accounts for crossover of the reactants through the membrane leading to the phenomenon of cathode and anode mixed potentials due to the parasitic oxidation and reduction of ethanol and oxygen, respectively. Polarisation curves of a DEFC were recorded for various ethanol feed concentrations and were used as reference data for the simulation. Based on one set of model parameters the characteristic of electronic and protonic potential, the relative surface coverage and the parasitic current densities in the catalyst layers were studied.

  4. Direct reactions induced by 16O on 208Pb at high incident energy

    International Nuclear Information System (INIS)

    Mermaz, M.C.

    1978-01-01

    Direct reactions induced by 16 O mainly on 208 Pb at 20 MeV/nucleon are reviewed. The quasi-elastic transfer reaction, such as one-proton and one-neutron transfer respectively leading to 209 Bi and 209 Pb single-particle-states, is first discussed, the fragmentation of 16 O projectile on heavy targets is then envisaged. The one-nucleon transfer can be described within the framework of one-step processes using the DWBA formalism to calculate the cross sections. At high incident energy (312.6 MeV), transfer reactions involving nucleons from the deeper 1p 3/2 orbit of 16 O are kinematically favoured and well observed. At 20 MeV/A and above, a large part of the reaction cross sections seems to be due to the fragmentation of the projectile; more especially, an abrasion-ablation model have to be used in order to explain the general trend of the data (energy spectra and angular distribution)

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

    Science.gov (United States)

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

    2015-05-01

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

  6. Coulomb dissociation studies for astrophysical thermonuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Motobayashi, T [Dept. of Physics, Rikkyo Univ., Toshima, Tokyo (Japan)

    1998-06-01

    The Coulomb dissociation method was applied to several radiative capture processes of astrophysical interest. The method has an advantage of high experimental efficiency, which allow measurements with radioactive nuclear beams. The reactions {sup 13}N(p,{gamma}){sup 14}O and {sup 7}Be(p,{gamma}){sup 8}B are mainly discussed. They are the key reaction in the hot CNO cycle in massive stars and the one closely related to the solar neutrino problem, respectively. (orig.)

  7. Direct reactions and nuclear spectroscopy; forward into the 21st century

    International Nuclear Information System (INIS)

    Keeley, N.

    2006-01-01

    The use of direct reactions of the (d,p) (3He,d) etc. type in nuclear spectroscopy has a long history. The availability of beams of exotic nuclei has seen a resurgence of interest in the technique as a means of probing the structure of nuclei close to, or even beyond, the driplines. Analysis of these reactions to extract spectroscopic information has usually been performed with standard DWBA. However, while the DWBA is still useful, as it is based on first-order perturbation theory it should only be used where couplings are weak and proceed predominantly in a single step. Examples where either or both of these conditions are violated, with important consequences for the spectroscopic information extracted, are presented. Some of the sources of uncertainty that remain in the derived quantities are also discussed, along with possible means of reducing them

  8. Direct Dynamics Simulation of the Thermal 3CH2 + 3O2 Reaction. Rate Constant and Product Branching Ratios.

    Science.gov (United States)

    Lakshmanan, Sandhiya; Pratihar, Subha; Machado, Francisco Bolivar Correto; Hase, William Louis

    2018-04-26

    The reaction of 3CH2 with 3O2 is of fundamental importance in combustion and the reaction is complex as a result of multiple extremely exothermic product channels. In the present study, direct dynamics simulations were performed to study the reaction on both the singlet and triplet potential energy surfaces (PESs). The simulations were performed at the UM06/6-311++G(d,p) level of theory. Trajectories were calculated at a temperature of 300 K and all reactive trajectories proceeded through the carbonyl oxide Criegee intermediate, CH2OO, on both the singlet and triplet PESs. The triplet surface leads to only one product channel, H2CO + O(3P), while the singlet surface leads to 8 product channels with their relative importance as: CO + H2O > CO + OH + H ~ H2CO + O(1D) > HCO + OH ~ CO2 + H2 ~ CO + H2 + O(1D) > CO2 + H + H > HCO + O(1D) + H. Reaction on the singlet PES is barrierless, consistent with experiment and the total rate constant on the singlet surface is 0.93 ± 0.22 x 10-12 cm3molecule-1s-1 in comparison to the recommended experimental rate constant of 3.3 x 10-12 cm3molecule-1s-1. The simulation product yields for the singlet PES are compared with experiment and the most significant differences are for H, CO2, and H2O. Reaction on the triplet surface is also barrierless, inconsistent with experiment. A discussion is given of the need for future calculations to address the: (1) barrier on the triplet PES for 3CH2 + 3O2 → 3CH2OO; (2) temperature dependence of the 3CH2 + 3O2 reaction rate constant and product branching ratios; and (3) possible non-RRKM dynamics of the 1CH2OO Criegee intermediate.

  9. [Direct costs and clinical aspects of adverse drug reactions in patients admitted to a level 3 hospital internal medicine ward].

    Science.gov (United States)

    Tribiño, Gabriel; Maldonado, Carlos; Segura, Omar; Díaz, Jorge

    2006-03-01

    Adverse drug reactions (ADRs) occur frequently in hospitals and increase costs of health care; however, few studies have quantified the clinical and economic impact of ADRs in Colombia. These impacts were evaluated by calculating costs associated with ADRs in patients hospitalized in the internal medicine ward of a Level 3 hospital located in Bogotá, Colombia. In addition, salient clinical features of ADRs were identified and characterized. Intensive follow-ups for a cohort of patients were conducted for a five month period in order to detect ADRs; different ways to classify them, according to literature, were considered as well. Information was collected using the INVIMA reporting format, and causal probability was evaluated with the Naranjo algorithm. Direct costs were calculated from the perspective of payer, based on the following costs: additional hospital stay, medications, paraclinical tests, additional procedures, patient displacement to intermediate or intensive care units, and other costs. Of 836 patients admitted to the service, 268 adverse drug reactions were detected in 208 patients (incidence proportion 25.1%, occurence rate 0.32). About the ADRs found, 74.3% were classified as probable, 92.5% were type A, and 81.3% were moderate. The body system most often affected was the circulatory system (33.9%). Drugs acting on the blood were most frequently those ones associated with adverse reactions (37.6%). The costs resulting from medical care of adverse drug reactions varied from COL dollar 93,633,422 (USD dollar 35,014.92) to COL dollar 122,155,406 (USD dollar 45,680.94), according to insurance type, during the study period. Adverse drug reactions have a significant negative health and financial impact on patient welfare. Because of the substantial resources required for their medical care and the significant proportion of preventable adverse reactions, active programs of institutional pharmacovigilance are highly recommended.

  10. Direct Light-up of cAMP Derivatives in Living Cells by Click Reactions

    Directory of Open Access Journals (Sweden)

    Yan Xu

    2013-10-01

    Full Text Available 8-Azidoadenosine 3′,5′-cyclic monophosphate (8-azido cAMP was directly detected in living cells, by applying Cu-free azide-alkyne cycloaddition to probe cAMP derivatives by fluorescence light-up. Fluorescence emission was generated by two non-fluorescent molecules, 8-azido cAMP as a model target and difluorinated cyclooctyne (DIFO reagent as a probe. The azide-alkyne cycloaddition reaction between 8-azido cAMP and DIFO induces fluorescence in 8-azido cAMP. The fluorescence emission serves as a way to probe 8-azido cAMP in cells.

  11. Magnesium stearine production via direct reaction of palm stearine and magnesium hydroxide

    Science.gov (United States)

    Pratiwi, M.; Ylitervo, P.; Pettersson, A.; Prakoso, T.; Soerawidjaja, T. H.

    2017-06-01

    The fossil oil production could not compensate with the increase of its consumption, because of this reason the renewable alternative energy source is needed to meet this requirement of this fuel. One of the methods to produce hydrocarbon is by decarboxylation of fatty acids. Vegetable oil and fats are the greatest source of fatty acids, so these can be used as raw material for biohydrocarbon production. From other researchers on their past researchs, by heating base soap from divalent metal, those metal salts will decarboxylate and produce hydrocarbon. This study investigate the process and characterization of magnesium soaps from palm stearine by Blachford method. The metal soaps are synthesized by direct reaction of palm stearine and magnesium hydroxide to produce magnesium stearine and magnesium stearine base soaps at 140-180°C and 6-10 bar for 3-6 hours. The operation process which succeed to gain metal soaps is 180°C, 10 bar, for 3-6 hours. These metal soaps are then compared with commercial magnesium stearate. Based on Thermogravimetry Analysis (TGA) results, the decomposition temperature of all the metal soaps were 250°C. Scanning Electron Microscope with Energy Dispersive X-ray (SEM-EDX) analysis have shown the traces of sodium sulphate for magnesium stearate commercial and magnesium hydroxide for both type of magnesium stearine soaps. The analysis results from Microwave Plasma-Atomic Emission Spectrometry (MP-AES) have shown that the magnesium content of magnesium stearine approximate with magnesium stearate commercial and lower compare with magnesium stearine base soaps. These experiments suggest that the presented saponification process method could produced metal soaps comparable with the commercial metal soaps.

  12. Directing reaction pathways by catalyst active-site selection using self-assembled monolayers.

    Science.gov (United States)

    Pang, Simon H; Schoenbaum, Carolyn A; Schwartz, Daniel K; Medlin, J Will

    2013-01-01

    One key route for controlling reaction selectivity in heterogeneous catalysis is to prepare catalysts that exhibit only specific types of sites required for desired product formation. Here we show that alkanethiolate self-assembled monolayers with varying surface densities can be used to tune selectivity to desired hydrogenation and hydrodeoxygenation products during the reaction of furfural on supported palladium catalysts. Vibrational spectroscopic studies demonstrate that the selectivity improvement is achieved by controlling the availability of specific sites for the hydrogenation of furfural on supported palladium catalysts through the selection of an appropriate alkanethiolate. Increasing self-assembled monolayer density by controlling the steric bulk of the organic tail ligand restricts adsorption on terrace sites and dramatically increases selectivity to desired products furfuryl alcohol and methylfuran. This technique of active-site selection simultaneously serves both to enhance selectivity and provide insight into the reaction mechanism.

  13. Raman spectroscopic study of reaction dynamics

    Science.gov (United States)

    MacPhail, R. A.

    1990-12-01

    The Raman spectra of reacting molecules in liquids can yield information about various aspects of the reaction dynamics. The author discusses the analysis of Raman spectra for three prototypical unimolecular reactions, the rotational isomerization of n-butane and 1,2-difluoroethane, and the barrierless exchange of axial and equatorial hydrogens in cyclopentane via pseudorotation. In the first two cases the spectra are sensitive to torsional oscillations of the gauche conformer, and yield estimates of the torsional solvent friction. In the case of cyclopentane, the spectra can be used to discriminate between different stochastic models of the pseudorotation dynamics, and to determine the relevant friction coefficients.

  14. Study of elastic scattering between heavy ions. Reaction channel influence

    International Nuclear Information System (INIS)

    Doubre, Hubert.

    1978-01-01

    The role of absorption on the behavior of heavy ion angular distributions and excitaton functions has been investigated on light and medium mass systems. Comparison between 20 Ne+ 12 C and 16 O+ 16 O systems which lead to the same compound nucleus, shows that it originates from the direct channels strongly coupled to the entrance channel. Structures in the excitation functions occur for almost all the light systems and it is shown that the damping observed for heavier systems such as 40 Ca+ 40 Ca, essentially results on the predominance of Coulomb effects which hide the nuclear structure effects. Thus no valuable information on the details of S-matrix can be extracted for such an heavy system. A coherent description of the elastic scattering, based on a splitting of the scattering amplitude into two components, the modulus of each component varying smoothly as a function of energy and angle. The interference between these sub-amplitudes give rise to interference effects in angular distributions and excitation functions. The study of the main reaction channels of the 40 Ca+ 40 Ca system - i.e. deep inelastic reactions and fusion - also shows that the closed-shell nature of the interacting nuclei does not play any role in these processes due to the excitation processes in the first stage of the reactions which destroy the specific structure of the nuclei [fr

  15. Photon Energy Threshold in Direct Photocatalysis with Metal Nanoparticles: Key Evidence from the Action Spectrum of the Reaction.

    Science.gov (United States)

    Sarina, Sarina; Jaatinen, Esa; Xiao, Qi; Huang, Yi Ming; Christopher, Philip; Zhao, Jin Cai; Zhu, Huai Yong

    2017-06-01

    By investigating the action spectra (the relationship between the irradiation wavelength and apparent quantum efficiency of reactions under constant irradiance) of a number of reactions catalyzed by nanoparticles including plasmonic metals, nonplasmonic metals, and their alloys at near-ambient temperatures, we found that a photon energy threshold exists in each photocatalytic reaction; only photons with sufficient energy (e.g., higher than the energy level of the lowest unoccupied molecular orbitals) can initiate the reactions. This energy alignment (and the photon energy threshold) is determined by various factors, including the wavelength and intensity of irradiation, molecule structure, reaction temperature, and so forth. Hence, distinct action spectra were observed in the same type of reaction catalyzed by the same catalyst due to a different substituent group, a slightly changed reaction temperature. These results indicate that photon-electron excitations, instead of the photothermal effect, play a dominant role in direct photocatalysis of metal nanoparticles for many reactions.

  16. Experimental and theoretical studies of the reaction of the OH radical with alkyl sulfides: 1. Direct observations of the formation of the OH-DMS adduct-pressure dependence of the forward rate of addition and development of a predictive expression at low temperature.

    Science.gov (United States)

    Williams, M B; Campuzano-Jost, P; Cossairt, B M; Hynes, A J; Pounds, A J

    2007-01-11

    A pulsed laser photolysis-pulsed laser-induced fluorescence (PLP-PLIF) system was employed to study the kinetics and mechanisms of reactions (1) OH + h6-DMS --> products and (2) OH + d6-DMS --> products. We report direct observations of the rate coefficients for the formation and dissociation of the h6-OHDMS and d6-OHDMS adducts over the pressure range 50-650 Torr and between 240 and 245 K, together with measurements of the oxygen dependence of the effective rate coefficients for reactions 1 and 2 under similar conditions. The effective rate coefficients increased as a function of O2 concentration reaching their limiting values in each case. The values of the adduct formation rate, obtained from the O2 dependencies, were in excellent agreement with values determined from direct observation of adduct equilibration in N2. OH regeneration is insignificant. The rate coefficients for the formation of the adduct isotopomers showed slight differences in their falloff behavior and do not approach the high-pressure limit in either case. The equilibrium constants obtained show no dependence on isotopomer and are in good agreement with previous work. A "second-law" analysis of the temperature dependence of the equilibrium constant gives an adduct bond strength (DeltaH degrees =-10.9 +/- 1.0 kcal mol(-1)), also in good agreement with previously reported values. Using the entropy calculated from the ab initio vibrational frequencies, we obtain a "third-law" value for the reaction enthalpy at 240 K, DeltaH(240K) degrees = -10.5 kcal mol(-1) in good agreement with the other approach. The rate coefficient for the reactions of the adducts with O2 was obtained from an analysis of the O2 dependence and was determined to be 6.3 +/- 1.2 x 10(-13) cm3 molecule(-1) s(-1), with no dependence on pressure or isotopomer. The pressure and temperature dependence for all of the elementary processes in the initial steps of the dimethylsulfide (DMS) oxidation mechanism have been characterized in

  17. Adverse reactions from community directed treatment with ivermectin (CDTI for onchocerciasis and loiasis in Ondo State, Nigeria

    Directory of Open Access Journals (Sweden)

    O.A Otubanjo

    2008-12-01

    Full Text Available Onchocerciasis is an endemic disease in Ondo state, Nigeria. Community directed distribution of ivermectin is currently on-going in some local government areas of the state. Randomly selected persons (2 331 males and 2 469 females were interviewed using a modified rapid assessment procedure for Loa loa (RAPLOA to assess community directed treatment with ivermectin. The retrospective study evaluated the coverage, impacts and adverse reactions to the drug treatment. A questionnaire was administered by house-to-house visit in six local government areas, implementing community directed treatment with ivermectin (CDTI in this bioclimatic zone. A total of 2,398 respondents were reported to have participated in the treatment. The overall ivermectin coverage of 49.96% was recorded (range 0 - 52% in different communities. Adverse reactions from ivermectin administration were experienced in 38% of individuals. Diverse adverse reactions experienced included predominantly itching (18.50%; oedema, especially of the face and the limbs (8.2%; rashes (3.4% and body weakness (2.4%. Expulsion of intestinal worms occurred in 0.96% of the respondents. The occurrence of adverse reactions in relation to age categories was statistically significant. Neither fatal nor severe adverse reactions were reported by respondents. Significantly, despite experienced adverse reactions, continued participation, acceptability and compliance to ivermectin treatment was expressed by the various communities. This attitude is in consonance with the African Programme for Onchocerciasis Control (APOC objectives. Rev. Biol. Trop. 56 (4: 1635-1643. Epub 2008 December 12.La oncocercosis es endémica en el estado Ondo, Nigeria. Se seleccionaron 4 800 personas al azar para evaluar con encuesta retrospectiva la cobertura, efectos y reacciones al tratamiento farmacológico con ivermectina administrado por la misma comunidad. La cobertura global de ivermectina fue 50 % con reacciones adversas en

  18. Experimental study o the sodium-concrete reaction

    International Nuclear Information System (INIS)

    Goncalves, A.C.; Torres, A.R.; Brito Aghina, L.O. de; Messere e Castro, P.

    1986-01-01

    Effects and aspects of security are verified during a sodium leakage in high temperatures on liners of contention cells and directly on the concrete. As this kinetic process involves reactions between materials in solid state (such as oxides and carbonates) vapors and gases (such as water and CO 2 )) with liquid sodium, effects of each phase of the heterogeneous mixture are separately analysed. Are still analysed produced products and briefly discussed the kinetic of the sodium-concrete reaction. (Author) [pt

  19. Application of the Trojan Horse Method to study neutron induced reactions: the 17O(n, α14C reaction

    Directory of Open Access Journals (Sweden)

    Gulino M.

    2014-03-01

    Full Text Available The reaction 17O(n, α14C was studied using virtual neutrons coming from the quasi-free deuteron break-up in the three body reaction 17O+d → α+14C+p. This technique, called virtual neutron method, extends the Trojan Horse method to neutron-induced reactions allowing to study the reaction cross section avoiding the suppression effects coming from the penetrability of the centrifugal barrier. For incident neutron energies from thermal up to a few hundred keV, direct experiments have shown the population of two out of three expected excited states at energies 8213 keV and 8282 keV and the influence of the sub-threshold level at 8038 keV. In the present experiment the 18O excited state at E* = 8.125 MeV, missing in the direct measurement, is observed. The angular distributions of the populated resonances have been measured for the first time. The results unambiguously indicate the ability of the method to overcome the centrifugal barrier suppression effect and to pick out the contribution of the bare nuclear interaction.

  20. Highly enantio- and diastereoselective reactions of γ-substituted butenolides through direct vinylogous conjugate additions

    KAUST Repository

    Zhang, Wen; Tan, Davin; Lee, Richmond; Tong, Guanghu; Chen, Wenchao; Qi, Baojian; Huang, Kuo-Wei; Tan, Choonhong; Jiang, Zhiyong

    2012-01-01

    The strength of the weak: An L-tert-leucine-derived amine-thiourea catalyst (see scheme, green box) promotes the asymmetric vinylogous conjugate addition reaction between γ-aryl- and alkyl-substituted butenolides with the butenamides and enoates shown. Computational studies show the preference for the observed stereochemistry is a result of favourable weak non-bonding interactions, which stabilize the transition state. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Highly enantio- and diastereoselective reactions of γ-substituted butenolides through direct vinylogous conjugate additions

    KAUST Repository

    Zhang, Wen

    2012-09-05

    The strength of the weak: An L-tert-leucine-derived amine-thiourea catalyst (see scheme, green box) promotes the asymmetric vinylogous conjugate addition reaction between γ-aryl- and alkyl-substituted butenolides with the butenamides and enoates shown. Computational studies show the preference for the observed stereochemistry is a result of favourable weak non-bonding interactions, which stabilize the transition state. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Detecting paraprotein interference on a direct bilirubin assay by reviewing the photometric reaction data.

    Science.gov (United States)

    García-González, Elena; Aramendía, Maite; González-Tarancón, Ricardo; Romero-Sánchez, Naiara; Rello, Luis

    2017-07-26

    The direct bilirubin (D-Bil) assay on the AU Beckman Coulter instrumentation can be interfered by paraproteins, which may result in spurious D-Bil results. In a previous work, we took advantage of this fact to detect this interference, thus helping with the identification of patients with unsuspected monoclonal gammopathies. In this work, we investigate the possibility to detect interference based on the review of the photometric reactions, regardless of the D-Bil result. The D-Bil assay was carried out in a set of 2164 samples. It included a group of 164 samples with paraproteins (67 of which caused interference on the assay), as well as different groups of samples for which high absorbance background readings could also be expected (i.e. hemolyzed, lipemic, or icteric samples). Photometric reaction data were reviewed and receiver operating characteristics (ROC) curves were used to establish a cut-off for absorbance that best discriminates interference. The best cut-off was 0.0100 for the absorbance at the first photometric point of the complementary wavelength in the blank cuvette. Once the optimal cut-off for probable interference was selected, all samples analyzed in our laboratory that provided absorbance values above this cut-off were further investigated to try to discover paraproteins. During a period of 6 months, we detected 44 samples containing paraproteins, five of which belonged to patients with non-diagnosed monoclonal gammopathies. Review of the photometric reaction data permits the systematic detection of paraprotein interference on the D-Bil AU assay, even for samples for which reasonable results are obtained.

  3. 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.

  4. Computational comparison of quantum-mechanical models for multistep direct reactions

    International Nuclear Information System (INIS)

    Koning, A.J.; Akkermans, J.M.

    1993-01-01

    We have carried out a computational comparison of all existing quantum-mechanical models for multistep direct (MSD) reactions. The various MSD models, including the so-called Feshbach-Kerman-Koonin, Tamura-Udagawa-Lenske and Nishioka-Yoshida-Weidenmueller models, have been implemented in a single computer system. All model calculations thus use the same set of parameters and the same numerical techniques; only one adjustable parameter is employed. The computational results have been compared with experimental energy spectra and angular distributions for several nuclear reactions, namely, 90 Zr(p,p') at 80 MeV, 209 Bi(p,p') at 62 MeV, and 93 Nb(n,n') at 25.7 MeV. In addition, the results have been compared with the Kalbach systematics and with semiclassical exciton model calculations. All quantum MSD models provide a good fit to the experimental data. In addition, they reproduce the systematics very well and are clearly better than semiclassical model calculations. We furthermore show that the calculated predictions do not differ very strongly between the various quantum MSD models, leading to the conclusion that the simplest MSD model (the Feshbach-Kerman-Koonin model) is adequate for the analysis of experimental data

  5. Reaction

    African Journals Online (AJOL)

    abp

    19 oct. 2017 ... Reaction to Mohamed Said Nakhli et al. concerning the article: "When the axillary block remains the only alternative in a 5 year old child". .... Bertini L1, Savoia G, De Nicola A, Ivani G, Gravino E, Albani A et al ... 2010;7(2):101-.

  6. Exploiting Synergistic Effects in Organozinc Chemistry for Direct Stereoselective C-Glycosylation Reactions at Room Temperature.

    Science.gov (United States)

    Hernan-Gomez, Alberto; Orr, Samantha; Uzelac, Marina; Kennedy, Alan; Barroso, Santiago; Jusseau, Xavier; Lemaire, Sebastien; Farina, Vittorio; Hevia, Eva

    2018-06-01

    Pairing a range of bis(aryl) zinc reagents ZnAr2 with the stronger Lewis acidic [(ZnArF2)] (ArF = C6F5), enables highly stereoselective cross-coupling between glycosyl bromides and ZnAr2 without the use of a transition metal. Reactions occur at room temperature with excellent levels of stereoselectivity, where ZnArF2 acts as a non-coupling partner although its presence is crucial for the execution of the C(sp2)-C(sp3) bond formation process. Mechanistic studies have uncovered a unique synergistic partnership between the two zinc reagents, which circumvents the need for transition-metal catalysis or forcing reaction conditions. Key to the success of the coupling is the avoidance of solvents that act as Lewis bases vs. diarylzinc compounds (e.g. THF. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Early Studies of Binocular and Binaural Directions

    Directory of Open Access Journals (Sweden)

    Nicholas J. Wade

    2018-03-01

    Full Text Available Understanding how the eyes work together to determine the direction of objects provided the impetus for examining integration of signals from the ears to locate sounds. However, the advantages of having two eyes were recorded long before those for two ears were appreciated. In part, this reflects the marked differences in how we can compare perception with one or two organs. It is easier to close one eye and examine monocular vision than to “close” one ear and study monaural hearing. Moreover, we can move our eyes either in the same or in opposite directions, but humans have no equivalent means of moving the ears in unison. Studies of binocular single vision can be traced back over two thousand years and they were implicitly concerned with visual directions from each eye. The location of any point in visual or auditory space can be described by specifying its direction and distance, from the vantage point of an observer. From the late 18th century experiments indicated that binocular direction involved an eye movement component and experimental studies of binaural direction commenced slightly later. However, these early binocular and binaural experiments were not incorporated into theoretical accounts until almost a century later. The early history of research on visual direction with two eyes is contrasted to that on auditory direction with two ears.

  8. NASTRAN buckling study of a linear induction motor reaction rail

    Science.gov (United States)

    Williams, J. G.

    1973-01-01

    NASTRAN was used to study problems associated with the installation of a linear induction motor reaction rail test track. Specific problems studied include determination of the critical axial compressive buckling stress and establishment of the lateral stiffness of the reaction rail under combined loads. NASTRAN results were compared with experimentally obtained values and satisfactory agreement was obtained. The reaction rail was found to buckle at an axial compressive stress of 11,400 pounds per square inch. The results of this investigation were used to select procedures for installation of the reaction rail.

  9. Crossed molecular beam studies of unimolecular reaction dynamics

    International Nuclear Information System (INIS)

    Buss, R.J.

    1979-04-01

    The study of seven radical-molecule reactions using the crossed molecular beam technique with supersonic nozzle beams is reported. Product angular and velocity distributions were obtained and compared with statistical calculations in order to identify dynamical features of the reactions. In the reaction of chlorine and fluorine atoms with vinyl bromide, the product energy distributions are found to deviate from predictions of the statistical model. A similar effect is observed in the reaction of chlorine atoms with 1, 2 and 3-bromopropene. The reaction of oxygen atoms with ICl and CF 3 I has been used to obtain an improved value of the IO bond energy, 55.0 +- 2.0 kcal mol -1 . In all reactions studied, the product energy and angular distributions are found to be coupled, and this is attributed to a kinematic effect of the conservation of angular momentum

  10. Direct determination of enthalpies of solid phase reactions by immersion method; Determination directe des enthalpies de reaction en phase solide par une methode de plongee

    Energy Technology Data Exchange (ETDEWEB)

    Roux, A; Richard, M; Eyraud, L; Stevanovic, M; Elston, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-07-01

    It is not generally possible to measure the enthalpy change corresponding to solid phase reactions using the dynamic differential thermal analysis method because these reactions are usually too slow at the temperature of operation of present equipment. A ballistic differential thermal analysis apparatus has been developed which is based on an immersion-compensation method; it overcomes the difficulties previously encountered. This apparatus has been used after calibration for determining the enthalpies of formation of calcium and cadmium titanates. and also the Wigner energies of BeO, MgO and Al{sub 2}O{sub 3} samples irradiated at variable dose at a temperature of under 100 deg. C. (authors) [French] Il n'est generalement pas possible de mesurer la variation d'enthalpie correspondant aux reactions en phase solide par la methode d'analyse thermique differentielle dynamique. En effet, ces reactions sont le plus souvent trop lentes aux temperatures d'utilisation des dispositifs actuels. Un appareil d'analyse thermique differentielle balistique, base sur une methode de plongee avec compensation, a ete mis au point et permet de surmonter les difficultes precedentes. Apres etalonnages, cet appareil a ete utilise pour la determination des enthalpies de formation du titanate de calcium et du titanate de cadmium ainsi que pour celle des energies Wigner emmagasinees dans des echantillons de BeO, MgO et Al{sub 2}O{sub 3} irradies a une temperature inferieure a 100 deg. C et a differentes doses. (auteurs)

  11. 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 ...

  12. Fragmentation and direct transfer reactions for 40Ar incident beam on 27Al target at 1760 MeV

    International Nuclear Information System (INIS)

    Cisse, Ousmane

    1985-01-01

    Peripheral collision studies performed with 40 Ar projectiles at 44 MeV/A and 27 Al target show that both fragmentation and transfer reactions can be discerned in this type of interaction. The experimental observation of fragments with masses charges and velocities close to those of the incident beam are the signature of transfer reactions and a detailed analysis of the energy spectra of such fragments has been carried out and interpreted in terms of a direct diffraction transfer model. On the other hand, for large mass transfer reactions, abrasion is the suitable mechanism. Inclusive fragment measurement together with the appropriate residual nuclei-fragment coincidence results then provides experimental data in good agreement with the theoretical predictions obtained from a participant spectator model. These investigations also indicate that the separation energies of the participant from the spectator nucleus, at least within the framework of the above model, can be interpreted in terms of a friction force which becomes more efficient as the projectile energy decreases. (author) [fr

  13. A discrete model to study reaction-diffusion-mechanics systems.

    Science.gov (United States)

    Weise, Louis D; Nash, Martyn P; Panfilov, Alexander V

    2011-01-01

    This article introduces a discrete reaction-diffusion-mechanics (dRDM) model to study the effects of deformation on reaction-diffusion (RD) processes. The dRDM framework employs a FitzHugh-Nagumo type RD model coupled to a mass-lattice model, that undergoes finite deformations. The dRDM model describes a material whose elastic properties are described by a generalized Hooke's law for finite deformations (Seth material). Numerically, the dRDM approach combines a finite difference approach for the RD equations with a Verlet integration scheme for the equations of the mass-lattice system. Using this framework results were reproduced on self-organized pacemaking activity that have been previously found with a continuous RD mechanics model. Mechanisms that determine the period of pacemakers and its dependency on the medium size are identified. Finally it is shown how the drift direction of pacemakers in RDM systems is related to the spatial distribution of deformation and curvature effects.

  14. A discrete model to study reaction-diffusion-mechanics systems.

    Directory of Open Access Journals (Sweden)

    Louis D Weise

    Full Text Available This article introduces a discrete reaction-diffusion-mechanics (dRDM model to study the effects of deformation on reaction-diffusion (RD processes. The dRDM framework employs a FitzHugh-Nagumo type RD model coupled to a mass-lattice model, that undergoes finite deformations. The dRDM model describes a material whose elastic properties are described by a generalized Hooke's law for finite deformations (Seth material. Numerically, the dRDM approach combines a finite difference approach for the RD equations with a Verlet integration scheme for the equations of the mass-lattice system. Using this framework results were reproduced on self-organized pacemaking activity that have been previously found with a continuous RD mechanics model. Mechanisms that determine the period of pacemakers and its dependency on the medium size are identified. Finally it is shown how the drift direction of pacemakers in RDM systems is related to the spatial distribution of deformation and curvature effects.

  15. Investigation of direct photon production in 200 A GeV S + Au reactions

    International Nuclear Information System (INIS)

    1994-01-01

    Direct thermal photons in the p T range of 0--5 GeV/c are expected to provide a sensitive probe of the early conditions of the Quark Gluon Plasma which may be formed in relativistic heavy ion collisions. The production of single photons in 200 A GeV S + Au reactions has been investigated using the 3,800 element Pbglass calorimeter of CERN experiment WA80. Neutral π 0 and η cross sections have been measured via their two-photon decay branch yields. The measured π 0 and η cross sections have been used to calculate the expected inclusive yield of decay photons. Excess photon yield, beyond that attributed to radiative decays and background sources, may be associated with thermal photon emission. Excess, ''direct'' photon yields have been extracted from high-statistics S + Au photon data for different event centrality classes. A slight excess photon yield above that which may be accounted for by hadronic decays was observed for central events

  16. A mechanochemical study of the effects of compression on a Diels-Alder reaction

    Science.gov (United States)

    Jha, Sanjiv K.; Brown, Katie; Todde, Guido; Subramanian, Gopinath

    2016-08-01

    We examine the effects of compressive external forces on the mechanisms of the parent Diels-Alder (DA) reaction between butadiene and ethylene. Reaction pathways and transition states were calculated using the nudged elastic band method within a mechanochemical framework at the CASSCF(6,6)/6-31G**, as well as the B3LYP/6-311++G** levels of theory. Our results suggest that compressive hydrostatic pressure lowers the energy barrier for the parent DA reaction while suppressing the undesirable side reaction, thereby leading to a direct increase in the yield of cyclohexene. Compressive pressure also increases the exothermicity of the parent DA reaction, which would lead to increased temperatures in a reaction vessel and thereby indirectly increase the yield of cyclohexene. Our estimates indicate that the compression used in our study corresponds to a range of 68 MPa-1410 MPa.

  17. Matrix isolation as a tool for studying interstellar chemical reactions

    Science.gov (United States)

    Ball, David W.; Ortman, Bryan J.; Hauge, Robert H.; Margrave, John L.

    1989-01-01

    Since the identification of the OH radical as an interstellar species, over 50 molecular species were identified as interstellar denizens. While identification of new species appears straightforward, an explanation for their mechanisms of formation is not. Most astronomers concede that large bodies like interstellar dust grains are necessary for adsorption of molecules and their energies of reactions, but many of the mechanistic steps are unknown and speculative. It is proposed that data from matrix isolation experiments involving the reactions of refractory materials (especially C, Si, and Fe atoms and clusters) with small molecules (mainly H2, H2O, CO, CO2) are particularly applicable to explaining mechanistic details of likely interstellar chemical reactions. In many cases, matrix isolation techniques are the sole method of studying such reactions; also in many cases, complexations and bond rearrangements yield molecules never before observed. The study of these reactions thus provides a logical basis for the mechanisms of interstellar reactions. A list of reactions is presented that would simulate interstellar chemical reactions. These reactions were studied using FTIR-matrix isolation techniques.

  18. Transverse flow reactor studies of the dynamics of radical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Macdonald, R.G. [Argonne National Laboratory, IL (United States)

    1993-12-01

    Radical reactions are in important in combustion chemistry; however, little state-specific information is available for these reactions. A new apparatus has been constructed to measure the dynamics of radical reactions. The unique feature of this apparatus is a transverse flow reactor in which an atom or radical of known concentration will be produced by pulsed laser photolysis of an appropriate precursor molecule. The time dependence of individual quantum states or products and/or reactants will be followed by rapid infrared laser absorption spectroscopy. The reaction H + O{sub 2} {yields} OH + O will be studied.

  19. Direct projectile break up its relation to the astrophysically revelant fusion reactions

    International Nuclear Information System (INIS)

    Bertulani, C.A.; Hussein, M.S.

    1990-05-01

    The break-up into two pieces of weakly bound nuclei passing by the Coulomb field of a large Z nucleus can provide useful information on the inverse fusion reactions which are important for the elemental formation in the stars. However, the nuclear interaction complicates considerably the extraction of such information. A study is made of the contributions of the Coulomb and nuclear interaction to the process, showing when the Coulomb break-up prevails and how a reliable separation of multipolarities can be done. (author)

  20. High-pressure synthesis of rhombohedral α-AgGaO{sub 2} via direct solid state reaction

    Energy Technology Data Exchange (ETDEWEB)

    Akhtar, Meysam [Department of Physics and Astronomy, University of Louisville, 102 Natural Science Building, Louisville, KY 40292 (United States); Menon, Madhu [Center for Computational Sciences, University of Kentucky, 325 McVey Hall, Lexington, KY 40506 (United States); Sunkara, Mahendra [Conn Center for Renewable Energy Research, University of Louisville, Ernst Hall Room 102A, Louisville, KY 40292 (United States); Sumanasekera, Gamini [Department of Physics and Astronomy, University of Louisville, 102 Natural Science Building, Louisville, KY 40292 (United States); Conn Center for Renewable Energy Research, University of Louisville, Ernst Hall Room 102A, Louisville, KY 40292 (United States); Durygin, Andriy [Center for the Study of Matter at Extreme Conditions, Florida International University, VH 140, University Park, Miami, FL 33199 (United States); Jasinski, Jacek B., E-mail: jacek.jasinski@louisville.edu [Conn Center for Renewable Energy Research, University of Louisville, Ernst Hall Room 102A, Louisville, KY 40292 (United States)

    2015-08-25

    Highlights: • Direct synthesis of α-AgGaO{sub 2} via a solid state reaction of Ag{sub 2}O and Ga{sub 2}O{sub 3} powders. • Utilizing high pressure diamond anvil cell to facilitate solid state reaction. • Experimental and theoretical study of vibrational modes for α-AgGaO{sub 2}. • Extensive characterization of synthesized α-AgGaO{sub 2} samples. • GGA + U formalism-based DFT calculations of electronic structure and band gap in α-AgGaO{sub 2}. - Abstract: In this work, we demonstrate the application of high pressure conditions to enable the direct synthesis of α-AgGaO{sub 2} via a solid state reaction of Ag{sub 2}O and Ga{sub 2}O{sub 3}. Synthesis experiments were carried out at pressures and temperatures up to ∼10 GPa and ∼600 °C, respectively, using a resistively-heated diamond anvil cell. Thus synthesized α-AgGaO{sub 2} samples were characterized and their chemical composition and crystal structure were confirmed. In particular, electron diffraction confirmed the rhombohedral delafossite crystal structure of the synthesized AgGaO{sub 2} and its corresponding lattice parameters of a = 2.99 Å and c = 18.43 Å. The vibrational modes analysis was also conducted using a combination of ab initio density functional theory (DFT) and Raman spectroscopy. This analysis yielded good agreement between the calculated Raman-active modes and experimental Raman data. Finally, the application of the GGA + U formalism-based on DFT to calculate the electronic band structure of α-AgGaO{sub 2} provided a more realistic theoretical band gap value than those reported previously.

  1. High precision studies of directional correlations

    International Nuclear Information System (INIS)

    El-khosht, M.

    1980-01-01

    Two applications of the method of directional correlations are described. The first part deals with gamma-gamma directional correlations measurements. A total of 27 cascades have been studied in 97 Tc, 206 Pb and 206 Bi. Information is obtained on the angular momenta of levels, multipolarities of electromagnetic transitions and further, reduced transition probabilities. The later part of this thesis describes a determination of anisotropic directional correlation between gamma-rays and LX-rays in 160 Dy. To the authors' knowledge this is the first observation of an anisotropic correlation between gamma rays and X-rays following internal conversion. (Auth.)

  2. An experimental and theoretical study of reaction steps relevant to the methanol-to-hydrocarbons reaction

    Energy Technology Data Exchange (ETDEWEB)

    Svelle, Stian

    2004-07-01

    The primary objective of the present work is to obtain new insight into the reaction mechanism of the zeolite catalyzed methanol-to-hydrocarbons (MTH) reaction. It was decided to use both experimental and computational techniques to reach this goal. An investigation of the n-butene + methanol system was therefore initiated. Over time, it became apparent that it was possible to determine the rate for the methylation of n-butene by methanol. The ethene and propene systems were therefore reexamined in order to collect kinetic information also for those cases. With the development of user-friendly quantum chemistry programs such as the Gaussian suite of programs, the possibility of applying quantum chemical methods to many types of problems has become readily available even for non-experts. When performing mechanistic studies, there is quite often a considerable synergy effect when combining experimental and computational approaches. The methylation reactions mentioned above turned out to be an issue well suited for quantum chemical investigations. The incentive for examining the halomethane reactivity was the clear analogy to the MTH reaction system. Alkene dimerization was also a reaction readily examined with quantum chemistry. As discussed in the introduction of this thesis, polymethylbenzenes, or their cationic counterparts, are suspected to be key intermediates in the MTH reaction. It was therefore decided to investigate the intrinsic reactivity of these species in the gas-phase by employing sophisticated mass spectrometric (MS) techniques in collaboration with the MS group at the Department of Chemistry, University of Oslo The data thus obtained will also be compared with results from an ongoing computational study on gas phase polymethylbenzenium reactivity. 6 papers presenting various studies are included. The titles are: 1) A Theoretical Investigation of the Methylation of Alkenes with Methanol over Acidic Zeolites. 2) A Theoretical Investigation of the

  3. An experimental and theoretical study of reaction steps relevant to the methanol-to-hydrocarbons reaction

    Energy Technology Data Exchange (ETDEWEB)

    Svelle, Stian

    2004-07-01

    The primary objective of the present work is to obtain new insight into the reaction mechanism of the zeolite catalyzed methanol-to-hydrocarbons (MTH) reaction. It was decided to use both experimental and computational techniques to reach this goal. An investigation of the n-butene + methanol system was therefore initiated. Over time, it became apparent that it was possible to determine the rate for the methylation of n-butene by methanol. The ethene and propene systems were therefore reexamined in order to collect kinetic information also for those cases. With the development of user-friendly quantum chemistry programs such as the Gaussian suite of programs, the possibility of applying quantum chemical methods to many types of problems has become readily available even for non-experts. When performing mechanistic studies, there is quite often a considerable synergy effect when combining experimental and computational approaches. The methylation reactions mentioned above turned out to be an issue well suited for quantum chemical investigations. The incentive for examining the halomethane reactivity was the clear analogy to the MTH reaction system. Alkene dimerization was also a reaction readily examined with quantum chemistry. As discussed in the introduction of this thesis, polymethylbenzenes, or their cationic counterparts, are suspected to be key intermediates in the MTH reaction. It was therefore decided to investigate the intrinsic reactivity of these species in the gas-phase by employing sophisticated mass spectrometric (MS) techniques in collaboration with the MS group at the Department of Chemistry, University of Oslo The data thus obtained will also be compared with results from an ongoing computational study on gas phase polymethylbenzenium reactivity. 6 papers presenting various studies are included. The titles are: 1) A Theoretical Investigation of the Methylation of Alkenes with Methanol over Acidic Zeolites. 2) A Theoretical Investigation of the

  4. Crystalline state photoreactions direct observation of reaction processes and metastable intermediates

    CERN Document Server

    Ohashi, Yuji

    2014-01-01

    Offering some 300 references, this book focuses on chemical reactions in the crystalline state. The reactions span many fields in inorganic and organic chemistry, making this a useful resource for inorganic, organic and physical chemists and graduate students.

  5. Unexpected allergic reactions to food, a prospective study

    NARCIS (Netherlands)

    Michelsen-Huisman, A.D.; Os-Medendorp, H. van; Versluis, A.; Kruizinga, A.G.; Castenmiller, J.J.M.; Noteborn, H.P.J.M.; Houben, G.F.; Knulst, A.C.

    2013-01-01

    Unexpected reactions occur in patients with food allergy, but frequency data are scare. This prospective study investigates the frequency, severity and causes of unexpected allergic reactions to food in adults with a doctor's diagnosed food allergy. Participants complete an online questionnaire

  6. Electromagnetic studies of nuclear structure and reactions

    Energy Technology Data Exchange (ETDEWEB)

    Hersman, F.W.; Dawson, J.F.; Heisenberg, J.H.; Calarco, J.R.

    1990-06-01

    This report contains papers on the following topics: giant resonance studies; deep inelastic scattering studies; high resolution nuclear structure work; and relativistic RPA; and field theory in the Schroedinger Representation.

  7. Electromagnetic studies of nuclear structure and reactions

    International Nuclear Information System (INIS)

    Hersman, F.W.; Dawson, J.F.; Heisenberg, J.H.; Calarco, J.R.

    1990-06-01

    This report contains papers on the following topics: giant resonance studies; deep inelastic scattering studies; high resolution nuclear structure work; and relativistic RPA; and field theory in the Schroedinger Representation

  8. Intrinsic reaction kinetics of coal char combustion by direct measurement of ignition temperature

    International Nuclear Information System (INIS)

    Kim, Ryang-Gyoon; Jeon, Chung-Hwan

    2014-01-01

    A wire heating reactor that can use a synchronized experimental method was developed to obtain the intrinsic kinetics of large coal char particles ranging in size from 0.4 to 1 mm. This synchronization system consists of three parts: a thermocouple wire for both heating and direct measurement of the particle temperature, a photodetector sensor for determining ignition/burnout points by measuring the intensity of luminous emission from burning particles, and a high-speed camera–long-distance microscope for observing and recording the movement of luminous zone directly. Coal char ignition was found to begin at a spot on the particle's external surface and then moved across the entire particle. Moreover, the ignition point determined according to the minimum of dT/dt is a spot point and not a full growth point. The ignition temperature of the spot point rises as the particle diameter increases. A spot ignition model, which describes the ignition in terms of the internal conduction and external/internal oxygen diffusion, was then developed to evaluate the intrinsic kinetics and predict the ignition temperature of the coal char. Internal conduction was found to be important in large coal char particles because its effect becomes greater than that of oxygen diffusion as the particle diameter increases. In addition, the intrinsic kinetics of coal char obtained from the spot ignition model for two types of coal does not differ significantly from the results of previous investigators. -- Highlights: • A novel technique was used to measure the coal char particle temperature. • The ignition point determined from a dT/dt minimum is a spot ignition point. • A spot ignition model was suggested to analyze the intrinsic reaction kinetics of coal char. • Internal conduction has to be considered in order to evaluate the intrinsic kinetics for larger particle (above 1 mm)

  9. Direct synthesis of bimetallic PtCo mesoporous nanospheres as efficient bifunctional electrocatalysts for both oxygen reduction reaction and methanol oxidation reaction

    Science.gov (United States)

    Wang, Hongjing; Yu, Hongjie; Li, Yinghao; Yin, Shuli; Xue, Hairong; Li, Xiaonian; Xu, You; Wang, Liang

    2018-04-01

    The engineering of electrocatalysts with high performance for cathodic and/or anodic catalytic reactions is of great urgency for the development of direct methanol fuel cells. Pt-based bimetallic alloys have recently received considerable attention in the field of fuel cells because of their superior catalytic performance towards both fuel molecule electro-oxidation and oxygen reduction. In this work, bimetallic PtCo mesoporous nanospheres (PtCo MNs) with uniform size and morphology have been prepared by a one-step method with a high yield. The as-made PtCo MNs show superior catalytic activities for both oxygen reduction reaction and methanol oxidation reaction relative to Pt MNs and commercial Pt/C catalyst, attributed to their mesoporous structure and bimetallic composition.

  10. The Reaction Mechanism of Claisen Rearrangement Obtained by Transition State Spectroscopy and Single Direct-Dynamics Trajectory

    Directory of Open Access Journals (Sweden)

    Takayoshi Kobayashi

    2013-02-01

    Full Text Available Chemical bond breaking and formation during chemical reactions can be observed using “transition state spectroscopy”. Comparing the measurement result of the transition state spectroscopy with the simulation result of single direct-dynamics trajectory, we have elucidated the reaction dynamics of Claisen rearrangement of allyl vinyl ether. Observed the reaction of the neat sample liquid, we have estimated the time constants of transformation from straight-chain structure to aromatic-like six-membered ring structure forming the C1-C6 bond. The result clarifies that the reaction proceeds via three steps taking longer time than expected from the gas phase calculation. This finding provides new hypothesis and discussions, helping the development of the field of reaction mechanism analysis.

  11. Acetate self-mixing and direct thermal reaction for preparation of LiCoO2

    International Nuclear Information System (INIS)

    Jung, Bum-Young; Kang, Hyun-Koo; Jeong, In-Seong; Han, Kyoo-Seung; Lee, Youngil; Choo, Jaebum; Ryu, Kwang Sun

    2004-01-01

    Layered LiCoO 2 as a cathode material for rechargeable lithium battery is prepared using the acetate self-mixing method. Using this method, the preparation procedure consists of just two steps: spontaneous and homogeneous mixing of molten acetates at 80 deg. C, as well as direct thermal reaction at high temperature without any pulverization, grinding, agglomeration, particle morphology controlling, particle size controlling, and even artificial stirring of reactants. When lithium and cobalt acetates are exposed to the temperature of 80 deg. C, they can be fluidized substances by themselves without any solvents and spontaneously mixed together. In this way, layered LiCoO 2 phase is prepared by just simple heat treatment. The heating at 350 deg. C is interposed to accomplish steady intermediate phase translation without any intermittent cooling. The 7 Li MAS NMR and Raman spectra upon the thermal exposure of the reactants demonstrate the feature of the spontaneous mixing process of the molten reactants. The LiCoO 2 prepared by the acetate self-mixing method show quite prospective properties as a cathode material for lithium rechargeable battery, an initial discharge capacity of 149.5 mAh/g and the discharge capacity retention of 98.9% and 97.5% after 10 and 20 cycles, respectively

  12. Description of heavy-ion fusion in terms of direct reaction theory

    International Nuclear Information System (INIS)

    Hong, S.W.

    1987-01-01

    A direct reaction description of the heavy-ion fusion, proposed by Udagawa, Kim and Tamura, has been successfully used in calculating the fusion cross sections and the spin distributions for a number of systems in the energy regions from the sub-barrier to the above-barrier region. A fusion potential is introduced in this theory and the radius of the fusion potential is treated as an adjustable parameter. The theory is thus a one-parameter theory. The results obtained by Udagawa, Kim and Tamura showed that the radius parameter ranges from 1.4 to 1.5 fm, which is much larger than the radius (1.0 fm) used in other models. A hard evidence is shown to demonstrate the necessity of the long-ranged fusion potential radius in the near-barrier region. In the above-barrier region, the use of the energy-dependent optical potential and the energy-dependent fusion potential radius is proved to be essential in reproducing the measured fusion cross sections. As a further application of the theory, the double folded potential model is utilized to provide the real part of the optical potential. The imaginary part of the optical potential is determined so that not only the elastic scattering but also the fusion cross sections can be reproduced

  13. Use of Isotopes for Studying Reaction Mechanisms

    Indian Academy of Sciences (India)

    their positions rapidly. This is especially true of carbocations and ... Several specific examples can be quoted. Ammonia is a ... All experimental studies on this system were ... rearrangement. Hence, the species will have a relatively simple 13C.

  14. 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

  15. Theoretical Study of Sodium-Water Surface Reaction Mechanism

    Science.gov (United States)

    Kikuchi, Shin; Kurihara, Akikazu; Ohshima, Hiroyuki; Hashimoto, Kenro

    Computational study of the sodium-water reaction at the gas (water) - liquid (sodium) interface has been carried out using the 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 on 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. It was found that the estimated rate constant of the former was much larger than the latter. The results are the basis for constructing the chemical reaction model used in a multi-dimensional sodium-water reaction code, SERAPHIM, being developed by Japan Atomic Energy Agency (JAEA) toward the safety assessment of the steam generator (SG) in a sodium-cooled fast reactor (SFR).

  16. Theoretical study of sodium-water surface reaction mechanism

    International Nuclear Information System (INIS)

    Kikuchi, Shin; Kurihara, Akikazu; Ohshima, Hiroyuki; Hashimoto, Kenro

    2012-01-01

    Computational study of the sodium-water reaction at the gas (water) - liquid (sodium) interface has been carried out using the 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 on 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. It was found that the estimated rate constant of the former was much larger than the latter. The results are the basis for constructing the chemical reaction model used in a multi-dimensional sodium-water reaction code, SERAPHIM, being developed by Japan Atomic Energy Agency (JAEA) toward the safety assessment of the steam generator (SG) in a sodium-cooled fast reactor (SFR). (author)

  17. Spallation reactions studied with 4 -detector arrays

    Indian Academy of Sciences (India)

    of inert or biological materials, these neutrons can be used to study details of the material ... ping zone- or neck-built up with part of projectile- and target-nuclei). ..... also been designed to complement the set of tools at our disposal [40].

  18. Giant resonance spectroscopy of 40Ca with the (e,e'x) reaction (III): Direct versus statistical decay

    International Nuclear Information System (INIS)

    Carter, J.; Diesener, H.; Helm, U.; Herbert, G.; Neumann-Cosel, P. von; Richter, A.; Schrieder, G.; Strauch, S.

    2001-01-01

    The present article is the third out of three on a study of the 40 Ca(e,e'x) reaction discussing the role of direct and statistical contributions to the decay of the observed giant resonance strengths. The proton and α decay modes leading to low-lying final states in 36 Ar and 39 K were investigated. The branching ratios for the p 0 , p 123 , α 0 and α 1 channels are compared to statistical model calculations. In the excitation region of dominant isoscalar E2 strength (E x =12-18 MeV) good agreement is observed. Model predictions of direct E2 decay for the (α 0 +α 1 )/(p 0 +p 1 ) ratio describe the data poorly. In the isovector E1 excitation region large excess strength is found in the population of low-lying states in 39 K. A fluctuation analysis shows the direct contributions to the p 0 , p 1 channels to be ≥85%. The presence of preequilibrium components is indicated by the significant nonstatistical decay to the p 3 level which has a dominant 'phonon·hole' structure. Cross correlations reveal no significant branching between the different channels. The correlations between different electron scattering angles in the p 0 , p 1 and p 3 decay result in an interaction radius compatible with the whole nucleus acting as an emitting source

  19. Theoretical Studies of Elementary Hydrocarbon Species and Their Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Allen, Wesley D. [Univ. of Georgia, Athens, GA (United States). Dept. of Chemistry. Center for Computational Quantum Chemistry; Schaefer, III, Henry F. [Univ. of Georgia, Athens, GA (United States). Dept. of Chemistry. Center for Computational Quantum Chemistry

    2015-11-14

    This is the final report of the theoretical studies of elementary hydrocarbon species and their reactions. Part A has a bibliography of publications supported by DOE from 2010 to 2016 and Part B goes into recent research highlights.

  20. Study of ODE limit problems for reaction-diffusion equations

    Directory of Open Access Journals (Sweden)

    Jacson Simsen

    2018-01-01

    Full Text Available In this work we study ODE limit problems for reaction-diffusion equations for large diffusion and we study the sensitivity of nonlinear ODEs with respect to initial conditions and exponent parameters. Moreover, we prove continuity of the flow and weak upper semicontinuity of a family of global attractors for reaction-diffusion equations with spatially variable exponents when the exponents go to 2 in \\(L^{\\infty}(\\Omega\\ and the diffusion coefficients go to infinity.

  1. ADVERSE REACTIONS OF BLOOD DONATION: A PROSPECTIVE OBSERVATIONAL STUDY

    OpenAIRE

    Kandukuri Mahesh; Ravikanth; Chinthakindi; Shashi Kiran; Sudhir Kuma

    2014-01-01

    BACKGROUND: Voluntary donors normally tolerate blood donation very well as the history and preliminary examination is clear without any hidden history or facts related to the health status of the donor, occasionally, adverse reactions of variable severity may occur during or at the end of the collection. AIM: Aim of this study is to estimate and possibly avoid the cause of unwanted reactions. MATERIALS AND METHODS: This study is conducted over a period of three years, from ...

  2. Feasibility of Traveling Wave Direct Energy Conversion of Fission Reaction Fragments

    Science.gov (United States)

    Tarditi, A. G.; George, J. A.; Miley, G. H.; Scott, J. H.

    2013-01-01

    Fission fragment direct energy conversion has been considered in the past for the purpose of increasing nuclear power plant efficiency and for advanced space propulsion. Since the fragments carry electric charge (typically in the order of 20 e) and have 100 MeV-range kinetic energy, techniques utilizing very high-voltage DC electrodes have been considered. This study is focused on a different approach: the kinetic energy of the charged fission fragments is converted into alternating current by means of a traveling wave coupling scheme (Traveling Wave Direct Energy Converter, TWDEC), thereby not requiring the utilization of high voltage technology. A preliminary feasibility analysis of the concept is introduced based on a conceptual level study and on a particle simulation model of the beam dynamics.

  3. Theoretical Studies of Elementary Hydrocarbon Species and Their Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Allen, Wesley D. [University of Georgia, Department of Chemistry and Center for Computational Quantum Chemistry; Schaefer, Henry F. [University of Georgia, Center for Computational Quantum Chemistry

    2018-04-08

    The research program supported by this DOE grant carried out both methodological development and computational applications of first-principles theoretical chemistry based on quantum mechanical wavefunctions, as directed toward understanding and harnessing the fundamental chemical physics of combustion. To build and refine the world’s database of thermochemistry, spectroscopy, and chemical kinetics, predictive and definitive computational methods are needed that push the envelope of modern electronic structure theory. The application of such methods has been made to gain comprehensive knowledge of the paradigmatic reaction networks by which the n- and i-propyl, t-butyl, and n-butyl radicals are oxidized by O2. Numerous ROO and QOOH intermediates in these R + O2 reaction systems have been characterized along with the interconnecting isomerization transition states and the barriers leading to fragmentation. Other combustion-related intermediates have also been studied, including methylsulfinyl radical, cyclobutylidene, and radicals derived from acetaldehyde and vinyl alcohol. Theoretical advances have been achieved and made available to the scientific community by implementation into PSI4, an open-source electronic structure computer package emphasizing automation, advanced libraries, and interoperability. We have pursued the development of universal explicitly correlated methods applicable to general electronic wavefunctions, as well as a framework that allows multideterminant reference functions to be expressed as a single determinant from quasiparticle operators. Finally, a rigorous analytical tool for correlated wavefunctions has been created to elucidate dispersion interactions, which play essential roles in many areas of chemistry, but whose effects are often masked and enigmatic. Our research decomposes and analyzes the coupled-cluster electron correlation energy in molecular systems as a function of interelectronic distance. Concepts

  4. Oxidation-reduction reactions. Overview and implications for repository studies

    International Nuclear Information System (INIS)

    Apted, Michael J.; Arthur, Randolph C.; Sasamoto, Hiroshi; Yui, Mikazu; Iwatsuki, Teruki

    2001-02-01

    The purpose of this report is to provide a survey and review on oxidation-reduction ('redox') reactions, with particular emphasis on implications for disposal of high-level waste (HLW) in deep geological formations. As an overview, the focus is on basic principles, problems, and proposed research related specifically to the assessment of redox for a HLW repository in Japan. For a more comprehensive treatment of redox and the myriad associated issues, the reader is directed to the cited textbooks used as primary references in this report. Low redox conditions in deep geological formations is a key assumption in the 'Second Progress Report on Research and Development for the Geological Disposal of HLW in Japan' (hereafter called H12'). The release behavior of multi-valent radioelements (e.g., Tc, Se, U, Pu, Np), as well as daughter radioelements of these radioelements, from a deep geological repository are sensitively related to redox conditions. Furthermore, the performance of certain barrier materials, such as overpack and buffer, may be impacted by redox conditions. Given this importance, this report summarizes some key topics for future technical studies supporting site characterization and repository performance as follows: To fully test the conceptual models for system Eh, it will be necessary to measure and evaluate trace element and isotopic information of both coexisting groundwater and reactive minerals of candidate rocks. Because of importance of volatile species (e.g., O 2 , H 2 etc.) in redox reactions, and given the high total pressure of a repository located 500 to 1000 meter deep, laboratory investigations of redox will necessarily require use of pressurized test devices that can fully simulate repository conditions. The stability (redox capacity) of the repository system with respect to potential changes in redox boundary condition induced by oxidizing waters intrusion should be established experimentally. An overall conceptual model that unifies

  5. A Histopathological Study of Direct Pulp Capping with Adhesive Resins

    Directory of Open Access Journals (Sweden)

    J. Salhenejad

    2004-12-01

    Full Text Available Statement of Problem: Recently, it has been proposed that different adhesive materials can be used for direct pulp capping. Previous studies have demonstrated that multi steps dentin adhesives could form reparative dentin similar to calcium hydroxide (CH.Purpose: The aim of this study was to evaluate the histological pulp response of ninety mechanically exposed cat pulps to two adhesive resins (Scotch Bond MP and Single Bond 3M were compared with a calcium hydroxide cement (Dycal, Dentsply.Materials and Methods : Class V facial cavities with similar pulpal exposures were prepared in canines. In the experimental groups phosphoric acid was used to etch the enamel and dentin and pulp exposure, and after it dentin adhesives was applied. The exposure point of the control group was capped with Dycal then the remainder of the cavities was etched and a dentin adhesive (single bond was applied. All of the cavities were restored with a composite resin (Z 100 in usual manner. The animals were scarified after 7, 30 and 60 days (n=30, and the pulp evaluated histologically, statistical analysis was carried out with Kruskal- Wallis test (a=0.05.Results: The data showed that most of the cases had mild inflammation of pulp tissue.There was no significant difference in inflammatory reaction of pulp by Dycal and two adhesive systems, severe inflammatory reaction of pulp was observed only in most of the 30- day Single Bond group. Soft tissue organization of dentin bridge was less than ScotchBond and Dycal groups, the differentiation of dentin bridge was less than Scotch Bond group after 7 days.Conclusion: Slight inflammatory cell infiltration was the main reaction of exposed pulp when two commercially available adhesive resins were placed directly on the exposed pulp.There was no significant difference in inflammatory reaction of pulp between Dycal and two adhesive systems after 7 days and 60 days. After 7 days most of the specimens showed an amount of predentin

  6. An investigation of the effect of pore scale flow on average geochemical reaction rates using direct numerical simulation

    Energy Technology Data Exchange (ETDEWEB)

    Molins, Sergi [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Division; Trebotich, David [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division; Steefel, Carl I. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Division; Shen, Chaopeng [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division

    2012-03-30

    The scale-dependence of geochemical reaction rates hinders their use in continuum scale models intended for the interpretation and prediction of chemical fate and transport in subsurface environments such as those considered for geologic sequestration of CO2. Processes that take place at the pore scale, especially those involving mass transport limitations to reactive surfaces, may contribute to the discrepancy commonly observed between laboratory-determined and continuum-scale or field rates. In this study we investigate the dependence of mineral dissolution rates on the pore structure of the porous media by means of pore scale modeling of flow and multicomponent reactive transport. The pore scale model is composed of high-performance simulation tools and algorithms for incompressible flow and conservative transport combined with a general-purpose multicomponent geochemical reaction code. The model performs direct numerical simulation of reactive transport based on an operator-splitting approach to coupling transport and reactions. The approach is validated with a Poiseuille flow single-pore experiment and verified with an equivalent 1-D continuum-scale model of a capillary tube packed with calcite spheres. Using the case of calcite dissolution as an example, the high-resolution model is used to demonstrate that nonuniformity in the flow field at the pore scale has the effect of decreasing the overall reactivity of the system, even when systems with identical reactive surface area are considered. In conclusion, the effect becomes more pronounced as the heterogeneity of the reactive grain packing increases, particularly where the flow slows sufficiently such that the solution approaches equilibrium locally and the average rate becomes transport-limited.

  7. Future directions for high-spin studies

    International Nuclear Information System (INIS)

    Stephens, F.S.

    1982-11-01

    Some future directions for experimental high-spin studies are discussed, concentrating mainly on the region above I -- 30h, where the γ-ray spectra are currently unresolvable. The 4π NaI balls offer a means to exploit the temperature effects recently shown to exist in such spectra. Large arrays of Compton-suppressed Ge detectors, on the other and, lead to higher effective resolution as it becomes possible to study triple and quadruple coincident events

  8. Fabrication of a Schottky junction diode with direct growth graphene on silicon by a solid phase reaction

    International Nuclear Information System (INIS)

    Kalita, Golap; Hirano, Ryo; Ayhan, Muhammed E; Tanemura, Masaki

    2013-01-01

    We demonstrate fabrication of a Schottky junction diode with direct growth graphene on n-Si by the solid phase reaction approach. Metal-assisted crystallization of a-C thin film was performed to synthesize transfer-free graphene directly on a SiO 2 patterned n-Si substrate. Graphene formation at the substrate and catalyst layer interface is achieved in presence of a Co catalytic and CoO carbon diffusion barrier layer. The as-synthesized material shows a linear current–voltage characteristic confirming the metallic behaviour of the graphene structure. The direct grown graphene on n-Si substrate creates a Schottky junction with a potential barrier of 0.44 eV and rectification diode characteristic. Our finding shows that the directly synthesized graphene on Si substrate by a solid phase reaction process can be a promising technique to fabricate an efficient Schottky junction device. (paper)

  9. Trojan Horse Method for neutrons-induced reaction studies

    Science.gov (United States)

    Gulino, M.; Asfin Collaboration

    2017-09-01

    Neutron-induced reactions play an important role in nuclear astrophysics in several scenario, such as primordial Big Bang Nucleosynthesis, Inhomogeneous Big Bang Nucleosynthesis, heavy-element production during the weak component of the s-process, explosive stellar nucleosynthesis. To overcome the experimental problems arising from the production of a neutron beam, the possibility to use the Trojan Horse Method to study neutron-induced reactions has been investigated. The application is of particular interest for reactions involving radioactive nuclei having short lifetime.

  10. A study of the photocatalytic effects of aqueous suspensions of platinized semiconductor materials on the reaction rates of candidate redox reactions

    Science.gov (United States)

    Miles, A. M.

    1982-01-01

    The effectiveness of powdered semiconductor materials in photocatalyzing candidate redox reactions was investigated. The rate of the photocatalyzed oxidation of cyanide at platinized TiO2 was studied. The extent of the cyanide reaction was followed directly using an electroanalytical method (i.e. differential pulse polarography). Experiments were performed in natural or artificial light. A comparison was made of kinetic data obtained for photocatalysis at platinized powders with rate data for nonplatinized powders.

  11. Direct Measurements of Half-Cycle Reaction Heats during Atomic Layer Deposition by Calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Lownsbury, James M. [Department; Gladden, James A. [Department; Campbell, Charles T. [Department; Department; Kim, In Soo [Materials; Martinson, Alex B. F. [Materials

    2017-10-05

    We introduce a new high-temperature adsorption calorimeter that approaches the ideal limit of a heat detector whereby the signal at any time is proportional to the heat power being delivered to the sample and prove its sensitivity for measuring pulse-to-pulse heats of half-reactions during atomic layer deposition (ALD) at 400 K. The heat dynamics of amorphous Al2O3 growth via sequential self-limiting surface reaction of trimethylaluminum (TMA) and H2O is clearly resolved. Calibration enables quantitation of the exothermic TMA and H2O half-reactions with high precision, -343 kJ/mol TMA and -251 kJ/mol H2O, respectively. A time resolution better than 1 ms is demonstrated, allowing for the deconvolution of at least two distinct surface reactions during TMA microdosing. It is further demonstrated that this method can provide the heat of reaction versus extent of reaction during each precursors half-reaction, thus providing even richer mechanistic information on the surface processes involved. The broad applicability of this novel calorimeter is demonstrated through excellent signal-to-noise ratios of less exothermic ALD half-reactions to produce TiO2 and MnO.

  12. 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

  13. 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.

  14. Insight into organic reactions from the direct random phase approximation and its corrections

    Energy Technology Data Exchange (ETDEWEB)

    Ruzsinszky, Adrienn [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Zhang, Igor Ying; Scheffler, Matthias [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin (Germany)

    2015-10-14

    The performance of the random phase approximation (RPA) and beyond-RPA approximations for the treatment of electron correlation is benchmarked on three different molecular test sets. The test sets are chosen to represent three typical sources of error which can contribute to the failure of most density functional approximations in chemical reactions. The first test set (atomization and n-homodesmotic reactions) offers a gradually increasing balance of error from the chemical environment. The second test set (Diels-Alder reaction cycloaddition = DARC) reflects more the effect of weak dispersion interactions in chemical reactions. Finally, the third test set (self-interaction error 11 = SIE11) represents reactions which are exposed to noticeable self-interaction errors. This work seeks to answer whether any one of the many-body approximations considered here successfully addresses all these challenges.

  15. Insight into organic reactions from the direct random phase approximation and its corrections

    International Nuclear Information System (INIS)

    Ruzsinszky, Adrienn; Zhang, Igor Ying; Scheffler, Matthias

    2015-01-01

    The performance of the random phase approximation (RPA) and beyond-RPA approximations for the treatment of electron correlation is benchmarked on three different molecular test sets. The test sets are chosen to represent three typical sources of error which can contribute to the failure of most density functional approximations in chemical reactions. The first test set (atomization and n-homodesmotic reactions) offers a gradually increasing balance of error from the chemical environment. The second test set (Diels-Alder reaction cycloaddition = DARC) reflects more the effect of weak dispersion interactions in chemical reactions. Finally, the third test set (self-interaction error 11 = SIE11) represents reactions which are exposed to noticeable self-interaction errors. This work seeks to answer whether any one of the many-body approximations considered here successfully addresses all these challenges

  16. Quid-Induced Lichenoid Reactions: A Prevalence Study

    OpenAIRE

    Vishal Dang; Madhav Nagpal

    2011-01-01

    White lesions of the oral mucosa are of concern to the dental surgeon in view of the fact that some of these may be potentially malignant. Oral lichen plane: (OLP) and oral lichenoid reactions (OLR) share similar clinical appearances but need to be carefully distinguished because of their different etiologies and clinical behaviour. This study screened 5.017 population, in a house-to-house field survey, for tobacco use and investigated the prevalence of oral lichenoid reactions in the 98 quid...

  17. 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

  18. Studies of complex fragment emission in heavy ion reactions

    International Nuclear Information System (INIS)

    Charity, R.J.; Sobotka, L.G.

    1993-01-01

    The study of intermediate-energy heavy-ion nuclear reactions is reported. This work has two foci: the properties of nuclear matter under abnormal conditions, in this energy domain, predominately low densities and the study of the relevant reaction mechanisms. Nuclear matter properties, such as phase transitions, are reflected in the dynamics of the reactions. The process leads to an understanding of the reaction mechanism themselves and therefore to the response characteristics of finite, perhaps non-equilibrium, strongly interacting systems. The program has the following objectives: to study energy, mass, and angular momentum deposition by studying incomplete fusion reactions; to gain confidence in the understanding of how highly excited systems decompose by studying all emissions from the highly excited systems; to push these kinds of studies into the intermediate energy domain (where intermediate mass fragment emission is not improbable) with excitation function studies; and to learn about the dynamics of the decays using particle-particle correlations. The last effort focuses on simple systems, where definitive statements are possible. These avenues of research share a common theme, large complex fragment production. It is this feature, more than any other, which distinguishes the intermediate energy domain

  19. Quantum wave packet study of D+OF reaction

    International Nuclear Information System (INIS)

    Kurban, M.; Karabulut, E.; Tutuk, R.; Goektas, F.

    2010-01-01

    The quantum dynamics of the D+OF reaction on the adiabatic potential energy surface of the ground 1 3 A ' state has been studied by using a time-dependent quantum real wave packet method. The state-to-state and state-to-all reaction probabilities for total angular momentum J = 0 have been calculated. The probabilities for J > 0 have been calculated by J-shifting the J = 0 results by means of capture model. Then, the integral cross sections and initial state selected rate constants have been calculated. The initial state-selected reaction probabilities and reaction cross section show threshold but not manifest any resonances and the initial state selected rate constants are sensitive to the temperature.

  20. Amine-catalyzed direct aldol reactions of hydroxy- and dihydroxyacetone: biomimetic synthesis of carbohydrates.

    Science.gov (United States)

    Popik, Oskar; Pasternak-Suder, Monika; Leśniak, Katarzyna; Jawiczuk, Magdalena; Górecki, Marcin; Frelek, Jadwiga; Mlynarski, Jacek

    2014-06-20

    This article presents comprehensive studies on the application of primary, secondary, and tertiary amines as efficient organocatalysts for the de novo synthesis of ketoses and deoxyketoses. Mimicking the actions of aldolase enzymes, the synthesis of selected carbohydrates was accomplished in aqueous media by using proline- and serine-based organocatalysts. The presented methodology also provides direct access to unnatural L-carbohydrates from the (S)-glyceraldehyde precursor. Determination of the absolute configuration of all obtained sugars was feasible using a methodology consisting of concerted ECD and VCD spectroscopy.

  1. A Comparative Analysis of Polymerase Chain Reaction and Direct Fluorescent Antibody Test for Diagnosis of Genital Herpes.

    Science.gov (United States)

    Patwardhan, Vrushali; Bhalla, Preena; Rawat, Deepti; Garg, Vijay Kumar; Sardana, Kabir; Sethi, Sumit

    2017-01-01

    To compare laboratory tests that can simultaneously detect and type herpes simplex virus (HSV) directly from the genital ulcer specimens in clinically suspected cases of genital herpes. A study was conducted over 10 months and 44 adult male and female patients clinically suspected with genital herpes were recruited. Genital ulcer swab specimens were subjected to glycoprotein-G gene-based conventional polymerase chain reaction (PCR) and commercially available direct fluorescent antibody (DFA) test and the results were compared. PCR for HSV was positive in 82% (36/44) cases. DFA was positive in 68.2% (30/44) cases. There was 100% agreement between HSV types detected by DFA and PCR. The strength of agreement between the results was better in primary genital herpes than recurrent cases. PCR was found to be better in the detection of HSV in recurrent genital herpes patients. It is a better modality, especially when genital herpes clinically presents with ulcerative or crusted lesions, and is also a cheaper alternative as compared to DFA.

  2. An annular ionization detector for quasi-elastic and transfer reaction studies

    CERN Document Server

    Dinesh, B V; Nayak, B K; Biswas, D C; Saxena, A; Pant, L M; Sahu, P K; Choudhury, R K

    2000-01-01

    An annular ionization chamber detector has been developed to study quasi-elastic and transfer reactions in heavy-ion collisions at near-barrier and sub-barrier energies. The important feature of the detector is that it has a near 2 pi coverage in the azimuthal angle phi for the particles entering in the detector at a given theta direction. This feature makes the detector very useful for measurement of the differential cross-sections at backward angles with respect to the beam direction, involving low cross-section reaction channels. The split anode configuration of the detector makes it capable of both particle identification and energy measurement for heavy ions and fission fragments. The detector has been tested using heavy-ion beams from the 14 MV-pelletron accelerator at Mumbai. Results on quasi-elastic excitation function measurements and barrier distribution studies in many heavy-ion reactions using this detector setup are discussed.

  3. Direct Energy Supply to the Reaction Mixture during Microwave-Assisted Hydrothermal and Combustion Synthesis of Inorganic Materials

    Directory of Open Access Journals (Sweden)

    Roberto Rosa

    2014-05-01

    Full Text Available The use of microwaves to perform inorganic synthesis allows the direct transfer of electromagnetic energy inside the reaction mixture, independently of the temperature manifested therein. The conversion of microwave (MW radiation into heat is useful in overcoming the activation energy barriers associated with chemical transformations, but the use of microwaves can be further extended to higher temperatures, thus creating unusual high-energy environments. In devising synthetic methodologies to engineered nanomaterials, hydrothermal synthesis and solution combustion synthesis can be used as reference systems to illustrate effects related to microwave irradiation. In the first case, energy is transferred to the entire reaction volume, causing a homogeneous temperature rise within a closed vessel in a few minutes, hence assuring uniform crystal growth at the nanometer scale. In the second case, strong exothermic combustion syntheses can benefit from the application of microwaves to convey energy to the reaction not only during the ignition step, but also while it is occurring and even after its completion. In both approaches, however, the direct interaction of microwaves with the reaction mixture can lead to practically gradient-less heating profiles, on the basis of which the main observed characteristics and properties of the aforementioned reactions and products can be explained.

  4. Reaction studies of hot silicon, germanium and carbon atoms

    International Nuclear Information System (INIS)

    Gaspar, P.P.

    1990-01-01

    The goal of this project was to increase the authors understanding of the interplay between the kinetic and electronic energy of free atoms and their chemical reactivity by answering the following questions: (1) what is the chemistry of high-energy carbon silicon and germanium atoms recoiling from nuclear transformations; (2) how do the reactions of recoiling carbon, silicon and germanium atoms take place - what are the operative reaction mechanisms; (3) how does the reactivity of free carbon, silicon and germanium atoms vary with energy and electronic state, and what are the differences in the chemistry of these three isoelectronic atoms? This research program consisted of a coordinated set of experiments capable of achieving these goals by defining the structures, the kinetic and internal energy, and the charge states of the intermediates formed in the gas-phase reactions of recoiling silicon and germanium atoms with silane, germane, and unsaturated organic molecules, and of recoiling carbon atoms with aromatic molecules. The reactions of high energy silicon, germanium, and carbon atoms created by nuclear recoil were studied with substrates chosen so that their products illuminated the mechanism of the recoil reactions. Information about the energy and electronic state of the recoiling atoms at reaction was obtained from the variation in end product yields and the extent of decomposition and rearrangement of primary products (usually reactive intermediates) as a function of total pressure and the concentration of inert moderator molecules that remove kinetic energy from the recoiling atoms and can induce transitions between electronic spin states. 29 refs

  5. Studies of complex fragment emission in heavy ion reactions

    International Nuclear Information System (INIS)

    Charity, R.J.; Sobotka, L.G.

    1992-01-01

    Our work involves the study of intermediate energy heavy-ion nuclear reactions. This work has two foci. On the one hand, we desire to learn about the properties of nuclear matter under abnormal conditions, in this energy domain, predominately low densities. This purpose runs abreast of the second, which is the study of the relevant reaction mechanisms. The two objectives are inexorably linked because our experimental laboratory for studying nuclear matter properties is a dynamic one. We are forced to ask how nuclear matter properties, such as phase transitions, are reflected in the dynamics of the reactions. It may be that irrefutable information about nuclear matter will not be extracted from the reaction work. Nevertheless, we are compelled to undertake this effort not only because it is the only game in town and as yet we do not know that information cannot be extracted, but also because of our second objective. The process leads to an understanding of the reaction mechanism themselves and therefore to the response characteristics of finite, perhaps non-equilibrium, strongly interacting systems. Our program has been: To study energy, mass, and angular momentum deposition by studying incomplete fusion reactions. To gain confidence that we understand how highly excited systems decompose by studying all emissions from the highly excited systems. To push these kinds of studies into the intermediate energy domain, with excitation function studies. And attempt to learn about the dynamics of the decays using particle-particle correlations. In the last effort, we have decided to focus on simple systems, where we believe, definitive statements are possible. These avenues of research share a common theme, large complex fragment production

  6. Direct Enantioselective Reaction between Hemiacetals and Phosphorus Ylides: Important Role of a By-Product in the Asymmetric Transformation.

    Science.gov (United States)

    Wang, Rui; Wang, Linqing; Yang, Dongxu; Li, Dan; Liu, Xihong; Wang, Pengxin; Wang, Kezhou; Zhu, Haiyong; Bai, Lutao

    2018-05-16

    By employing a simple in-situ generated magnesium catalyst, the direct asymmetric reaction between hemiacetals and P-ylides is achieved via a tandem Wittig-oxa-Michael reaction sequence. Enantioenriched chromans, isochromans and tetrahydropyrans can be obtained in good chemical yields. (-)-Erythrococcamide B can be asymmetrically synthesized through this synthetic technique. In this work, the by-product, TPO, was identified as a necessary additive in this asymmetric synthetic method. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Directed surfaces structures and interfaces for enhanced electrocatalyst activity, selectivity, and stability for energy conversion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Jaramillo, Thomas F. [Stanford Univ., CA (United States). Dept. of Chemical Engineering. Shriram Center

    2016-04-20

    In this project, we have employed a systematic approach to develop active, selective, and stable catalyst materials for important electrochemical reactions involving energy conversion. In particular, we have focused our attention on developing active catalyst materials for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER) and oxygen reduction reaction (ORR). HER: We have synthesized and investigated several highly active and acid stable non-precious metal HER catalysts, including: [Mo3S13]2- nanoclusters (Nature Chemistry, 2014) and molybdenum phosphosulfide (MoP|S) (Angewandte Chemie, 2014). We have also aimed to engineer these catalyst formulations in a membrane electrode assembly (MEA) for fundamental studies of water electrolysis at high current densities, approximately 1 A/cm2 (ChemSusChem, 2015). We furthermore investigated transition metal phosphide (TMP) catalysts for HER by a combined experimental–theoretical approach (Energy & Environmental Science, 2015). By synthesizing different TMPs and comparing experimentally determined HER activities with the hydrogen adsorption free energies, ΔGH, calculated by density functional theory, we showed that the TMPs follow a volcano relationship for the HER. Using our combined experimental–theoretical model, we predicted that the mixed metal TMP, Fe0.5Co0.5P, should have a near-optimal ΔGH. We synthesized several mixtures of Co and Fe phosphides alloys and confirmed that Fe0.5Co0.5P exhibits the highest HER activity of the investigated TMPs (Energy & Environmental Science, 2015). The understanding gained as to how to improve catalytic activity for the HER, particularly for non-precious metal materials, is important to DOE targets for sustainable H2 production. OER: We have developed a SrIrO3/IrOx catalyst for acidic conditions (submitted, 2016). The Sr

  8. Ejection of Coulomb Crystals from a Linear Paul Ion Trap for Ion-Molecule Reaction Studies.

    Science.gov (United States)

    Meyer, K A E; Pollum, L L; Petralia, L S; Tauschinsky, A; Rennick, C J; Softley, T P; Heazlewood, B R

    2015-12-17

    Coulomb crystals are being increasingly employed as a highly localized source of cold ions for the study of ion-molecule chemical reactions. To extend the scope of reactions that can be studied in Coulomb crystals-from simple reactions involving laser-cooled atomic ions, to more complex systems where molecular reactants give rise to multiple product channels-sensitive product detection methodologies are required. The use of a digital ion trap (DIT) and a new damped cosine trap (DCT) are described, which facilitate the ejection of Coulomb-crystallized ions onto an external detector for the recording of time-of-flight (TOF) mass spectra. This enables the examination of reaction dynamics and kinetics between Coulomb-crystallized ions and neutral molecules: ionic products are typically cotrapped, thus ejecting the crystal onto an external detector reveals the masses, identities, and quantities of all ionic species at a selected point in the reaction. Two reaction systems are examined: the reaction of Ca(+) with deuterated isotopologues of water, and the charge exchange between cotrapped Xe(+) with deuterated isotopologues of ammonia. These reactions are examples of two distinct types of experiment, the first involving direct reaction of the laser-cooled ions, and the second involving reaction of sympathetically-cooled heavy ions to form a mixture of light product ions. Extensive simulations are conducted to interpret experimental results and calculate optimal operating parameters, facilitating a comparison between the DIT and DCT approaches. The simulations also demonstrate a correlation between crystal shape and image shape on the detector, suggesting a possible means for determining crystal geometry for nonfluorescing ions.

  9. Direct conversion from Jerusalem artichoke to hydroxymethylfurfural (HMF) using the Fenton reaction.

    Science.gov (United States)

    Seo, Yeong Hwan; Han, Jong-In

    2014-05-15

    A simple method for hydroxymethylfurfural (HMF) production from non-crop biomass of the Jerusalem artichoke was developed using the Fenton reaction, in a mixture of 2-butanol and water. Four parameters (temperature, reaction time, Fe(2+) concentration, and H2O2 concentration) were identified as experimental factors, and HMF yield was selected as the response parameter. The experimental factors were optimised by employing Response Surface Methodology (RSM). The maximum HMF yield, of 46%, was obtained with a reaction time of 90 min, Fe(2+) concentration of 1.3 mM, and 0.47 M of H2O2 at 180 °C. Copyright © 2014. Published by Elsevier Ltd.

  10. Directing Reaction Pathways through Controlled Reactant Binding at Pd-TiO2 Interfaces.

    Science.gov (United States)

    Zhang, Jing; Wang, Bingwen; Nikolla, Eranda; Medlin, J Will

    2017-06-01

    Recent efforts to design selective catalysts for multi-step reactions, such as hydrodeoxygenation (HDO), have emphasized the preparation of active sites at the interface between two materials having different properties. However, achieving precise control over interfacial properties, and thus reaction selectivity, has remained a challenge. Here, we encapsulated Pd nanoparticles (NPs) with TiO 2 films of regulated porosity to gain a new level of control over catalyst performance, resulting in essentially 100 % HDO selectivity for two biomass-derived alcohols. This catalyst also showed exceptional reaction specificity in HDO of furfural and m-cresol. In addition to improving HDO activity by maximizing the interfacial contact between the metal and metal oxide sites, encapsulation by the nanoporous oxide film provided a significant selectivity boost by restricting the accessible conformations of aromatics on the surface. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Hantzsch Reaction Starting Directly from Alcohols through a Tandem Oxidation Process

    Directory of Open Access Journals (Sweden)

    Xiaobing Liu

    2017-01-01

    Full Text Available A Brønsted acidic ionic liquid, 3-(N,N-dimethyldodecylammonium propanesulfonic acid hydrogen sulphate ([DDPA][HSO4], has been successfully applied to catalyze sequential oxidation of aromatic alcohols with NaNO3 followed by their condensation with dicarbonyl compound and ammonium acetate. The corresponding pyridine analogues of Hantzsch 1,4-dihydropyridines could be obtained as a major product with high yields by the multicomponent reaction. The present work utilizing alcohols instead of aldehyde in Hantzsch reaction is a valid and green alternative to the classical synthesis of the corresponding pyridine analogues of Hantzsch 1,4-dihydropyridines.

  12. Halo scraper/direct converter system study

    International Nuclear Information System (INIS)

    Luzzi, T.; Clarkson, I.; Barr, W.; Neef, W.

    1985-01-01

    During the first year of the LLNL Minimars program, a system study was undertaken to determine the most efficient method for recovery of the end cell thermal energy. The goal of the study was to recovery energy at the highest possible coolant temperature and therefore at the highest thermal efficiency. Two types of coolant were considered, water and gaseous helium. In a system study where the goal is to recover maximum thermal power in an economically designed device, it is necessary to place constraints on the design. The four constraints for the direct converter are somewhat conflicting in that a particularly design solution satisfying one may lead to an unacceptable solution for another. The final design choice must be a compromise that satisfies all the constraints

  13. Palladium-based electrocatalysts for ethanol oxidation reaction in alkaline direct ethanol fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Moraes, Leticia Poras Reis de; Amico, Sandro Campos; Malfatti, Celia de Fraga, E-mail: leticiamoraes@usp.br [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre (Brazil); Matos, Bruno R.; Santiago, Elisabete Inacio; Fonseca, Fabio Coral [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2016-07-01

    Full text: Direct ethanol fuel cells require adequate electrocatalysts to promote the carbon carbon cleavage of ethanol molecule. Typical electrocatalysts are based on platinum, which have shown improved activity in acidic media. However, Pt-based catalysts have high cost and are easily deactivated by CO poisoning. Therefore, novel catalysts have been developed, and among then, palladium-based materials have shown promising results for the oxidation of ethanol in alkaline media. The present study reports on the performance of alkaline direct ethanol fuel cell (ADEFC) by using carbon-supported Pd, PdSn, PdNi, and PdNiSn produced by impregnation-reduction of the metallic precursors. The effect of chemical functionalization by acid treatment of the carbon support (Vulcan) was investigated. The electrocatalysts were studied by thermogravimetric analysis (TGA), X-rays diffraction (XRD), transmission electron microscopy (TEM), cyclic voltammetry (CV), and ADEFC tests. TGA measurements of functionalized Vulcan evidenced the characteristic weight losses attributed to the presence of surface functional groups due to the acid treatment. A high degree of alloying between Pd and Sn was inferred from XRD data, whereas in both PdNi and PdNiSn, Ni occurs mostly segregated in the oxide form. TEM analyses indicated agglomeration of Pd and PdSn particles, whereas a more uniform particle distribution was observed for PdNi and PdNiSn samples. CV curves showed that the peak potential for the oxidation of ethanol shifts towards negative values for all samples supported on functionalized Vulcan indicating that ethanol oxidation is facilitated. Microstructural and electrochemical features were confirmed by ADEFC tests, which revealed that the highest open circuit voltage and maximum power density were achieved for PdNiSn electrocatalysts supported on functionalized Vulcan with uniform particle distribution and improved triple phase boundaries. (author)

  14. Palladium-based electrocatalysts for ethanol oxidation reaction in alkaline direct ethanol fuel cell

    International Nuclear Information System (INIS)

    Moraes, Leticia Poras Reis de; Amico, Sandro Campos; Malfatti, Celia de Fraga; Matos, Bruno R.; Santiago, Elisabete Inacio; Fonseca, Fabio Coral

    2016-01-01

    Full text: Direct ethanol fuel cells require adequate electrocatalysts to promote the carbon carbon cleavage of ethanol molecule. Typical electrocatalysts are based on platinum, which have shown improved activity in acidic media. However, Pt-based catalysts have high cost and are easily deactivated by CO poisoning. Therefore, novel catalysts have been developed, and among then, palladium-based materials have shown promising results for the oxidation of ethanol in alkaline media. The present study reports on the performance of alkaline direct ethanol fuel cell (ADEFC) by using carbon-supported Pd, PdSn, PdNi, and PdNiSn produced by impregnation-reduction of the metallic precursors. The effect of chemical functionalization by acid treatment of the carbon support (Vulcan) was investigated. The electrocatalysts were studied by thermogravimetric analysis (TGA), X-rays diffraction (XRD), transmission electron microscopy (TEM), cyclic voltammetry (CV), and ADEFC tests. TGA measurements of functionalized Vulcan evidenced the characteristic weight losses attributed to the presence of surface functional groups due to the acid treatment. A high degree of alloying between Pd and Sn was inferred from XRD data, whereas in both PdNi and PdNiSn, Ni occurs mostly segregated in the oxide form. TEM analyses indicated agglomeration of Pd and PdSn particles, whereas a more uniform particle distribution was observed for PdNi and PdNiSn samples. CV curves showed that the peak potential for the oxidation of ethanol shifts towards negative values for all samples supported on functionalized Vulcan indicating that ethanol oxidation is facilitated. Microstructural and electrochemical features were confirmed by ADEFC tests, which revealed that the highest open circuit voltage and maximum power density were achieved for PdNiSn electrocatalysts supported on functionalized Vulcan with uniform particle distribution and improved triple phase boundaries. (author)

  15. Studies of complex fragment emission in heavy ion reactions

    International Nuclear Information System (INIS)

    Sobotka, L.G.

    1989-01-01

    The production of large fragments, fragments with mass between light particles and fission fragments, in intermediate and high energy nuclear reactions has fostered the proposal of a number of novel reaction mechanisms. These include liquid-vapor equilibrium and nuclear shattering. Temporarily left in the wake of these exciting proposed mechanisms was the old standard, statistical decay of compound nuclei. To be sure, the standard treatment of compound nucleus decay did not deal with large fragment production. However, this omission was not due to any fundamental deficiency of statistical models, but rather an uncertainty concerning exactly how to splice large fragment emission into statistical models. A large portion of our program deals with this problem. Specifically, by studying the yields of large fragments produced in sufficiently low energy reactions we are attempting to deduce the asymmetry and l-wave dependence of large fragment emission from compound nuclear intermediates. This, however, is only half of the problem. Since the novel mechanisms proposed for large fragment emission were spawned by intermediate and high energy reaction data, we must also realize the relevance of the compound nucleus mechanisms at high energies. It is not unreasonable to suspect that compound nucleus-like objects are formed with less than complete momentum transfer and perhaps less than complete mass transfer. Therefore the study of energy, mass, and angular momentum transfer in incomplete fusion and non-compound reactions. This thread joins the apparently divergent subjects covered in this report

  16. Singlet oxygen reactions with flavonoids. A theoretical-experimental study.

    Science.gov (United States)

    Morales, Javier; Günther, Germán; Zanocco, Antonio L; Lemp, Else

    2012-01-01

    Detection of singlet oxygen emission, λ(max) = 1270 nm, following laser excitation and steady-state methods were employed to measure the total reaction rate constant, k(T), and the reactive reaction rate constant, k(r), for the reaction between singlet oxygen and several flavonoids. Values of k(T) determined in deuterated water, ranging from 2.4×10(7) M(-1) s(-1) to 13.4×10(7) M(-1) s(-1), for rutin and morin, respectively, and the values measured for k(r), ranging from 2.8×10(5) M(-1) s(-1) to 65.7×10(5) M(-1) s(-1) for kaempferol and morin, respectively, being epicatechin and catechin chemically unreactive. These results indicate that all the studied flavonoids are good quenchers of singlet oxygen and could be valuable antioxidants in systems under oxidative stress, in particular if a flavonoid-rich diet was previously consumed. Analysis of the dependence of rate constant values with molecular structure in terms of global descriptors and condensed Fukui functions, resulting from electronic structure calculations, supports the formation of a charge transfer exciplex in all studied reactions. The fraction of exciplex giving reaction products evolves through a hydroperoxide and/or an endoperoxide intermediate produced by singlet oxygen attack on the double bond of the ring C of the flavonoid.

  17. Singlet Oxygen Reactions with Flavonoids. A Theoretical – Experimental Study

    Science.gov (United States)

    Morales, Javier; Günther, Germán; Zanocco, Antonio L.; Lemp, Else

    2012-01-01

    Detection of singlet oxygen emission, λmax = 1270 nm, following laser excitation and steady-state methods were employed to measure the total reaction rate constant, kT, and the reactive reaction rate constant, kr, for the reaction between singlet oxygen and several flavonoids. Values of kT determined in deuterated water, ranging from 2.4×107 M−1s−1 to 13.4×107 M−1s−1, for rutin and morin, respectively, and the values measured for kr, ranging from 2.8×105 M−1s−1 to 65.7×105 M−1s−1 for kaempferol and morin, respectively, being epicatechin and catechin chemically unreactive. These results indicate that all the studied flavonoids are good quenchers of singlet oxygen and could be valuable antioxidants in systems under oxidative stress, in particular if a flavonoid-rich diet was previously consumed. Analysis of the dependence of rate constant values with molecular structure in terms of global descriptors and condensed Fukui functions, resulting from electronic structure calculations, supports the formation of a charge transfer exciplex in all studied reactions. The fraction of exciplex giving reaction products evolves through a hydroperoxide and/or an endoperoxide intermediate produced by singlet oxygen attack on the double bond of the ring C of the flavonoid. PMID:22802966

  18. Singlet oxygen reactions with flavonoids. A theoretical-experimental study.

    Directory of Open Access Journals (Sweden)

    Javier Morales

    Full Text Available Detection of singlet oxygen emission, λ(max = 1270 nm, following laser excitation and steady-state methods were employed to measure the total reaction rate constant, k(T, and the reactive reaction rate constant, k(r, for the reaction between singlet oxygen and several flavonoids. Values of k(T determined in deuterated water, ranging from 2.4×10(7 M(-1 s(-1 to 13.4×10(7 M(-1 s(-1, for rutin and morin, respectively, and the values measured for k(r, ranging from 2.8×10(5 M(-1 s(-1 to 65.7×10(5 M(-1 s(-1 for kaempferol and morin, respectively, being epicatechin and catechin chemically unreactive. These results indicate that all the studied flavonoids are good quenchers of singlet oxygen and could be valuable antioxidants in systems under oxidative stress, in particular if a flavonoid-rich diet was previously consumed. Analysis of the dependence of rate constant values with molecular structure in terms of global descriptors and condensed Fukui functions, resulting from electronic structure calculations, supports the formation of a charge transfer exciplex in all studied reactions. The fraction of exciplex giving reaction products evolves through a hydroperoxide and/or an endoperoxide intermediate produced by singlet oxygen attack on the double bond of the ring C of the flavonoid.

  19. Organometallic Reactions Development, Mechanistic Studies and Synthetic Applications

    DEFF Research Database (Denmark)

    Dam, Johan Hygum

    of the successful total synthesis of the cyclophane cavicularin, which contains a bent aromatic moiety. The pivotal step in the synthesis embodied a pyrone-alkyne Diels-Alder cycloaddition with CO2-extrusion to deliver the bent aromatic residue. The fourth project involved further development of the conditions...... previously discovered in the Madsen group for the direct coupling of alcohols and amines to amides under dihydrogen liberation. The goal was to synthesize isolatable ruthenium catalysts and two 18-electron complexes capable of performing the reaction in excellent yields were prepared and characterized...

  20. Study of the {sup 17}O(n,α){sup 14}C reaction: Extension of the Trojan Horse Method to neutron induced reactions

    Energy Technology Data Exchange (ETDEWEB)

    Guardo, G. L.; Lamia, L.; Spitaleri, C.; Cherubini, S.; Rapisarda, G. G.; Sergi, M. L. [INFN - Laboratori Nazionali del Sud, Catania, Italy and Department of Physics and Astronomy, University of Catania, Catania (Italy); Gulino, M. [INFN - Laboratori Nazionali del Sud, Catania, Italy and University of Enna (Italy); Tang, X. D.; Bucher, B.; Couder, M.; Davies, P.; Boer, R. de; Fang, X.; Lamm, L.; Ma, C.; Notani, M.; OBrien, S.; Roberson, D.; Tan, W.; Wiescher, M. [Department of Physics and Joint Institute for Nuclear Astrophysics, University of Notre Dame, IN (United States); and others

    2014-05-02

    The experimental study of the {sup 17}O(n,α){sup 14}C reaction has been performed in the energy range 0-350 keV. This reaction could play an important role in explaining heavy elements (s-process) nucleosynthesis in various astrophysical scenario. To overcome the practical problems arising from the neutrons production, a new application of the Trojan Horse Method has been recently suggested. In more details, the {sup 17}O(n,α){sup 14}C reaction has been studied using the quasi-free {sup 2}H({sup 17}O,α{sup 14}C){sup 1}H reaction, induced at an energy of 43.5 MeV. The measurement allows one to investigate the ℓ=3, 75 keV resonance (E*=8.125 MeV, J{sup π}=5{sup −}), absent in the available direct measurements because of centrifugal suppression effects.

  1. Study of the 17O(n,α)14C reaction: Extension of the Trojan Horse Method to neutron induced reactions

    International Nuclear Information System (INIS)

    Guardo, G. L.; Lamia, L.; Spitaleri, C.; Cherubini, S.; Rapisarda, G. G.; Sergi, M. L.; Gulino, M.; Tang, X. D.; Bucher, B.; Couder, M.; Davies, P.; Boer, R. de; Fang, X.; Lamm, L.; Ma, C.; Notani, M.; OBrien, S.; Roberson, D.; Tan, W.; Wiescher, M.

    2014-01-01

    The experimental study of the 17 O(n,α) 14 C reaction has been performed in the energy range 0-350 keV. This reaction could play an important role in explaining heavy elements (s-process) nucleosynthesis in various astrophysical scenario. To overcome the practical problems arising from the neutrons production, a new application of the Trojan Horse Method has been recently suggested. In more details, the 17 O(n,α) 14 C reaction has been studied using the quasi-free 2 H( 17 O,α 14 C) 1 H reaction, induced at an energy of 43.5 MeV. The measurement allows one to investigate the ℓ=3, 75 keV resonance (E*=8.125 MeV, J π =5 − ), absent in the available direct measurements because of centrifugal suppression effects

  2. Study of reactions induced by the halo nucleus 11Li with the active target MAYA

    International Nuclear Information System (INIS)

    Roger, Th.

    2009-09-01

    Active targets are perfect tools for the study of nuclear reactions induced by very low intensity radioactive ion beams. They also enable the simultaneous study of direct and compound nuclear reactions. The active target MAYA, built at GANIL, has been used to study the reactions induced by a 4.3*A MeV 11 Li beam at the ISAC2 accelerator TRIUMF (Canada). The angular distributions for the elastic scattering and the one and two neutron transfer reaction have been reconstructed. The elastic scattering angular distribution indicates a strong enhancement of the flux absorption with respect to the neighbouring nuclei. From a coupled channel analysis of the two neutron transfer reaction for different three body models, the information on the structure of the halo of the Borromean nucleus 11 Li have been extracted. Meanwhile, the energy dependence of the elastic scattering reaction has been studied, using the active target MAYA as a thick target. The resulting spectrum shows a resonance around 3 MeV centre of mass. This resonance could be an isobaric analog state of 12 Li, observed in 12 Be. R matrix calculations have been performed in order to extract the parameters (spin and parity) of this state. (author)

  3. Studies of heavy-ion reactions and transuranic nuclei

    International Nuclear Information System (INIS)

    Schroeder, W.U.

    1993-08-01

    This report contain papers on the following topics: The Cold-Fusion Saga; Decay Patterns of Dysprosium Nuclei Produced in 32 S + 118,124 Sn Fusion Reactions; Unexpected Features of Reactions Between Very Heavy Ions at Intermediate Bombarding Energies; Correlations Between Neutrons and Charged Products from the Dissipative Reaction 197 Au+ 208 Pb at E/A = 29 MeV; Dissipative Dynamics of Projectile-Like Fragment Production in the Reaction 209 Bi+ 136 Xe at E/A = 28.2 MeV; Dynamical Production of Intermediate-Mass Fragments in Peripheral 209 Bi+ 136 Xe Collisions at E lab /A = 28.2 MeV; The Rochester 960-Liter Neutron Multiplicity Meter; A Simple Pulse Processing Concept for a Low-Cost Pulse-Shape-Based Particle Identification; A One-Transistor Preamplifier for PMT Anode Signals; A Five-Channel Multistop TDC/Event Handler for the SuperBall Neutron Multiplicity Meter; Construction of the SuperBall -- a 16,000-Liter Neutron Detector for Calorimetric Studies of Intermediate-Energy Heavy-Ion Reactions; A Computer Code for Light Detection Efficiency Calculations for Photo-multipliers of a Neutron Detector; Evaluation of Gd-Loaded Liquid Scintillators for the SuperBall Neutron Calorimeter; and Measurement of the Interaction of Cosmic-Ray μ - with a Muon Telescope

  4. KINETIC MODELS STUDY OF HYDRODESULPHURIZATION VACUUM DISTILLATE REACTION

    Directory of Open Access Journals (Sweden)

    AbdulMunem A. Karim

    2013-05-01

    Full Text Available    This study deals with  kinetics of hydrodesulphurization (HDS reaction of vacuum gas oil (611-833 K which was distillated from Kirkuk crude oil and which was obtained by blending the fractions, light vacuum gas oil (611 - 650 K, medium vacuum gas oil (650-690 K, heavy vacuum gas oil (690-727 K and very heavy vacuum gas oil (727-833 K.   The vacuum gas oil was hydrotreated on a commercial cobalt-molybdenum alumina catalyst presulfied at specified conditions in a laboratory trickle bed reactor. The reaction temperature range (583-643 K,liquid hourly space velocity range (1.5-3.75 h-1 and hydrogen pressure was kept constant at 3.5 MPa with hydrogen to oil ratio about 250 lt/lt.           The conversion results for desulphurization reaction appeared to obey the second order reaction. According to this model, the rate constants for desulphurization reaction were determined. Finally, the apparent activation energy (Ea, enthalpy of activation ( H* and entropy ( S* were calculated based on the values of rate constant (k2 and were equal 80.3792 KJ/mole, 75.2974 KJ/mole and 197.493 J/mole, respectively.

  5. Toluene pyrolysis studies and high temperature reactions of propargyl chloride

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  6. Experimental study of the role of nanoparticles in sodium–water reaction

    International Nuclear Information System (INIS)

    Park, Gunyeop; Kim, Soo Jae; Kim, Moo Hwan; Park, Hyun Sun

    2014-01-01

    Highlights: • We experimentally research the effect of nanoparticles in sodium–water reaction. • We present sodium–water reaction experiments and observed the mitigated reaction rate of sodium nanofluid. • We indicate nanoparticles settled on the surface of liquid sodium affect to mitigate chemical reactivity of sodium during sodium–water reaction. - Abstract: This paper presents an experimental study of the effect of Titanium (Ti) nanoparticles (NPs) on the mechanism of Sodium–Water chemical Reaction (SWR). Sodium–Titanium Nano Fluid (NaTiNF), i.e., liquid sodium that includes dispersed Ti NPs (≤100 nm) at 0.214 vol.% was produced. To simulate an accident in a sodium–water heat exchanger in a Sodium-cooled Fast Reactor, SWR was conducted by injecting liquid water directly onto the surface of liquid sodium. The reaction behavior of NaTiNF was quantitatively compared with that of bare sodium. Experiment results present that NaTiNF shows mitigated reactivity with water and lower reaction rate than bare sodium. These results imply that NPs dispersed in liquid sodium affect the mechanism of SWR

  7. Reaction pathways of the dissociation of methylal: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Frey, H -M; Beaud, P; Gerber, T; Mischler, B; Radi, P P; Tzannis, A -P [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    Schemata for modelling combustion processes do not yet include reaction rates for oxygenated fuels like methylal (DMM) which is considered as an additive or replacement for diesel due to its low sooting propensity. Density functional theory (DFT) studies of the possible reaction pathways for different dissociation steps of methylal are presented. Cleavage of a hydrogen bond to the methoxy group or the central carbon atom were simulated at the BLYP/6-311++G{sup **} level of theory. The results are compared to the experiment when dissociating and/or ionising DMM with femtosecond pulses. (author) 1 fig., 1 tab., 1 ref.

  8. Studying reaction products in a lithium thionyl chloride cell

    International Nuclear Information System (INIS)

    Vol'fkovich, Yu.M.; Sosenkin, V.E.; Nikol'skaya, N.F.; Blinov, I.A.

    1999-01-01

    Change in the mass, volume and chemical composition of reaction insoluble products (RIP) formed in the course of discharge of thionyl chloride lithium cells under different conditions has been studied by the methods of gravimetry, volumetry and element analysis. It has been ascertained that the measured volume and mass of RIP essentially (by a factor of 1.1-1.8) exceed the calculated values, proceeding from the reaction stoichiometry. Besides lithium chloride and sulfur during discharge additional RIP is formed as LiAlCl 4 · SOCl 2 solvate, its share increasing with temperature decrease, increase in current density and electrolyte concentration [ru

  9. Study on the Attitude Control of Spacecraft Using Reaction Wheels

    Directory of Open Access Journals (Sweden)

    Ju-Young Du

    1998-06-01

    Full Text Available Attitude determination and control of satellite is important component which determines the accomplish satellite missions. In this study, attitude control using reaction wheels and momentum dumping of wheels are considered. Attitude control law is designed by Sliding control and LQR. Attitude maneuver control law is obtained by Shooting method. Wheels momentum dumping control law is designed by Bang-Bang control. Four reaction wheels are configurated for minimized the electric power consumption. Wheels control torque and magnetic moment of magnetic torquer are limited.

  10. A study of butyl acetate synthesis. 4-reaction kinetics

    OpenAIRE

    Álvaro Orjuela Londoño; Fernando Leiva Lenis; Luis Alejandro Boyacá Mendivelso; Gerardo Rodríguez Niño; Luis María Carballo Suárez

    2006-01-01

    This work was aimed at studying liquid-phase acetic acid and butyl alcohol esterification reaction (P atm =0.76 Bar),using an ion exchange resin (Lewatit K-2431) as catalyst. The effect of the absence of internal and external mass transport on catalyst particles was established in the research conditions used here. A set of assays to determine the effect of catalyst load (0.5%, 1%, 2% w/w) temperature (73°C, 80°C, 87°C) and molar ratio (1:2, 1:1, 2:1 acid/alcohol) on reaction rate was carrie...

  11. Theoretical nuclear reaction and structure studies using hyperons and photons

    International Nuclear Information System (INIS)

    Cotanch, S.R.

    1991-01-01

    This report details research progress and results obtained during the 12 month period from January 1991 through 31 December 1991. The research project, entitled ''Theoretical Nuclear Reaction and Structure Studies Using Hyperons and Photons,'' is supported by grant DE-FG05-88ER40461 between North Carolina State University and the United States Department of Energy. In compliance with grant requirements the Principal Investigator, Professor Stephen R. Cotanch, has conducted a research program addressing theoretical investigations of reactions involving hyperons and photons. The new, significant research results are briefly summarized in the following sections

  12. Evaluation of the AGCU Expressmarker 16 and 22 PCR Amplification Kits Using Biological Samples Applied to FTA Micro Cards in Reduced Volume Direct PCR Amplification Reactions

    Directory of Open Access Journals (Sweden)

    Samantha J Ogden

    2015-01-01

    Full Text Available This study evaluated the performance of the  Wuxi AGCU ScienTech Incorporation (HuiShan, Wuxi, China AGCU Expressmarker 16 (EX 16 and 22 (EX22 short tandem repeat (STR amplification kits in reduced reaction volumes using direct polymerase chain reaction (PCR amplification workflows. The commercially available PowerPlex® 21 (PP21 System (Promega, Wisconsin, USA, which follows similar direct workflows, was used as a reference. Anticoagulate blood applied to chemically impregnated  FTA TM Micro Cards (GE Healthcare UK Limited, Amersham Place, Little Chalfont, Buckinghamshire, HP7 9NA, UK was used to represent a complex biological sample. Allelic concordance, first-pass success rate, average peak heights, heterozygous peak height ratios (HPHRs, and intracolor and intercolor peak height balance were determined. In reduced volume PCR reactions, the performances of both the EX16 and EX22 STR amplification kits were comparable to that of the PP21 System. The level of performance was maintained at PCR reaction volumes, which are 40% of that recommended. The EX22 and PP21 System kits possess comparable overlapping genome coverage. This study evaluated the performance of the AGCU EX16 and EX22 STR amplification kits in reduced PCR reaction volumes using direct workflows in combination with whole blood applied to FTA TM Micro Cards. Allelic concordance, first-pass success rate, average peak heights, HPHRs, and intracolor and intercolor peak height balance were determined. A concordance analysis was completed that compared the performance of the EX16 and EX22 kits using human blood applied to FTA Micro Cards in combination with full, half, and reduced PCR reaction volumes. The PP21 System (Promega was used as a reference kit. Where appropriate, the distributions of data were assessed using the Shapiro-Wilk test. For normally-distributed data, statistics were calculated using analysis of variance (ANOVA and for nonparametric data the Wilcoxon

  13. NATO Advanced Study Institute on Advances in Chemical Reaction Dynamics

    CERN Document Server

    Capellos, Christos

    1986-01-01

    This book contains the formal lectures and contributed papers presented at the NATO Advanced Study Institute on. the Advances in Chemical Reaction Dynamics. The meeting convened at the city of Iraklion, Crete, Greece on 25 August 1985 and continued to 7 September 1985. The material presented describes the fundamental and recent advances in experimental and theoretical aspects of, reaction dynamics. A large section is devoted to electronically excited states, ionic species, and free radicals, relevant to chemical sys­ tems. In addition recent advances in gas phase polymerization, formation of clusters, and energy release processes in energetic materials were presented. Selected papers deal with topics such as the dynamics of electric field effects in low polar solutions, high electric field perturbations and relaxation of dipole equilibria, correlation in picosecond/laser pulse scattering, and applications to fast reaction dynamics. Picosecond transient Raman spectroscopy which has been used for the elucidati...

  14. High vacuum general purpose scattering chamber for nuclear reaction study

    International Nuclear Information System (INIS)

    Suresh Kumar; Ojha, S.C.

    2003-01-01

    To study the nuclear reactions induced by beam from medium energy accelerators, one of the most common facility required is a scattering chamber. In the scattering chamber, projectile collides with the target nucleus and the scattered reaction products are detected with various type of nuclear detector at different angles with respect to the beam. The experiments are performed under high vacuum to minimize the background reaction and the energy losses of the charged particles. To make the chamber general purpose various requirement of the experiments are incorporated into it. Changing of targets, changing angle of various detectors while in vacuum are the most desired features. The other features like ascertaining the beam spot size and position on the target, minimizing the background counts by proper beam dump, accurate positioning of the detector as per plan etc. are some of the important requirements

  15. Sum Frequency Generation Studies of Hydrogenation Reactions on Platinum Nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Krier, James M. [Univ. of California, Berkeley, CA (United States)

    2013-08-31

    Sum Frequency Generation (SFG) vibrational spectroscopy is used to characterize intermediate species of hydrogenation reactions on the surface of platinum nanoparticle catalysts. In contrast to other spectroscopy techniques which operate in ultra-high vacuum or probe surface species after reaction, SFG collects information under normal conditions as the reaction is taking place. Several systems have been studied previously using SFG on single crystals, notably alkene hydrogenation on Pt(111). In this thesis, many aspects of SFG experiments on colloidal nanoparticles are explored for the first time. To address spectral interference by the capping agent (PVP), three procedures are proposed: UV cleaning, H2 induced disordering and calcination (core-shell nanoparticles). UV cleaning and calcination physically destroy organic capping while disordering reduces SFG signal through a reversible structural change by PVP.

  16. Direct mapping of the angle-dependent barrier to reaction for Cl + CHD3 using polarized scattering data

    Science.gov (United States)

    Pan, Huilin; Wang, Fengyan; Czakó, Gábor; Liu, Kopin

    2017-12-01

    The transition state, which gates and modulates reactive flux, serves as the central concept in our understanding of activated reactions. The barrier height of the transition state can be estimated from the activation energy taken from thermal kinetics data or from the energetic threshold in the measured excitation function (the dependence of reaction cross-sections on initial collision energies). However, another critical and equally important property, the angle-dependent barrier to reaction, has not yet been amenable to experimental determination until now. Here, using the benchmark reaction of Cl + CHD3(v1 = 1) as an example, we show how to map this anisotropic property of the transition state as a function of collision energy from the preferred reactant bond alignment of the backward-scattered products—the imprints of small impact-parameter collisions. The deduced bend potential at the transition state agrees with ab initio calculations. We expect that the method should be applicable to many other direct reactions with a collinear barrier.

  17. New Directions: Ozone-initiated reaction products indoors may be more harmful than ozone itself

    Science.gov (United States)

    Weschler, Charles J.

    2004-10-01

    Epidemiological studies have found associations between ozone concentrations measured at outdoor monitoring stations and certain adverse health outcomes. As a recent example, Gent et al. (2003, Journal of the American Medical Association 290, 1859-1867) have observed an association between ozone levels and respiratory symptoms as well as the use of maintenance medication by 271 asthmatic children living in Connecticut and the Springfield area of Massachusetts. In another example, Gilliland et al. (2001, Epidemiology 12, 43-54) detected an association between short-term increases in ozone levels and increased absences among 4th grade students from 12 southern California communities during the period from January to June 1996. Although children may spend a significant amount of time outdoors, especially during periods when ozone levels are elevated, they spend a much larger fraction of their time indoors. I hypothesize that exposure to the products of ozone-initiated indoor chemistry is more directly responsible for the health effects observed in the cited epidemiological studies than is exposure to outdoor ozone itself.

  18. Theoretical studies in nuclear reactions and nuclear structure

    International Nuclear Information System (INIS)

    Wallace, S.J.

    1991-05-01

    This report discusses topics in the following areas: Hadronic structure; hadrons in nuclei; hot hadronic matter; relativistic nuclear physics and NN interaction; leptonic emissions from high-Z heavy ion collisions; theoretical studies of heavy ion dynamics; nuclear pre-equilibrium reactions; classical chaotic dynamics and nuclear structure; and, theory of nuclear fission

  19. [Studies of heavy-ion induced reactions]: Annual progress report

    International Nuclear Information System (INIS)

    Mignerey, A.C.

    1986-10-01

    An experiment was performed at the Lawrence Berkeley Laboratory Bevalac, extending previous studies using inverse reactions to 50 MeV/u 139 La incident on targets of C and Al. Studies of excitation energy division in lower energy division in lower energy heavy-ion reactions were furthered using kinematic coincidences to measure the excitation energies of primary products in the Fe + Ho reaction at 12 MeV/u. These results will provide important systematics for comparisons with previous measurements at 9 MeV/u on the same system and at 15 MeV/u on the Fe + Fe and Fe + U systems. Also studied were different aspects of 15 MeV/u Fe-induced reactions, with experiments performed at the Oak Ridge HHIRF. The first three contributions of this report constitute a major portion of the results from this research. Finally, at the Lawrence Berkeley Laboratory Bevalac a large detector array for coincident detection of fragmentation products in heavy-ion collisions below 100 MeV/u is being built. A list of publications, personnel, and activities is provided

  20. Recent developments in fusion and direct reactions with weakly bound nuclei

    International Nuclear Information System (INIS)

    Canto, L.F.; Gomes, P.R.S.; Donangelo, R.; Lubian, J.; Hussein, M.S.

    2015-01-01

    In this Report we give a balanced account of the experimental and theoretical advances acquired over the last decade in the field of near-barrier fusion reactions induced by weakly bound stable and unstable nuclei. The elastic scattering and breakup reactions of these systems are also extensively reviewed as they play an important role in the fusion process. We review several theoretical tools used in the description of the data. The concepts of Complete Fusion (CF), Incomplete Fusion (ICF) and Total Fusion (TF), which is the sum of CF and ICF, are discussed and recent work on the calculation of these quantities is reviewed. The Continuum Discretized Coupled Channels (CDCC) method and its semiclassical version are described in detail and their limitations are pointed out. More importantly, we describe the salient features of the conclusions reached from the more than 40 measurements made, over a decade, of near-barrier fusion, elastic scattering and breakup reactions, and confront these data with the CDCC or other methods appropriate for these processes at the energy regime in question.

  1. Children's direct fright and worry reactions to violence in fiction and news television programs.

    Science.gov (United States)

    van der Molen, Juliette H Walma; Bushman, Brad J

    2008-09-01

    To examine whether violence in fictional and news television content frightens and worries children. Mixed factorial. Type of reaction (fright, worry) and television programming (violent news, violent fiction) were within-subjects factors, whereas age, sex, and television viewing frequency were between-subjects factors. Participants included 572 children (47% boys), aged 8 to 12 years, from 9 urban and rural primary schools in the Netherlands. The main exposure was to descriptions of 8 threats frequently depicted in fictional and news programs (eg, murder, war, house fires). Children reported whether they were frightened or worried by these threats. Violent threats increased both fright and worry. These 2 reactions could be distinguished from one another in a factor analysis. When violent content was described as news, it produced more fear reactions than when it was described as fiction. Fright and worry were greater in girls than in boys, in younger children than in older children, and in light television viewers than in heavy television viewers. Pediatricians should inform parents, educators, policy makers, and broadcasters about the potentially harmful effect of violent programming on children's emotions, especially in the case of news programming.

  2. Study of (α , p) and (α , n) reactions with a Multi-Sampling Ionization Chamber

    Science.gov (United States)

    Avila, M. L.; Rehm, K. E.; Almaraz-Calderon, S.; Ayangeakaa, A. D.; Dickerson, C.; Hoffman, C. R.; Jiang, C. L.; Kay, B. P.; Lai, J.; Nusair, O.; Pardo, R. C.; Santiago-Gonzalez, D.; Talwar, R.; Ugalde, C.

    2017-07-01

    A large number of (α , p) and (α , n) reactions are known to play a fundamental role in nuclear astrophysics. This work presents a novel technique to study these reactions with the active target system MUSIC whose segmented anode allows the investigation of a large energy range of the excitation function with a single beam energy. In order to verify the method, we performed direct measurements of the previously measured reactions 17O (α , n) 20Ne, 23Na (α , p) 26Mg, and 23Na (α , n) 26Al. These reactions were investigated in inverse kinematics using 4He gas in the detector to study the excitation functions in the energy range of about 2-6 MeV in the center of mass. We found good agreement between the cross sections of the 17O (α , n) 20Ne reaction measured in this work and previous measurements. Furthermore we have successfully performed a simultaneous measurement of the 23Na (α , p) 26Mg and 23Na (α , n) 26Al reactions.

  3. Study of austempering reaction in austempered ductile iron

    International Nuclear Information System (INIS)

    Ja'far Farhan Al-Sharab; Sharma, D.G.R.; Samsul Bahar Sadli

    1996-01-01

    Austempered Ductile Iron (ADI) is an important engineering material which is gaining popularity. The conventional belief that austempered ductile iron, when heat treated satisfactorily, contains bainite, is now disproved by recent experiments. Our present work on the study of the reaction products of heat treated ADI by x-ray diffraction confirms the recent view. The results of x-ray diffraction studies on the structural constituents od ADI for various durations of austempering are presented and discussed

  4. Esterification with ethanol to produce biodiesel from high acidity raw materials. Kinetic studies and analysis of secondary reactions

    Energy Technology Data Exchange (ETDEWEB)

    Pisarello, M.L.; Dalla Costa, B.; Mendow, G.; Querini, C.A. [Instituto de Investigaciones en Catalisis y Petroquimica (INCAPE)-(FIQ-UNL, CONICET), Santiago del Estero 2654-Santa Fe, S3000AOJ (Argentina)

    2010-09-15

    In this work, the esterification reaction of free fatty acids (FFA) in sunflower oil, coconut oil and concentrated FFA, with ethanol, methanol and ethanol 96%, using homogeneous acid catalysts to produce biodiesel is studied. Kinetic parameters are estimated with a simplified model, and then used to predict the reaction behavior. Reactions other than the reversible esterification are considered to explain the behavior that this system displays. Such reactions are the triglycerides conversion by acid catalyzed transesterification and hydrolysis. In addition, we include kinetic studies of the reaction that occur between the sulphuric acid and methanol (or ethanol), forming mono and dialkylsulphates. This reaction produces water and consumes methanol (or ethanol), and consequently has a direct impact in the esterification reaction rate and equilibrium conversion. The concentration of sulphuric acid decreases to less than 50% of the initial value due to the reaction with the alcohol. A minimum in the acidity due to the free fatty acids as a function of time was clearly observed during the reaction, which has not been reported earlier. This behavior is related to the consecutive reactions that take place during the esterification of FFA in the presence of triglycerides. The phase separation due to the presence of water, which is generated during the reaction, is also studied. (author)

  5. Model-independent spectroscopic information and the peripheral direct capture A(a,γ)B reaction at stellar energies

    International Nuclear Information System (INIS)

    Igamov, S.B.; Yarmukhamedov, R.

    2004-01-01

    Full text: Despite the impressive progress in our understanding of these processes has been made in the last decades, there are still many problems connected with obtaining precise data on the A(p,γ )B and A(α,γ )B reactions cross sections at stellar energies to be solved. One of the possibilities of solving these problems is based on the principally peripheral character of charged particles interaction at low energy and the possibility of using the information on asymptotic normalization coefficients (ANC) (or respective nuclear vertex constants (NVC) for the virtual decay B→A+a ) of the overlap functions for the A(p,γ )B and A(α,γ)B reactions. This review is devoted to critical analysis of traditional methods of obtaining ANC information from DWBA - method calculation of proton transfer reactions and two - body potential model calculation of the direct capture reactions. Moreover in this review modified two - body potential approach allowing to determine both the ANC for virtual decays B→p+A and B→α+A and astrophysical S-factor, S(E), for the A(p,γ)B and A(α,γ)B at stellar energies E (∼ 25 keV) is discussed. This method involves two additional conditions that allow to verify the peripheral character of the considered reactions. New information about rates of t( α ,γ ) 7 Li, 3 He(α ,γ ) 7 Be, 7 Be(p,γ ) 8 B and 12 C(p,γ ) 13 N reactions and estimation of the values of the ANC's for 7 Li →α+t, 7 Be→α+ 3 He, and 8 B→ 7 Be+p has also been presented

  6. Reaction of a chemotherapeutic agent, 6-mercaptopurine, with a direct-acting, electrophilic carcinogen, benzo[a]pyrene-7,8-diol 9,10-epoxide.

    Science.gov (United States)

    MacLeod, M C; Stewart, E; Daylong, A; Lew, L K; Evans, F E

    1991-01-01

    The chemotherapeutic agent 6-mercaptopurine (6-MP) has been shown to react covalently with the ultimate carcinogenic metabolite of benzo[a]pyrene, 7-r,8-t-dihydroxy-9-t,10-t-oxy-7,8,9,10-tetrahydrobenzo[a]pyrene (BPDE), in aqueous solution, forming a single adduct. NMR studies of the HPLC-purified product were consistent with its identification as 10(S)-(6'-mercaptopurinyl)-7,8,9-trihydroxy-7,8,9,10- tetrahydrobenzo[a]pyrene. Reaction kinetics were analyzed by using both HPLC separation of the products formed and a spectrophotometric assay for adduct formation. A simple model in which direct reaction between 6-MP and BPDE takes place without formation of a physical complex was found to adequately predict the dependence of product ratios on 6-MP concentration. Variations in the observed rate constant for this reaction with changes in temperature, pH, and buffer concentration were determined and compared to the effects of these variables on the observed rate constant for BPDE hydrolysis. In each case, the processes were affected quite differently, suggesting that different rate-determining steps are involved. The data suggest that the reaction mechanism involves SN2 attack of the anion of 6-MP, formed by ionization of the sulfhydryl group, on carbon 10 of BPDE, resulting in a trans-9,10 reaction product.

  7. Unified studies of structure and reactions in light unstable nuclei

    Directory of Open Access Journals (Sweden)

    Ito Makoto

    2016-01-01

    Full Text Available The generalized two-center cluster model (GTCM, which can treat covalent, ionic and atomic configurations in general systems with two inert cores plus valence nucleons, is formulated in the basis of the microscopic cluster model. In this model, the covalent configurations constructed by the molecular orbital (MO method and the atomic (or ionic configuration obtained by the valence bonding (VB method can be described in a consistent manner. GTCM is applied to the light neutron-rich system, 10,12Be = α + α + XN (X = 2,4, and the unified studies of the structural changes and the reaction problem are performed. In the structure study, the calculated energy levels are characterized in terms of the chemical bonding like structures, such as the covalent MO or ionic VB structures. The chemical bonding structures changes from level to level within a small energy interval. In the unbound region, the structure problem with the total system of α + α + XN and the reaction problem, induced by the collision of an asymptotic VB state of α+6,8He, are combined by GTCM. The properties of unbound resonant states are discussed in a close connection to the reaction mechanism, and some enhancement factors originated from the properties of the intrinsic states are predicted in the reaction observables. The unified calculation of the structures and the reactions is applied to the Coulomb shift problem in the mirror system, such the 10Be and 10C nuclei. The Coulomb displacement energy of the mirror systems are discussed.

  8. Charged particle reaction studies on /sup 14/C. [Spectroscopic factors

    Energy Technology Data Exchange (ETDEWEB)

    Cecil, F E; Shepard, J R; Anderson, R E; Peterson, R J; Kaczkowski, P [Colorado Univ., Boulder (USA). Nuclear Physics Lab.

    1975-12-22

    The reactions /sup 14/C(p,d), (d,d') and (d,p) have been measured for E/sub p/ = 27 MeV and E/sub d/ = 17 MeV. The (d,d') and (d,p) reactions were studied between theta/sub lab/ = 15/sup 0/ and 85/sup 0/; the (p,d) reactions, between theta/sub lab/ = 5/sup 0/ and 40/sup 0/. The /sup 14/C deformation parameters were deduced from the deuteron inelastic scattering and found to agree with deformations measured in nearby doubly even nuclei. The spectroscopic factors deduced from the (p,d) reaction allowed a /sup 14/C ground-state wave function to be deduced which compares favorably with a theoretically deduced wave function. The (p,d) and (d,p) spectroscopic factors are consistent. The implications of our /sup 14/C ground-state wave function regarding the problem of the /sup 14/C hindered beta decay are discussed.

  9. Atmospheric reaction of Cl + methacrolein: a theoretical study on the mechanism, and pressure- and temperature-dependent rate constants.

    Science.gov (United States)

    Sun, Cuihong; Xu, Baoen; Zhang, Shaowen

    2014-05-22

    Methacrolein is a major degradation product of isoprene, the reaction of methacrolein with Cl atoms may play some roles in the degradation of isoprene where these species are relatively abundant. However, the energetics and kinetics of this reaction, which govern the reaction branching, are still not well understood so far. In the present study, two-dimensional potential energy surfaces were constructed to analyze the minimum energy path of the barrierless addition process between Cl and the C═C double bond of methacrolein, which reveals that the terminal addition intermediate is directly formed from the addition reaction. The terminal addition intermediate can further yield different products among which the reaction paths abstracting the aldehyde hydrogen atom and the methyl hydrogen atom are dominant reaction exits. The minimum reaction path for the direct aldehydic hydrogen atom abstraction is also obtained. The reaction kinetics was calculated by the variational transition state theory in conjunction with the master equation method. From the theoretical model we predicted that the overall rate constant of the Cl + methacrolein reaction at 297 K and atmospheric pressure is koverall = 2.3× 10(-10) cm(3) molecule(-1) s(-1), and the branching ratio of the aldehydic hydrogen abstraction is about 12%. The reaction is pressure dependent at P pressure limit at about 100 Torr. The calculated results could well account for the experimental observations.

  10. 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

  11. Low-lying states and structure of the exotic 8He via direct reactions on the proton

    International Nuclear Information System (INIS)

    Skaza, F.; Lapoux, V.; Keeley, N.; Alamanos, N.; Auger, F.; Beaumel, D.; Becheva, E.; Blumenfeld, Y.; Delaunay, F.; Drouart, A.; Gillibert, A.; Giot, L.; Khan, E.; Nalpas, L.; Pakou, A.; Pollacco, E.; Raabe, R.; Roussel-Chomaz, P.; Rusek, K.; Scarpaci, J.-A.; Sida, J.-L.; Stepantsov, S.; Wolski, R.

    2007-01-01

    The structure of the light exotic nucleus 8 He was investigated using direct reactions of the 8 He SPIRAL beam on a proton-rich target. The (p,p') scattering to the 2 1 + state, the (p,d) 7 He and (p,t) 6 He transfer reactions, were measured at the energy E lab =15.7 A.MeV. The light charged particles (p,d,t) were detected in the MUST Si-strip telescope array. The excitation spectrum of 8 He was extracted from the (p,p') reaction. Above the known 2 1 + excited state at 3.6 MeV, a second resonance was found around 5.4 MeV. The cross sections were analyzed within the coupled-reaction channels framework, using microscopic potentials. It is inferred that the 8 He ground state has a more complex neutron-skin structure than suggested by previous α+4n models assuming a pure (1p 3/2 ) 4 configuration

  12. Direct cementitious waste option study report

    International Nuclear Information System (INIS)

    Dafoe, R.E.; Losinski, S.J.

    1998-02-01

    A settlement agreement between the Department of Energy (DOE) and the State of Idaho mandates that all high-level radioactive waste (HLW) now stored at the Idaho Chemical Processing Plant (ICPP) will be treated so that it is ready to be moved out of Idaho for disposal by a target data of 2035. This study investigates the direct grouting of all ICPP calcine (including the HLW dry calcine and those resulting from calcining sodium-bearing liquid waste currently residing in the ICPP storage tanks) as the treatment method to comply with the settlement agreement. This method involves grouting the calcined waste and casting the resulting hydroceramic grout into stainless steel canisters. These canisters will be stored at the Idaho National Engineering and Environmental Laboratory (INEEL) until they are sent to a national geologic repository. The operating period for grouting treatment will be from 2013 through 2032, and all the HLW will be treated and in interim storage by the end of 2032

  13. Direct cementitious waste option study report

    Energy Technology Data Exchange (ETDEWEB)

    Dafoe, R.E.; Losinski, S.J.

    1998-02-01

    A settlement agreement between the Department of Energy (DOE) and the State of Idaho mandates that all high-level radioactive waste (HLW) now stored at the Idaho Chemical Processing Plant (ICPP) will be treated so that it is ready to be moved out of Idaho for disposal by a target data of 2035. This study investigates the direct grouting of all ICPP calcine (including the HLW dry calcine and those resulting from calcining sodium-bearing liquid waste currently residing in the ICPP storage tanks) as the treatment method to comply with the settlement agreement. This method involves grouting the calcined waste and casting the resulting hydroceramic grout into stainless steel canisters. These canisters will be stored at the Idaho National Engineering and Environmental Laboratory (INEEL) until they are sent to a national geologic repository. The operating period for grouting treatment will be from 2013 through 2032, and all the HLW will be treated and in interim storage by the end of 2032.

  14. Crossed-beam studies of the dynamics of radical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Liu, K. [Argonne National Laboratory, IL (United States)

    1993-12-01

    The objective of this program is to characterize the detailed dynamics of elementary radical reactions and to provide a better understanding of radical reactivity in general. The radical beam is typically generated by a laser photolysis method. After colliding with the reacting molecule in a crossed-beam apparatus, the reaction product state distribution is interrogated by laser spectroscopic techniques. Several radicals of combustion significance, such as O, CH, OH, CN and NCO have been successfully generated and their collisional behavior at the state-to-state integral cross section level of detail has been studied in this manner. During the past year, the detection system has been converted from LIF to REMPI schemes, and the emphasis of this program shifted to investigate the product angular distributions. Both inelastic and reactive processes have been studied.

  15. Continuing studies of alkali-aggregate reactions in concrete

    International Nuclear Information System (INIS)

    Gilliot, J.E.; Beddoes, R.J.

    1981-01-01

    Studies are continuing into the nature of the different forms of the alkali-aggregate reaction. No general agreement exists as to the detailed nature of the expansive mechanisms. Alkali is known to react internally with opaline silica because of its microporous nature whereas reaction at the external surface is thought to be relatively more important in the case of quartz. A combination of Fourier shape and surface texture analysis, microscopy and osmotic studies is being used to obtain information on the relative importance of these two forms of alkaline attack on silica. Analytical methods are much more rapid than dimensional change tests and it is hoped that a better understanding of the expansion mechanism will lead to more certain recognition of potentially alkali expansive aggregates

  16. Fluctuation effects on average cross sections in compound, direct and doorway state resonance reactions

    International Nuclear Information System (INIS)

    Moldauer, P.A.

    1979-01-01

    The main features of the effects of S-matrix flucturations on average cross sections are reviewed with emphasis on recent developments on the enhancement of small cross sections and cross sections between directly coupled channels. Examples are given in which the effect can distort the shape of a doorway state resonance so as to reduce its observed width. 4 figures

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

    Indian Academy of Sciences (India)

    An outlook on the perspective of photon measurements at ... QCD, the theory of strong interaction, enters the perturbative regime and is calculable. ... While photon production may be less difficult to treat than some other processes ... the context of both prompt and thermal direct photons, as they are dominated by the lowest.

  18. Direct formation of LiAlH4 by a mechanochemical reaction

    International Nuclear Information System (INIS)

    Kojima, Yoshitsugu; Kawai, Yasuaki; Haga, Tetsuya; Matsumoto, Mitsuru; Koiwai, Akihiko

    2007-01-01

    A small amount of lithium tetrahydridoaluminate (LiAlH 4 ) was directly synthesized by ball-milling of lithium hydride LiH and aluminum Al in a H 2 atmosphere (1 MPa) at room temperature. Concomitant formation of lithium hexahydridoaluminate Li 3 AlH 6 was confirmed

  19. Prospects in the study of very inelastic electronuclear reactions

    International Nuclear Information System (INIS)

    Laget, J.M.

    1983-03-01

    Nuclear physics has reached a frontier where it is not possible to consider the classical constituents (mesons and nucleons) as inert objects: it is necessary to take also into account internal structure. After having shown how the study of nuclei, with the electromagnetic probe, has made it possible to solve and clarify some problems, it is shown under what conditions these internal degrees of freedom can show up in the study of electronuclear reactions, and to what extent the study of complex hadronic systems at short distance is an essential complement to the study of high momentum scattering between elementary hadrons

  20. Investigation of chemical and electrochemical reactions mechanisms in a direct carbon fuel cell using olive wood charcoal as sustainable fuel

    Science.gov (United States)

    Elleuch, Amal; Halouani, Kamel; Li, Yongdan

    2015-05-01

    Direct carbon fuel cell (DCFC) is a high temperature fuel cell using solid carbon as fuel. The use of environmentally friendly carbon material constitutes a promising option for the DCFC future. In this context, this paper focuses on the use of biomass-derived charcoal renewable fuel. A practical investigation of Tunisian olive wood charcoal (OW-C) in planar DCFCs is conducted and good power density (105 mW cm-2) and higher current density (550 mA cm-2) are obtained at 700 °C. Analytical and predictive techniques are performed to explore the relationships between fuel properties and DCFC chemical and electrochemical mechanisms. High carbon content, carbon-oxygen groups and disordered structure, are the key parameters allowing the achieved good performance. Relatively complex chain reactions are predicted to explain the gas evolution within the anode. CO, H2 and CH4 participation in the anodic reaction is proved.

  1. Electrochemical characterization of Pt-Ru-Pd catalysts for methanol oxidation reaction in direct methanol fuel cells.

    Science.gov (United States)

    Choi, M; Han, C; Kim, I T; An, J C; Lee, J J; Lee, H K; Shim, J

    2011-01-01

    PtRuPd nanoparticles on carbon black were prepared and characterized as electrocatalysts for methanol oxidation reaction in direct methanol fuel cells. Nano-sized Pd (2-4 nm) particles were deposited on Pt/C and PtRu/C (commercial products) by a simple chemical reduction process. The structural and physical information of the PtRuPd/C were confirmed by TEM and XRD, and their electrocatalytic activities were measured by cyclic voltammetry and linear sweep voltammetry. The catalysts containing Pd showed higher electrocatalytic activity for methanol oxidation reaction than the other catalysts. This might be attributed to an increase in the electrochemical surface area of Pt, which is caused by the addition of Pd; this results in increased catalyst utilization.

  2. Study of charged current reactions induced by muon antineutrinos

    International Nuclear Information System (INIS)

    Huss, D.

    1979-07-01

    We present in this work a study of antineutrino reactions on light targets. We have used the Gargamelle cloud chamber with a propane-freon mix. In the 2 first chapters we give a brief description of the experimental setting and we present the selection criteria of the events. In the third chapter we analyse the data for the reaction anti-ν + p → μ + + n that preserves strangeness. We have deduced the values of the axial (M A ) and vector (M V ) form factors: M A = (O.92 ± 0.08) GeV and M V = (0.86 ± 0.04) GeV. In the fourth chapter we study reactions in which strange particles appear (ΔS = 1) and we have determined their production cross-sections. The elastic reaction: anti-ν + p → μ + + Λ is studied in a more accurate manner thanks to a 3-constraint adjustment that enables the selection of events occurring on free protons. We have deduced from our data the longitudinal, orthogonal and transverse polarization of Λ, we have got respectively P l = -0.06 ± 0.44; P p = 0.29 ± 0.41; P t 1.05 ± 0.30. We have also deduced the values of the total cross-section as a function of the incident antineutrino energy E: σ (0.27 ± 0.02)*E*10 -38 cm -2 . E has been assessed from the energy deposited in the cloud chamber and we have adjusted the cross-section with a straight line as it is expected under the assumption of scale invariance. (A.C.)

  3. Subpicosecond pulse radiolysis studies on spur reactions and nanotechnology

    International Nuclear Information System (INIS)

    Tagawa, S.

    2003-01-01

    Recently we developed a subpicosecond pulse radiolysis system, although the time resolution of pulse radiolysis had remained about 30 ps for these 30 years. Time resolution and S/N ratio have been improved dramatically. The subpicosecond pulse radiolysis is a very powerful method to detect and observe transient phenomena in radiation chemistry and physics within 30 ps. By using the subpicosecond pulse radiolysis, many researches have been carried out on ultrafast phenomena in radiation chemistry, physics, biology and applied fields such as material science.Especially the spur reaction, which is one of the most important reactions in radiation chemistry, physics and biology, has been studied in the very wide time range from subpicosecond to several hundred nanoseconds by very high S/N ratio. These experimental results were analyzed theoretically and applied to the basic data for nanofabrication, which are very important in both next generation lithography and nanotechnology

  4. Study of charge transfer reactions in a microbial fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Martin, E.; Savadogo, O. [Ecole Polytechnique, Montreal, PQ (Canada). Dept. de Genie Chimique; National Research Council of Canada, Montreal, PQ (Canada). Biotechnology Research Inst.; Tartakovsky, B. [National Research Council of Canada, Montreal, PQ (Canada). Biotechnology Research Inst.

    2008-07-01

    Electron transfer reactions in a microbial fuel cell (MFC) were evaluated. The MFC was inoculated with anaerobic mesophilic sludge and operated with carbon felt, carbon cloth, and platinum (Pt) coated carbon cloth. The MFC was then fed with either acetate or glucose as a source of fuel and operated at a temperature of 25 degrees C and a pH of 7. Scanning electron microscopy (SEM) micrographs demonstrated that the micro-organisms colonized the anodes. Cyclic voltammetry and polarization tests were conducted using different fractions of the anodophilic biofilm in order to determine charge transfer routes. The study characterized the electron transfer mechanisms used by the exoelectrogenic micro-organisms to produce electricity. It was concluded that further research is needed to characterize reaction transfer routes. 2 refs., 1 fig.

  5. A semiconductor counter telescope for neutron reaction studies

    Energy Technology Data Exchange (ETDEWEB)

    Lalovic, B I; Ajdacic, V S [Institute of nuclear sciences Boris Kidric, Vinca, Beograd (Yugoslavia)

    1963-12-15

    A counter telescope consisting of two or three semiconductor counters for {delta}E/{delta}x vs. E analysis was made for studying nuclear reactions induced by 14.4 MeV neutrons. Various factors important for the telescope performance are discussed in details and some solutions for getting an optimum resolution and a low background are given. Protons, deuterons and alpha particles resulting from scattering and reactions of 14.4 MeV neutrons on deuterium, tritium, praseodymium and niobium were detected, and pulses from the counters recorded on a two-dimensional analyzer. These experiments have shown that the telescope compares favorably with other types of telescopes with regards to the upper limit of neutron flux which can be used, (DELTADELTA)x and E resolution, versatility and compactness (author)

  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. High resolution studies of pion-nucleus reaction mechanism

    International Nuclear Information System (INIS)

    Morris, C.L.

    1983-01-01

    Pion inelastic scattering is generally well described as a first order process using the DWIA. This is especially true for a large body of inelastic scattering data to low-lying collective states which is well-described by form factors obtained in (e,e') and the DWIA. Some data for which this model does not work are presented. Higher order reaction mechanisms have been invoked to explain some of these data. However, no model of these second order processes gives a satisfactory explanation of the entire data set. Experimentally, more data for pion-induced transitions to low-spin unnatural-parity states which have been studied by other probes would be useful in sorting out the reaction mechanisms responsible for the anomalous cross sections observed for the 1 + states in 12 C. Theoretically, a consistent evaluation of possible second-order diagrams in inelastic scattering, such as is being attempted for DCX 22 , would be useful

  8. A study of butyl acetate synthesis. 4-reaction kinetics

    Directory of Open Access Journals (Sweden)

    Álvaro Orjuela Londoño

    2006-05-01

    Full Text Available This work was aimed at studying liquid-phase acetic acid and butyl alcohol esterification reaction (P atm =0.76 Bar,using an ion exchange resin (Lewatit K-2431 as catalyst. The effect of the absence of internal and external mass transport on catalyst particles was established in the research conditions used here. A set of assays to determine the effect of catalyst load (0.5%, 1%, 2% w/w temperature (73°C, 80°C, 87°C and molar ratio (1:2, 1:1, 2:1 acid/alcohol on reaction rate was carried out and both LHHW and pseudo-homogeneous kinetic expressions were obtained, these being in good agreement with the experimental data.

  9. Theoretical nuclear reaction and structure studies using hyperons and photons

    International Nuclear Information System (INIS)

    Cotanch, S.R.

    1992-01-01

    Research in three principal areas is summarized: (1) Work in elementary hadron structure seeks to further the understanding of hadron structure within the framework of quantum chromodynamics (QCD) and QCD-based models. A comparative study of meson properties employed three relativistic models: an extended Dziembowski model, a generalized light-front approach, and a completely covariant null plane approach. (2) Work on the electromagnetic production of strangeness addressed systems involving the strange quark (hyperons) and hyperon electromagnetic production and radiative capture processes. (3) In the work on medium-energy photonuclear reactions, a large-scale continuum shell-model calculation was performed for (γ,N) and (N,γ) reactions at low and medium energies spanning the Δ isobar region

  10. Quid-Induced Lichenoid Reactions: A Prevalence Study

    Directory of Open Access Journals (Sweden)

    Vishal Dang

    2011-01-01

    Full Text Available White lesions of the oral mucosa are of concern to the dental surgeon in view of the fact that some of these may be potentially malignant. Oral lichen plane: (OLP and oral lichenoid reactions (OLR share similar clinical appearances but need to be carefully distinguished because of their different etiologies and clinical behaviour. This study screened 5.017 population, in a house-to-house field survey, for tobacco use and investigated the prevalence of oral lichenoid reactions in the 98 quid users. Six subjects with clinical/clinical and histopathological criteria compatible with the diagnosis of OLR were identified. All these subjects were users of ′Gutka′, a unique chewable variant of tobacco quid containing areca nut and catechu. Statistical analysis revealed a significant association between quid habit and lesion occurrence (p < 0.005.

  11. Theoretical studies in nuclear reaction and nuclear structure. Final report, January 1, 1975--June 30, 1976

    International Nuclear Information System (INIS)

    Banerjee, M.K.; Griffin, J.J.

    1977-07-01

    Progress in theoretical research is reported under the following readings: (1) few nuclear reactions, Eikonal approximations, and optical models; (2) pion reactions; (3) nuclear structure by reaction studies; (4) nuclear dynamics

  12. Study of some parameters of the fibrinogen - fibrin transformation reaction

    International Nuclear Information System (INIS)

    Hollard, D.; Suscillon, M.; Marcille, G.; Rambaud, F.; Baloyan, M.

    1966-01-01

    The authors studied the action of some parameters on the reaction of transformation fibrinogen-fibrin. The five parameters studied are: the concentration of substratum: a certain quantity of enzyme determines an optimum quantity of fibrinogen; the concentration of enzyme: a certain quantity of substratum defines an optimum quantity of enzyme, beyond which the excess of enzyme is unable to act, the substratum being saturated by the enzyme; the concentration of Ca ions: between 0,07 and 0,10 mg of Ca by mg of fibrinogen, the reaction appears with a great speed. Between 0,02 and 0,40 mg of Ca by mg of fibrinogen the fibrin stabilisation is possible, the FSF can act only inside the definite bounds; the ph of the solution: the reaction of the transformation appears with its maximum intensity on physiological ph, the polymerisation is not possible on acid ph; the temperature has an effect which could not really be verified owing to the fact that the technical realisation is difficult. (author) [fr

  13. Papulo-Nodular Reactions in Black Tattoos as Markers of Sarcoidosis: Study of 92 Tattoo Reactions from a Hospital Material.

    Science.gov (United States)

    Sepehri, Mitra; Hutton Carlsen, Katrina; Serup, Jørgen

    2016-01-01

    Sarcoidosis is, from historical data, suggested to be more prevalent among patients with tattoo reactions. We aimed to evaluate this association in a systematic study. This is a consecutive study of patients with tattoo complications, diagnosed in the "Tattoo Clinic" at Bispebjerg University Hospital in Copenhagen, Denmark, from 2008 to 2015, based on clinical assessment and histology. From the overall group of 494 tattoo complications in 406 patients, 92 reactions in 72 patients showed a papulo-nodular pattern studied for local and systemic sarcoidosis, since sarcoidosis is expected to be nodular. Of the 92 reactions with a papulo-nodular pattern, 27 (29%) reactions in 19 patients were diagnosed as cutaneous or systemic sarcoidosis, supported by histology; 65 (71%) were diagnosed as non-sarcoidosis due to histology and no clinical sarcoid manifestations. "Rush phenomenon" with concomitant reaction in many other black tattoos, triggered by a recent tattoo with a papulo-nodular reaction, was observed in 70% in the sarcoidosis group and 28% in the non-sarcoidosis group, indicating a predisposing factor which may be autoimmune and linked with sarcoidosis. Agglomerates of black pigment forming foreign bodies may in the predisposed individual trigger widespread reaction in the skin and internal organs. Black tattoos with papulo-nodular reactions should be seen as markers of sarcoidosis. Papulo-nodular reactions may, as triggers, induce widespread reactions in other black tattoos - a "rush phenomenon" - depending on individual predisposition. Sarcoidosis is estimated to be 500-fold increased in papulo-nodular reactions compared to the prevalence in the general population, and the association with black tattoos is strong. © 2017 S. Karger AG, Basel.

  14. Direct costs of managing adverse drug reactions during rifampicin-resistant tuberculosis treatment in South Africa.

    Science.gov (United States)

    Schnippel, K; Firnhaber, C; Berhanu, R; Page-Shipp, L; Sinanovic, E

    2018-04-01

    To estimate the provider costs of managing adverse drug reactions (ADRs) to standard long-course treatment for multidrug- and rifampicin-resistant tuberculosis (MDR/RR-TB) according to South African guidelines. We parameterised a published Markov health state model for MDR/RR-TB with guidelines-based, bottom-up public-sector provider costing of ADR management. Frequency of ADR occurrence was extracted from the literature. Costs were estimated over 10 years, discounted 3% annually and tested using probabilistic sensitivity analysis. On average, guidelines-based costing of moderate ADRs weighted by the frequency of occurrence was US$135.76 (standard deviation [SD] US$17.18) and the cost of serious ADRs was US$521.29 (SD US$55.99). We estimated that the incremental costs of ADR management were US$380.17 annually per patient initiating MDR/RR-TB treatment. The incremental costs of ADR management for the public health sector in South Africa was US$4.76 million, 8.3% of the estimated cohort costs of MDR/RR-TB treatment ($57.55 million) for the 2015 cohort of 12 527 patients. Management of multiple ADRs and serious ADRs, which are common during the first 6 months of standard, long-course MDR/RR-TB treatment, substantially increases provider treatment costs. These results need to be taken into account when comparing regimen costs, and highlight the urgent need to identify drug regimens with improved safety profiles.

  15. Evaluation of the extent of initial Maillard reaction during cooking some vegetables by direct measurement of the Amadori compounds.

    Science.gov (United States)

    Yu, Jiahao; Zhang, Shuqin; Zhang, Lianfu

    2018-01-01

    During vegetable cooking, one of the most notable and common chemical reactions is the Maillard reaction, which occurs as a result of thermal treatment and dehydration. Amadori compound determination provides a very sensitive indicator for early detection of quality changes caused by the Maillard reaction, as well as to retrospectively assess the heat treatment or storage conditions to which the product has been subjected. In this paper, a hydrophilic interaction liquid chromatographic-electrospray ionization-tandem mass spectrometric method was developed for the analysis of eight Amadori compounds, and the initial steps of the Maillard reaction during cooking (steaming, frying and baking) bell pepper, red pepper, yellow onion, purple onion, tomato and carrot were also assessed by quantitative determination of these Amadori compounds. These culinary treatments reduced moisture and increased the total content of Amadori compounds, which was not dependent on the type of vegetable or cooking method. Moreover, the effect of steaming on Amadori compound content and water loss was less than that by baking and frying vegetables. Further studies showed that the combination of high temperature and short time may lead to lower formation of Amadori compounds when baking vegetables. Culinary methods differently affected the extent of initial Maillard reaction when vegetables were made into home-cooked products. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  16. Performance study of the anisotropic flow and reaction plane reconstruction in the CBM experiment

    International Nuclear Information System (INIS)

    Mikhaylov, V; Kugler, A; Kushpil, V; Tlustý, P; Selyuzhenkov, I

    2016-01-01

    The Projectile Spectator Detector (PSD) is a subsystem of the CBM experiment at the future FAIR facility designed to determine centrality and reaction plane orientation in the heavy-ion collisions. It will be done by measurement of the energy distribution of the heavy nucleons and nuclei fragments emitted close to the beam rapidity in forward direction. For the anticipated beam energies of FAIR SIS100 and SIS300 accelerators, different event generators (iQMD, UrQMD, DCM-QGSM, LA-QGSM and HSD) were used for the study of directed and elliptic proton flow in Au+Au collisions. Produced particles were transported with the GEANT4 Monte-Carlo using the CBM detector geometry. Performance of the reaction plane determination is shown for different PSD setups to demonstrate effects of the detector granularity and magnetic field. Simulation results are compared with the FOPI, AGS E877, E895 and STAR experimental data. (paper)

  17. Laboratory studies of ion-molecule reactions and interstellar chemistry

    International Nuclear Information System (INIS)

    Koyano, Inosuke

    1989-01-01

    Several types of laboratory studies have been performed on ion-molecule reactions relevant to the formation of the interstellar molecules. Special emphasis is placed on the formation, structure, and reactivity of the C 3 H 3 + ions, which are believed to play a key role in interstellar chemistry. When these ions are produced by the reaction of C 3 H 4+ with C 3 H 4 in a beam-gas arrangement, their times-of-flight (TOF) show abnormally broad distributions regardless of the sources of the reactant C 3 H 4 + ion (photoionization of allene, propyne, the cyclopropene) and the nature of the neutral reactant, while all other product ions from the same reaction show sharp TOF distributions. On the other hand, all C 3 H 3 + ions produced by unimolecular decomposition of energetic C 3 H 4 + ions show sharp TOF distribution. The peculiarity of the C 3 H 3 + ions manifested in these and other experiments is discussed in conjunction with interstellar chemistry

  18. Probing the electronic structure of redox species and direct determination of intrinsic reorganization energies of electron transfer reactions

    International Nuclear Information System (INIS)

    Wang, Xue-Bin; Wang, Lai-Sheng

    2000-01-01

    An experimental technique capable of directly determining the intrinsic reorganization energies of bimolecular electron transfer reactions is described. Appropriate solution phase redox species are prepared in the gas phase using electrospray ionization and probed using photodetachment spectroscopy. Five metal complex anions involved in the Fe 2+ -Fe 3+ redox couple are investigated and the intramolecular reorganization energies are measured directly from spectral features due to removing the most loosely bound 3d electron from the Fe(II)-complexes. The photodetachment spectra also yield electronic structure information about the Fe 2+ -Fe 3+ redox couple and provide a common electronic structure origin for the reducing capability of the Fe(II)-complexes, the most common redox reagents. (c) 2000 American Institute of Physics

  19. Enhancing the methanol tolerance of platinum nanoparticles for the cathode reaction of direct methanol fuel cells through a geometric design.

    Science.gov (United States)

    Feng, Yan; Ye, Feng; Liu, Hui; Yang, Jun

    2015-11-18

    Mastery over the structure of nanoparticles might be an effective way to enhance their performance for a given application. Herein we demonstrate the design of cage-bell nanostructures to enhance the methanol tolerance of platinum (Pt) nanoparticles while remaining their catalytic activity for oxygen reduction reaction. This strategy starts with the synthesis of core-shell-shell nanoparticles with Pt and silver (Ag) residing respectively in the core and inner shell regions, which are then agitated with saturated sodium chloride (NaCl) solution to eliminate the Ag component from the inner shell region, leading to the formation of bimetallic nanoparticles with a cage-bell structure, defined as a movable Pt core enclosed by a metal shell with nano-channels, which exhibit superior methanol-tolerant property in catalyzing oxygen reduction reaction due to the different diffusion behaviour of methanol and oxygen in the porous metal shell of cage-bell structured nanoparticles. In particular, the use of remarkably inexpensive chemical agent (NaCl) to promote the formation of cage-bell structured particles containing a wide spectrum of metal shells highlights its engineering merit to produce highly selective electrocatalysts on a large scale for the cathode reaction of direct methanol fuel cells.

  20. Allergic reactions to milk appear sooner than reactions to hen's eggs: a retrospective study.

    Science.gov (United States)

    Yanagida, Noriyuki; Minoura, Takanori; Kitaoka, Setsuko

    2016-01-01

    Oral food challenge test doses are recommended to be performed at least 20 min apart; however, the times of symptom provocation from the start of the oral food challenge have never been compared between different foods. In this study, the durations from the start of the oral food challenge to symptom development in children with egg or milk allergy were compared. Thirty-eight and 74 children who had previously passed oral food challenges to 96 g of yogurt and pumpkin cake containing ¼ whole egg underwent oral food challenges with 200 mL raw cow's milk and 1 whole scrambled egg, respectively; of these, 15/38 and 33/74 children had a reaction. The median ages of patients with a positive challenge were 5.8 and 5.1 years for milk and eggs, respectively. The median times for the first symptom occurrence were 20 min (range, 5-55 min) and 50 min (5-480 min), respectively (p = 0.009). The first symptoms developed within 30, 60, and 90 min in 12/15 (80 %), 15/15 (100 %), and 15/15 (100 %) children with milk allergies, and in 10/33 (30.3 %), 20/33 (60.6 %), and 26/33 (78.8 %) children with egg allergies, respectively. The median times of peak symptoms were 50 min (10-210 min) and 120 min (30-560 min) (p = 0.001), and those of symptom disappearance were 90 min (30-240 min) and 180 min (80-700 min) for milk and eggs (p = 0.002), respectively. Based on the results of our study, symptoms developed within 30 min for only a subset of patients for eggs, and may even take upwards of 60 min to develop. The times of symptom disappearance were 90 min and 180 min for milk and eggs, respectively, indicating that egg-allergic patients should be observed for a longer period time than milk-allergic patients. Allergic reactions induced by milk appeared and disappeared sooner than those induced by eggs.

  1. Metal oxide nanoparticle mediated enhanced Raman scattering and its use in direct monitoring of interfacial chemical reactions.

    Science.gov (United States)

    Li, Li; Hutter, Tanya; Finnemore, Alexander S; Huang, Fu Min; Baumberg, Jeremy J; Elliott, Stephen R; Steiner, Ullrich; Mahajan, Sumeet

    2012-08-08

    Metal oxide nanoparticles (MONPs) have widespread usage across many disciplines, but monitoring molecular processes at their surfaces in situ has not been possible. Here we demonstrate that MONPs give highly enhanced (×10(4)) Raman scattering signals from molecules at the interface permitting direct monitoring of their reactions, when placed on top of flat metallic surfaces. Experiments with different metal oxide materials and molecules indicate that the enhancement is generic and operates at the single nanoparticle level. Simulations confirm that the amplification is principally electromagnetic and is a result of optical modulation of the underlying plasmonic metallic surface by MONPs, which act as scattering antennae and couple light into the confined region sandwiched by the underlying surface. Because of additional functionalities of metal oxides as magnetic, photoelectrochemical and catalytic materials, enhanced Raman scattering mediated by MONPs opens up significant opportunities in fundamental science, allowing direct tracking and understanding of application-specific transformations at such interfaces. We show a first example by monitoring the MONP-assisted photocatalytic decomposition reaction of an organic dye by individual nanoparticles.

  2. Density Functional Study of Chemical Reaction Equilibrium for Dimerization Reactions in Slit and Cylindrical Nanopores

    Czech Academy of Sciences Publication Activity Database

    Malijevský, Alexandr; Lísal, Martin

    2009-01-01

    Roč. 130, č. 16 (2009), 164713-1-24 ISSN 0021-9606 R&D Projects: GA ČR GA203/05/0725; GA AV ČR 1ET400720507; GA AV ČR KAN400720701 Institutional research plan: CEZ:AV0Z40720504 Keywords : density functional theory * reaction ensemble Monte Carlo * reaction equilibrium Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.093, year: 2009

  3. A density functional theory study on redox reaction of uranium

    International Nuclear Information System (INIS)

    Toraishi, T.; Kawaguchi, M.; Tsuneda, T.; Tanaka, S.; Nagasaki, S.

    2005-01-01

    Full text of publication follows: Redox reactions are key issues for predicting the migration behavior of actinides in the geosphere, and therefore the chemical processes have to be profoundly understood. However, redox reactions basically involve several elemental processes, and in many cases only limited chemical information can be obtained experimentally. A theoretical approach gives further information which never can be obtained by experiments, such as precise thermodynamic data or reaction pathways of very rapid charge transfer reactions. For this reason, ab initio MO calculations have been applied in the last 5-6 years to the elucidation of redox processes in the U(VI)-Fe(II) or U(VI)-U(IV) system [1- 3]. Those studies provided extremely important chemical information. Nevertheless, the 'huge' calculation costs of ab initio MO techniques now interfere with the extension of the calculation to the 'real' size system: In order to deal with the practically important chemical reactions such as the reduction of actinides at solid surfaces, a large chemical system involving many atoms (electrons) has to be treated. Present ab initio MO techniques at CASSCF, CASPT2 or MRCI level, however, do not allow to handle such a large systems because of the high calculation costs. Density functional theory (DFT) calculations should be also feasible for such systems. Nevertheless, there are very few reports on redox processes of actinides calculated by DFT. This fact was based on the argument that DFT could not treat charge transfer phenomena accurately since the two-electron exchange integral term is not explicitly involved [1-3]. However this is no longer correct: the long-range corrected (LC) energy function was recently developed, and now the charge transfer reaction can safely be calculated by DFT [4]. In the present work, we employ the DFT technique to treat the reduction of U(VI) to U(V) by Fe(II) via the bi-nuclear complex system, and confirm the applicability of the

  4. Innovation: study of 'ultra-short' time reactions

    International Nuclear Information System (INIS)

    Anon.

    2001-01-01

    This short article presents the new Elyse facility of Orsay-Paris 11 university for the study of ultra-short chemical and biochemical phenomena. Elyse uses the 'pump-probe' technique which consists in two perfectly synchronized electron and photon pulses. It comprises a 3 to 9 MeV electron accelerator with a HF gun photo-triggered with a laser. Elyse can initiate reactions using ultra-short electron pulses (radiolysis) or ultra-short photon pulses (photolysis). (J.S.)

  5. Quantum stereodynamics study for the reaction F + HD

    International Nuclear Information System (INIS)

    Yu-Fang, Liu; Wei, Zhang; De-Heng, Shi; Jin-Feng, Sun

    2009-01-01

    This paper studies the quantum stereodynamics of the F + HD(ν = 0,j = 0) → HD + F/HF + D reaction at the collision energies of 0.52 and 0.87 kcal/mol. The quantum scattering calculations, based on Stark–Werner potential energy surfaces, show that the differential cross sections for the HF(ν' = 2) + D and DF(ν' = 3) + H channels are consistent with the recent theoretical results. Furthermore, the product rotational angular momentum orientation and alignment have been determined for some selected rovibrational states of the HF + D and DF + H channels. (atomic and molecular physics)

  6. A new setup for the underground study of capture reactions

    CERN Document Server

    Casella, C; Lemut, A; Limata, B; Bemmerer, D; Bonetti, R; Broggini, C; Campajola, L; Cocconi, P; Corvisiero, P; Cruz, J; D'Onofrio, A; Formicola, A; Fülöp, Z; Gervino, G; Gialanella, L; Guglielmetti, A; Gustavino, C; Gyürky, G; Loiano, A; Imbriani, G; Jesus, A P; Junker, M; Musico, P; Ordine, A; Parodi, F; Parolin, M; Pinto, J V; Prati, P; Ribeiro, J P; Roca, V; Rogalla, D; Rolfs, C; Romano, M; Rossi-Alvarez, C; Rottura, A; Schuemann, F; Somorjai, E; Strieder, F; Terrasi, F; Trautvetter, H P; Vomiero, A; Zavatarelli, S

    2002-01-01

    For the study of astrophysically relevant capture reactions in the underground laboratory LUNA a new setup of high sensitivity has been implemented. The setup includes a windowless gas target, a 4 pi BGO summing crystal, and beam calorimeters. The setup has been recently used to measure the d(p,gamma) sup 3 He cross-section for the first time within its solar Gamow peak, i.e. down to 2.5 keV c.m. energy. The features of the optimized setup are described.

  7. Study of pp→ppη reaction at threshold

    International Nuclear Information System (INIS)

    Taleb, A.

    1994-11-01

    The η production has been studied through the pp → ppη reaction at threshold. Data were taken at the Synchrotron of the ''Laboratoire National Saturne''. The detection in coincidence of the two protons scattered near 0 deg and analysed with the magnetic spectrometer SPES3 allows the reconstruction of missing mass spectra for the η signature. A simulation program which takes into account all the experimental set up characteristics has been realized and tested through the pp → dπ + reaction detected simultaneously with pp → ppη. The generated proton momentum spectra for pp → ppη show a pronounced η mass dependence. This characteristic, connected to the kinematical properties of pp → ppη at threshold, is used to extract the mass of the meson η. The obtained value, m η = 547.65 ± 0.18 MeV, is in good agreement with measurement done recently through the pd → H eη reaction. The total cross section σ t of pp → ppη measured at 1260, 1265 and 1300 MeV presents a strong energy dependence. This cross section increases less with energy than the phase-space. The influence of p-p and η-p final state interactions in our measurements is studied. Our results are compared with theoretical predictions and assess the dominant character of the baryonic resonance N * (1535) in the η mechanism production at threshold. These experimental results give an energy dependence which is not well reproduced by the theoretical predictions. This discrepancy could be an incorrect description of the η-p interaction in the models. (author). 48 refs., 60 figs., 15 tabs

  8. 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

  9. Intolerance reaction after application of glucagon during double contrast studies

    International Nuclear Information System (INIS)

    Kainberger, F.; Fruehwald, F.; Schwaighofer, B.; Lindemayr, H.

    1986-01-01

    Whereas intolerance reactions against contrast media are a well-known hazard during radiologic procedures, intolerance reactions to other preparations used in radiology are rare. Glucagon, frequently used to induce gastrointestinal hypotonia, is said to have almost no side-effects. A case of anaphylactic reaction during double-contrast upper gastrointestinal examination is reported. Pseudoallergic reaction to propylparaben, a preservative agent in glucagon, is suspected. IgE-antibodies to glucagon could not be detected by RAST. (orig.) [de

  10. A computational study of pyrolysis reactions of lignin model compounds

    Science.gov (United States)

    Thomas Elder

    2010-01-01

    Enthalpies of reaction for the initial steps in the pyrolysis of lignin have been evaluated at the CBS-4m level of theory using fully substituted b-O-4 dilignols. Values for competing unimolecular decomposition reactions are consistent with results previously published for phenethyl phenyl ether models, but with lowered selectivity. Chain propagating reactions of free...

  11. Studies of isovector excitations in nuclei by neutron-induced reactions

    International Nuclear Information System (INIS)

    Nilsson, L.

    1987-01-01

    In this paper isovector excitations in nuclei, in particular the giant isovector quadrupole resonance in spherical nuclei, will be discussed. Several methods to investigate this excitation have been used, e.g. inelastic electron scattering and charge-exchange reactions. An alternative method to study isovector E2 resonances in nuclei, based on the radiative capture of fast neutrons, will be presented. Results from such experiments performed at the tandem accelerator laboratories in Los Alamos and Uppsala will be presented and discussed in terms of the direct-semidirect capture model. As a separate issue, the preparations being undertaken at Uppsala for studies of isovector excitations in nuclei by means of the (n,p) reaction will be described. A schematic lay-out of the experiment will be presented together with some relevant neutron beam parameters. Among isovector excitations to be studied by this method are the isovector monopole resonance and the Gamow-Teller resonance. 54 references, 6 figures, 1 table

  12. Substrate dependent reaction channels of the Wolff–Kishner reduction reaction: A theoretical study

    Directory of Open Access Journals (Sweden)

    Shinichi Yamabe

    2014-01-01

    Full Text Available Wolff–Kishner reduction reactions were investigated by DFT calculations for the first time. B3LYP/6-311+G(d,p SCRF=(PCM, solvent = 1,2-ethanediol optimizations were carried out. To investigate the role of the base catalyst, the base-free reaction was examined by the use of acetone, hydrazine (H2N–NH2 and (H2O8. A ready reaction channel of acetone → acetone hydrazine (Me2C=N–NH2 was obtained. The channel involves two likely proton-transfer routes. However, it was found that the base-free reaction was unlikely at the N2 extrusion step from the isopropyl diimine intermediate (Me2C(H–N=N–H. Two base-catalyzed reactions were investigated by models of the ketone, H2N–NH2 and OH−(H2O7. Here, ketones are acetone and acetophenone. While routes of the ketone → hydrazone → diimine are similar, those from the diimines are different. From the isopropyl diimine, the N2 extrusion and the C–H bond formation takes place concomitantly. The concomitance leads to the propane product concertedly. From the (1-phenylethyl substituted diimine, a carbanion intermediate is formed. The para carbon of the phenyl ring of the anion is subject to the protonation, which leads to a 3-ethylidene-1,4-cyclohexadiene intermediate. Its [1,5]-hydrogen migration gives the ethylbenzene product. For both ketone substrates, the diimines undergoing E2 reactions were found to be key intermediates.

  13. Direct measurements of OH and other product yields from the HO2  + CH3C(OO2 reaction

    Directory of Open Access Journals (Sweden)

    F. A. F. Winiberg

    2016-03-01

    Full Text Available The reaction CH3C(OO2 + HO2  →  CH3C(OOOH + O2 (Reaction R5a, CH3C(OOH + O3 (Reaction R5b, CH3 + CO2 + OH + O2 (Reaction R5c was studied in a series of experiments conducted at 1000 mbar and (293 ± 2 K in the HIRAC simulation chamber. For the first time, products, (CH3C(OOOH, CH3C(OOH, O3 and OH from all three branching pathways of the reaction have been detected directly and simultaneously. Measurements of radical precursors (CH3OH, CH3CHO, HO2 and some secondary products HCHO and HCOOH further constrained the system. Fitting a comprehensive model to the experimental data, obtained over a range of conditions, determined the branching ratios α(R5a  =  0.37 ± 0.10, α(R5b =  0.12 ± 0.04 and α(R5c =  0.51 ± 0.12 (errors at 2σ level. Improved measurement/model agreement was achieved using k(R5  =  (2.4 ± 0.4  ×  10−11 cm3 molecule−1 s−1, which is within the large uncertainty of the current IUPAC and JPL recommended rate coefficients for the title reaction. The rate coefficient and branching ratios are in good agreement with a recent study performed by Groß et al. (2014b; taken together, these two studies show that the rate of OH regeneration through Reaction (R5 is more rapid than previously thought. GEOS-Chem has been used to assess the implications of the revised rate coefficients and branching ratios; the modelling shows an enhancement of up to 5 % in OH concentrations in tropical rainforest areas and increases of up to 10 % at altitudes of 6–8 km above the equator, compared to calculations based on the IUPAC recommended rate coefficient and yield. The enhanced rate of acetylperoxy consumption significantly reduces PAN in remote regions (up to 30 % with commensurate reductions in background NOx.

  14. Molecular typing for blood group antigens within 40 min by direct polymerase chain reaction from plasma or serum.

    Science.gov (United States)

    Wagner, Franz F; Flegel, Willy A; Bittner, Rita; Döscher, Andrea

    2017-03-01

    Determining blood group antigens by serological methods may be unreliable in certain situations, such as in patients after chronic or massive transfusion. Red cell genotyping offers a complementary approach, but current methods may take much longer than conventional serological typing, limiting their utility in urgent situations. To narrow this gap, we devised a rapid method using direct polymerase chain reaction (PCR) amplification while avoiding the DNA extraction step. DNA was amplified by PCR directly from plasma or serum of blood donors followed by a melting curve analysis in a capillary rapid-cycle PCR assay. We evaluated the single nucleotide polymorphisms underlying the clinically relevant Fy a , Fy b , Jk a and Jk b antigens, with our analysis being completed within 40 min of receiving a plasma or serum sample. The positive predictive value was 100% and the negative predictive value at least 84%. Direct PCR with melting point analysis allowed faster red cell genotyping to predict blood group antigens than any previous molecular method. Our assay may be used as a screening tool with subsequent confirmatory testing, within the limitations of the false-negative rate. With fast turnaround times, the rapid-cycle PCR assay may eventually be developed and applied to red cell genotyping in the hospital setting. © 2016 John Wiley & Sons Ltd.

  15. Study of the reaction of astrophysical interest 60Fe(n,γ)61Fe via (d,pγ) transfer reaction

    International Nuclear Information System (INIS)

    Giron, S.

    2011-12-01

    60 Fe is of special interest in nuclear astrophysics. Indeed the recent observations of 60 Fe characteristic gamma-ray lines by the RHESSI and INTEGRAL spacecrafts allowed to measure the total flux of 60 Fe over the Galaxy. Moreover the observation in presolar grains of an excess of the daughter-nuclei of 60 Fe, 60 Ni, gives constraints on the conditions of formation of the early solar system. However, the cross-sections of some reactions involved in 60 Fe nucleosynthesis and included to stellar models are still uncertain. The destruction reaction of 60 Fe, 60 Fe(n, γ) 61 Fe, is one of them. The total cross-section can be separate into two contributions: the direct one, involving states below the neutron separation threshold of 61 Fe, and the resonant one.We improved 61 Fe spectroscopy in order to evaluate the direct capture part of the 60 Fe(n, γ) 61 Fe reaction cross-section. 60 Fe(n, γ) 61 Fe was thus studied via d( 60 Fe, pγ) 61 Fe transfer reaction with the CATS/MUST2/EXOGAM setup at LISE-GANIL. DWBA analysis of experimental proton differential cross-sections allowed to extract orbital angular momentum and spectroscopic factors of different populated states identified below the neutron threshold. A comparison of experimental results for 61 Fe with experimental results for similar nuclei and with shell-model calculations was also performed. (author) [fr

  16. The human sunburn reaction: histologic and biochemical studies

    International Nuclear Information System (INIS)

    Gilchrest, B.A.; Soter, N.A.; Stoff, J.S.; Mihm, M.C. Jr.

    1981-01-01

    The ultraviolet-induced erythema reaction was investigated histologically and biochemically in four subjects, utilizing suction blister aspirates, analyzed for histamine and prostaglandin E2 (PGE2), and Epon-embedded 1-mu skin biopsy sections from control skin and from irradiated skin at intervals for 72 hours after exposure to a Hanovia lamp. Major histologic alterations in the epidermis included dyskeratotic and vacuolated keratinocytes (sunburn cells), and disappearance of Langerhans cells. In the dermis the major changes were vascular, involving both the superficial and deep venular plexuses. Endothelial cell enlargement was first apparent within 30 minutes of irradiation, peaked at 24 hours, and persisted throughout the 72-hour study period. Mast cell degranulation and associated perivenular edema were first apparent at 1 hour and striking at the onset of erythema, 3 to 4 hours postirradiation; edema was absent and mast cells were again normal in number and granule content at 24 hours. Histamine levels rose approximately fourfold above control values immediately after the onset of erythema and returned to baseline within 24 hours. PGE2 levels were statistically elevated even before the onset of erythema and reached approximately 150% of the control value at 24 hours. These data provide the first evidence that histamine may mediate the early phase of the human sunburn reaction and increase our understanding of its complex histologic and biochemical sequelae

  17. Studies of high energy hadron-hadron reactions

    International Nuclear Information System (INIS)

    Maansson, O.

    1982-01-01

    The first part of this thesis concerns the possibility of obtaining a quantity that reveals more of the primary scattering of partons, than the single particle spectra for high-p(sub)T reactions. K -K is shown to be such a quantity for 90degree scattering. A p(sub)T-dependence of P(sub)t(sup)-5.4 is data from FNAL and ISR. A model for low-p(sub)T baryon production is presented. This one-dimensional string model gives longitudinal single particle spectra in good agreement with exp. data. A model for polarization of inclusively produced hyperons is presented. A baryon is pictured as a Y-shaped string with quarks at the ends. One of the quarks is kicked out in the reaction, leading to a basically one-dim. string system. The motion of the string junction is shown to be important for the understanding of polarization phenomena. Lowest order QCD is studied with respect to color factors in the production amplitude in order to find final string configurations in high-p(sub)T events. The basis for a Monte Carlo program for complete high-p(sub)T events is discussed. (author)

  18. Experiments on the nuclear fragmentation and on the production of radioactive beams for direct reactions

    International Nuclear Information System (INIS)

    Weiss, A.

    1993-06-01

    In April 1992 at the GSI a prototype experiment on the production and study of the double-magic radioactive nucleus 56 Ni was successfully performed with proton scattering in inverse kinematics. A 350 MeV/u 56 Ni primary beam from the heavy ion synchrotron SIS was fragmented in a 4/g/cm 2 thick beryllium target. The separation of the formed isotopes ensued in the fragment separator FRS, which was operated in the achromatic mode with a degrader. Production cross sections for a whole series of fragments in the range 29≥Z≥19 and 57≥A≥41 were obtained. It succeeded to detect proton-rich isotopes at the boundary of the stability as for instance 52 Co, 51 Co, 50 Co, or 52 Ni and to determine for the first time their production cross sections. A further part of this thesis with regard to experiments with radioactive beams were first test experiments at the experimental storage ring ESR. The spotlight held luminosity measurements at the internal gas target with cooled, stable proton beam. For this the elastic scattering was stuided in inverse kinematics in the Rutherford range. Studied were different projectile beams (Ne, Xe) at energies of 150 MeV/u respectively 250 MeV/u and gas jets of nitrogen, argon, and hydrogen. The measured energy spectra of the recoils are in agreement with simulation calculations

  19. High temperature synthesis of ceramic composition by directed reaction of molten titanium or zirconium with boron carbide

    International Nuclear Information System (INIS)

    Johnson, W.B.

    1990-01-01

    Alternative methods of producing ceramics and ceramic composites include sintering, hot pressing and more recently hot isostatic pressing (HIP) and self-propagating high temperature synthesis (SHS). Though each of these techniques has its advantages, each suffers from several restrictions as well. Sintering may require long times at high temperatures and for most materials requires sintering aids to get full density. These additives can, and generally do, change (often degrade) the properties of the ceramic. Hot pressing and hot isostatic pressing are convenient methods to quickly prepare samples of some materials to full density, but generally are expensive and may damage some types of reinforcements during densification. This paper focuses on the preparation and processing of composites prepared by the directed reaction of molten titanium or zirconium with boron carbide. Advantages and disadvantages of this approach when compared to traditional methods are discussed, with reference to specific examples. Examples of microstructure are properties of these materials are reported

  20. In situ NMR studies of reactions on catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Haw, James F [Texas A and M Univ., College Station, TX (United States). Dept. of Chemistry

    1994-12-31

    Zeolites are useful in the synthesis of fine chemicals. The systematic understanding of organic chemistry of zeolite catalysis may contribute to: the elucidation of reaction mechanisms of existing catalytic processes; the discovery of new catalytic reactions; the application of zeolite catalysis to the synthesis of fine chemicals. This work presents species of zeolites identified by in situ NMR; reactions of organic chemicals on zeolites and proposes mechanisms as well as reactivity trends 3 refs., 7 tabs.

  1. Studies of nuclear structure in antinucleon charge-exchange reactions

    International Nuclear Information System (INIS)

    Auerbach, N.

    1986-01-01

    The antinucleon-nucleus charge exchange reaction is discussed an its use as a probe of isovector excitations in nuclei is described. Attention is drawn to the fact that the (anti p,anti n) reaction will predominantly excite ''pionic'' (i.e., longitudinal spin) modes in nuclei. Comparison between (anti p,anti n) and (n,p) reactions is made. Plans for (anti p,anti n) experiments in the near future are mentioned. 21 refs., 3 figs

  2. Studies Of The (n, γ) Reaction With A Neutron Monochromator

    Energy Technology Data Exchange (ETDEWEB)

    Kane, W. R.; Gardner, D.; Brown, T.; Kevey, A.; Mateosian, E. der; Emery, G. T.; Gelletly, W.; Mariscotti, M. A.J. [Brookhaven National Laboratory, Upton, Long Island, NY (United States); Schröder, I. [National Bureau of Standards, Washington, DC (United States)

    1969-11-15

    A crystal diffraction neutron monochromator has been constructed specifically for studies of the(n, γ) reaction. This equipment plays a complementary role to that of time-of-flight devices in providing a neutron beam with a full duty cycle at a given energy. This feature and the small target size, large geometrical efficiency for y-ray detection, and negligible fast neutron background afford advantages for certain classes of experiments. The useful energy range extends from 0.01 to 20 eV. Novel features of the equipment include a complete reliance upon precision angle encoders for setting arm and crystal angles, the employment of a liquid shield to facilitate the extraction of the diffracted neutron beam, and the use of air bearings to provide for the motion of the target, detection devices, and associated shielding. Results obtained on low energy resonances of {sup 139}La, {sup 189}Os, and {sup 235}U will be presented. (author)

  3. Exploratory study of nuclear reaction data utility framework of Japan charged particle reaction data group (JCPRG)

    International Nuclear Information System (INIS)

    Masui, Hiroshi; Ohnishi, Akira; Kato, Kiyoshi; Ohbayasi, Yosihide; Aoyama, Shigeyoshi; Chiba, Masaki

    2002-01-01

    Compilation, evaluation and dissemination are essential pieces of work for the nuclear data activities. We, Japan charged particle data group, have researched the utility framework for the nuclear reaction data on the basis of recent progress of computer and network technologies. These technologies will be not only for the data dissemination but for the compilation and evaluation assistance among the many corresponding researchers of all over the world. In this paper, current progress of our research and development is shown. (author)

  4. Directional errors of movements and their correction in a discrete tracking task. [pilot reaction time and sensorimotor performance

    Science.gov (United States)

    Jaeger, R. J.; Agarwal, G. C.; Gottlieb, G. L.

    1978-01-01

    Subjects can correct their own errors of movement more quickly than they can react to external stimuli by using three general categories of feedback: (1) knowledge of results, primarily visually mediated; (2) proprioceptive or kinaesthetic such as from muscle spindles and joint receptors, and (3) corollary discharge or efference copy within the central nervous system. The effects of these feedbacks on simple reaction time, choice reaction time, and error correction time were studied in four normal human subjects. The movement used was plantarflexion and dorsiflexion of the ankle joint. The feedback loops were modified, by changing the sign of the visual display to alter the subject's perception of results, and by applying vibration at 100 Hz simultaneously to both the agonist and antagonist muscles of the ankle joint. The central processing was interfered with when the subjects were given moderate doses of alcohol (blood alcohol concentration levels of up to 0.07%). Vibration and alcohol increase both the simple and choice reaction times but not the error correction time.

  5. Direct detection of OH formation in the reactions of HO2 with CH3C(OO2 and other substituted peroxy radicals

    Directory of Open Access Journals (Sweden)

    J. N. Crowley

    2008-08-01

    Full Text Available This work details the first direct observation of OH as a product from (R1: HO2+CH3C(OO2→(products, which has generally been considered an atmospheric radical termination process. The technique of pulsed laser photolysis radical generation, coupled to calibrated laser induced fluorescence detection was used to measure an OH product yield for (R1 of α1(298 K=(0.5±0.2. This study of (R1 included the measurement of a rate coefficient k1(298 K=(1.4±0.5×10−11cm3 molecule−1 s−1, substantially reducing the uncertainties in modelling this important atmospheric reaction. OH was also detected as a product from the reactions of HO2 with three other carbonyl-containing peroxy radicals, albeit at smaller yield, e.g. (R2: HO2+CH3C(OCH2O2→(products, α2≈0.15. By contrast, OH was not observed (α<0.06 as a major product from reactions where carbonyl functionality was absent, e.g. HO2+HOCH2CH2O2 (R8, and HO2+CH3CH(OHCH2O2 (R9.

  6. Studies of (n,t) reactions on light nuclei

    International Nuclear Information System (INIS)

    Suhaimi, A.

    1988-04-01

    Cross Sections were measured with uncertainties of 13 to 21% for the reactions 9 Be(n,t)L 7 Li, 10 B(n,t)2α and 14 N(n,t) 12 C over various energy ranges. Irradiations were performed with thermal neutrons and neutrons produced via the reactions 2 H(d,n) 3 He and 9 Be(d,n) 10 B. The tritium produced and accumulated in the irradiated samples was separated by vacuum extraction and measured in the gas phase using anticoincidence β - counting. The residual tritium content was determined for the enriched 10 B and AlN samples. The characteristics of tritium diffusion in B 4 C were studied by high-temperature release experiments. The Li impurity in the AlN sample was determined via neutron activation analysis. The average 9 Be(n,t) 7 Li cross sections lie between 3 and 14 mb for break-up neutrons produced by 17.5 to 31.0 MeV deuterons on a thick Be target. A comparison of the measured data with the values deduced from differential data and neutron spectral distributions shows agreement within ± 21%. The 10 B(n,t)2α cross sections in the neutron energy range of 0.025 eV to 10.6 MeV lie between 12 and 215 mb (with the maximum at about 5.5 MeV). The 14 N(n,t) 12 C cross sections in the neutron energy range of 5.0 to 10.6 MeV lie between 11 and 30 mb. The excitation function shows a fluctuation which is attributed to the decay properties of the compound nucleus 15 N. Detailed Hauser-Feshbach calculations show that the statistical model cannot satisfactorily describe the (n,t) cross section on light nuclei. (orig.)

  7. Study of the reactions psi' → γγpsi

    International Nuclear Information System (INIS)

    Oreglia, M.J.

    1980-12-01

    A large solid angle array (the Crystal Ball detector) of NaI(Tl) crystals, together with spark and multiwire proportional chambers for charged particle tracking, is used to study the decays of the psi' meson. Cascade reactions of the form psi' → γchi, chi → γpsi, psi → (e + e - or μ + μ - ) are used in this experiment to observe the intermediate chi states and to measure their spin by analyzing the angular correlations among the final-state particles. In addition, the multipole coefficients describing the individual radiative transitions are measured using the angular correlations. Values of J = 2 and J = 1 are obtained for the chi states with masses of 3.55 and 3.51 GeV, respectively. Radiative transitions to and from the chi states are found to be dominantly E1 in nature. The well-established J = 0 chi(3.41) state is observed in a cascade reaction, with a branching ratio BR(psi' → γchi → γγpsi) = (0.06 +- 0.02 +- 0.01)%; the first error describes uncertainties arising from statistics and acceptance corrections, while the second error is systematic. Branching ratios of (1.26 +- 0.08 +- 0.20)% for chi(3.55) and (2.38 +- 0.12 +- 0.38)% for chi(3.51) are consistent with those obtained in previous experiments. Natural line-widths of (4 +- 1) MeV for chi(3.55) and a full width consistent with the resolution of the apparatus for chi(3.51) are obtained

  8. The study of reactions influencing the biomass steam gasification process

    Energy Technology Data Exchange (ETDEWEB)

    C. Franco; F. Pinto; I. Gulyurtlu; I. Cabrita [INETI-DEECA, Lisbon (Portugal)

    2003-05-01

    Steam gasification studies were carried out in an atmospheric fluidised bed. The gasifier was operated over a temperature range of 700 900{sup o}C whilst varying a steam/biomass ratio from 0.4 to 0.85 w/w. Three types of forestry biomass were studied: Pinus pinaster (softwood), Eucalyptus globulus and holm-oak (hardwood). The energy conversion, gas composition, higher heating value and gas yields were determined and correlated with temperature, steam/biomass ratio, and species of biomass used. The results obtained seemed to suggest that the operating conditions were optimised for a gasification temperature around 830{sup o}C and a steam/biomass ratio of 0.6 0.7 w/w, because a gas richer in hydrogen and poorer in hydrocarbons and tars was produced. These conditions also favoured greater energy and carbon conversions, as well the gas yield. The main objective of the present work was to determine what reactions were dominant within the operation limits of experimental parameters studied and what was the effect of biomass type on the gasification process. As biomass wastes usually have a problem of availability because of seasonal variations, this work analysed the possibility of replacing one biomass species by another, without altering the gas quality obtained. 19 refs., 8 figs. 2 tabs.

  9. Direct asymmetric vinylogous aldol reaction of allyl ketones with isatins: Divergent synthesis of 3-hydroxy-2-oxindole derivatives

    KAUST Repository

    Zhu, Bo

    2013-05-03

    6 in 1: The highly enantioselective title reaction is mediated by a bifunctional catalyst and leads to E-configured vinylogous aldol products (see scheme). These products are used as common intermediates in the synthesis of six biologically active 3-hydroxy-2-oxindole derivatives (e.g., CPC-1). Computational studies indicated that the observed stereoselectivity is a result of favorable secondary π-π* and H-bonding interactions in the transition state. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. The transient reaction characteristic of piperonal and anthraquinone derivative: a pulse radiolytic study

    International Nuclear Information System (INIS)

    Ma Jianhua; Lin Weizhen; Wang Wenfeng; Yao Side

    2006-01-01

    Piperonal belongs to naturally organic compound and anthraquinone-2-sulfate is a important anthraquinone derivative. In this work, the transient reaction characteristic of piperonal and anthraquinone derivative has been investigated. The transient absorption spectra of the product from electron transfer reaction between piperonal and anthraquinone-2-sulfate was obtained, the electron transfer between electron donor and acceptor was observed directly. (authors)

  11. Optimization studies concerning the direct nucleophilic fluorination of butyrophenone neuroleptics

    Energy Technology Data Exchange (ETDEWEB)

    Katsifis, A; Hamacher, K; Schnitter, J; Stoecklin, G [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Chemie 1 - Nuklearchemie

    1993-07-01

    Based on the direct nucleophilic aromatic substitution described previously for [[sup 18]F]N-methylspiperone the butyrophenone neuroleptics benperidol, droperidol, fluanisone and haloperidol were labelled with fluorine-18. The n.c.a. aromatic nucleophilic NO[sub 2] [yields] [sup 18]F substitution takes place in the presence of the moderately basic cryptate system consisting of Kryptofix 2.2.2., potassium oxalate and potassium carbonate. The one step labeling reaction was performed in different solvents and is equally successful in dimethylsulfoxide, dimethylformamide or dimethylacetamide yielding 25-35% (EOS) within a reaction time of 5-30 min in the range of 140-160[sup o]C at analytical activity levels. (author).

  12. Microscopic study on dynamic barrier in fusion reactions

    International Nuclear Information System (INIS)

    Wu Xizhen; Tian Junlong; Zhao Kai; Li Zhuxia; Wang Ning

    2004-01-01

    The authors briefly review the fusion process of very heavy nuclear systems and some theoretical models. The authors propose a microscopic transport dynamic model, i.e. the Improved Quantum Molecular Dynamic model, for describing fusion reactions of heavy systems, in which the dynamical behavior of the fusion barrier in heavy fusion systems has been studied firstly. The authors find that with the incident energy decreasing the lowest dynamic barrier is obtained which approaches to the adiabatic static barrier and with increase of the incident energy the dynamic barrier goes up to the diabatic static barrier. The authors also indicate that how the dynamical fusion barrier is correlated with the development of the configuration of fusion partners along the fusion path. Associating the single-particle potentials obtained at different stages of fusion with the Two Center Shell Model, authors can study the time evolution of the single particle states of fusion system in configuration space of single particle orbits along the fusion path. (author)

  13. Theoretical study of reactions at the electrode-electrolyte interface

    International Nuclear Information System (INIS)

    Halley, J.W.

    1994-01-01

    Electron transfer rates are predicted by numerical methods, in collaboration with ANL. Emphasis is on electron transfer involving ions known to be important in enhancing stress corrosion cracking in light water reactors and on electron transfer at oxide surfaces. We have completed studies of the ferrous-ferric electron transfer rate in which effects of electric field, entropic effects in the free energy and quantum effects are included for the first time in the calculation of the rate of an electrochemical (heterogeneous) reaction rate. These new results confirm assumptions made in earlier calculations. The ferric ion has been modelled in a dissociable polarizable model showing the six-fold coordination of this ion in aqueous solution is stabilized by the three body interactions arising from the polarizability of water. In our studies of oxides, we have completed a Hartree self consistent calculation of the electronic structure of fayalite. The calculation utilizes a new method which takes phenomenological account of local electron correlations which have plagued electronic structure calculations of oxides for a long time. No electronic structure calculation of fayalite has been previously reported to our knowledge. Similar methods have been used to calculate the electronic structure of a vacancy in rutile (TiO 2 ). Results show that the screening donor electrons are anisotropically distributed around the vacancy

  14. Studies on the runaway reaction of ABS polymerization process

    International Nuclear Information System (INIS)

    Hu, K.-H.; Kao, C.-S.; Duh, Y.-S.

    2008-01-01

    Taiwan has the largest acrylonitrile-butadiene-styrene (ABS) copolymer production in the world. Preventing on unexpected exothermic reactions and related emergency relief hazard is essential in the safety control of ABS emulsion polymerization. A VSP2 (Vent Sizing Package 2) apparatus is capable of studying both normal and abnormal conditions (e.g., cooling failure, mischarge, etc.) of industrial process. In this study, the scenarios were verified from the following abnormal conditions: loss of cooling, double charge of initiator, overcharge of monomer, without charge of solvent, and external fire. An external fire with constant heating will promote higher self-heat rate and this is recommended as the worst case scenario of emulsion polymerization on butadiene. Cooling failure coupled with bulk system of reactant was determined to be the credible worst case in ABS emulsion polymerization. Finally, the emergency vent sizing based on thermokinetics from VSP associated with DIERS methodology were used for evaluating the vent sizing and compared to that of the industrial plants

  15. Nuclear structure and reaction studies at medium energies

    International Nuclear Information System (INIS)

    Hoffmann, G.W.; Ray, R.L.

    1990-10-01

    This document constitutes the (1988--1991) technical progress report for the ongoing medium energy physics research program supported by the US Department of Energy through special Research Grant FG05-88ER40444. The experiments discussed are conducted at the Los Alamos National Laboratory's (LANL) Clinton P. Anderson Meson Physics Facility (LAMPF), the Alternating Gradient Synchrotron (AGS) facility of the Brookhaven National Laboratory (BNL), and at the Fermi National Accelerator Laboratory (FNAL). The overall motivation for the work discussed in this document is driven by three main objectives: (1) provide hadron-nucleon and hadron-nucleus scattering data which serve to facilitate the study of effective two-body interactions, test (and possibly determine) nuclear structure, and help study reaction mechanisms and dynamics;(2) provide unique, first-of-a-kind ''exploratory'' hadron-nucleus scattering data in the hope that such data will lead to discovery of new phenomena and new physics; and (3) perform precision tests of fundamental interactions, such as rare decay searches, whose observation would imply fundamental new physics

  16. Reaction mechanism study of 7Li(7Li,6He) reaction at above ...

    Indian Academy of Sciences (India)

    The elastic scattering and the 6He angular distributions were measured in ... lithium nuclei at energies close to and far above the Coulomb barrier [1–6]. ... was fixed at 20◦ with respect to the beam direction for monitoring the beam quality ..... two-step sequential transfer calculations were performed in the framework of the.

  17. Studies on the reaction of nitric acid and sugar

    International Nuclear Information System (INIS)

    MacDougall, C.S.; Bayne, C.K.; Roberson, R.B.

    1982-01-01

    The design of vessels and off-gas systems for denitrating acidic radioactive process solutions by reacting nitric acid with sugar requires a fairly accurate determination of the rate of the controlling step. Therefore, the reaction of sugar with concentrated nitric acid was closely examined at temperatures of 100 and 110 0 C and in the presence of low levels of iron )0 to 0.2 M Fe(III)). Efficiencies of the sugar destruction by nitric acid ranged from 2.56 to 2.93 mol of acid consumed per mole of carbon added. Product off-gases were examined throughout the reaction. Release of CO was fairly constant throughout the reaction, but amounts of CO 2 increased as the nitric acid began to attack the terminal carboxylic acids produced from the consumption of sucrose. Voluminous quantities of NO 2 were released at the beginning of the reaction, but larger relative concentrations of NO were observed toward the end

  18. Study of isotopic exchange reactions of azidothymidine with tritium

    International Nuclear Information System (INIS)

    Sidorov, G.V.; Zverkov, Yu.B.; Myasoedov, N.F.

    2003-01-01

    Different reactions of isotopic exchange of azidothymidine (3 - azido-3 - desoxythymidine) with tritium, such as solid- and liquid-phase catalytic isotopic exchange with gaseous tritium and isotopic exchange in solution with tritium water, are investigated. It is determined that catalytic reactions of azidothymidine with gaseous tritium in solution lead to practically full reduction of azido group up to amino group. In reactions of solid-phase catalytic hydrogenation this process takes place too and 3 - azido-3 - desoxythymidine yield is from 20 to 70 %. Molar radioactivity of labelled with tritium azidothymidine prepared in reactions of solid-phase catalytic isotopic exchange with gaseous tritium and so by isotopic exchange in solution with tritium water does not exceed 0.5 Cu/mmol [ru

  19. A study on the hierarchy model of nuclear reactions

    International Nuclear Information System (INIS)

    Kitazoe, Yasuhiro; Sekiya, Tamotsu

    1975-01-01

    The application of the hierarchy model of nuclear reaction is discussed, and the hierarchy model means that the compound nucleus state is formed after several steps, at least, one step of reaction. This model was applied to the analysis of the observed cross sections of 235 U and some other elements. Neglecting exchange scattering effect, the equations for the total neutron cross section of 235 U were obtained. One of these equations describes explicitly the hierarchy of the transition from intermediate reaction state Xm into the compound nucleus state Xs, and another one describes the cross section averaged over an energy interval larger than the average level spacing of compound nucleus eigenvalues. The hierarchy of reaction mechanism was investigated in more detail, and the hierarchy model was applied to the case of unresolved energy region. It was not tried to evaluate the strength function in the mass region (A>140), since the effect of nuclear deformation was neglected in the task. (Iwase, T.)

  20. Reaction selectivity studies on nanolithographically-fabricated platinum model catalyst arrays

    Energy Technology Data Exchange (ETDEWEB)

    Grunes, Jeffrey Benjamin [Univ. of California, Berkeley, CA (United States)

    2004-05-01

    In an effort to understand the molecular ingredients of catalytic activity and selectivity toward the end of tuning a catalyst for 100% selectivity, advanced nanolithography techniques were developed and utilized to fabricate well-ordered two-dimensional model catalyst arrays of metal nanostructures on an oxide support for the investigation of reaction selectivity. In-situ and ex-situ surface science techniques were coupled with catalytic reaction data to characterize the molecular structure of the catalyst systems and gain insight into hydrocarbon conversion in heterogeneous catalysis. Through systematic variation of catalyst parameters (size, spacing, structure, and oxide support) and catalytic reaction conditions (hydrocarbon chain length, temperature, pressures, and gas composition), the data presented in this dissertation demonstrate the ability to direct a reaction by rationally adjusting, through precise control, the design of the catalyst system. Electron beam lithography (EBL) was employed to create platinum nanoparticles on an alumina (Al2O3) support. The Pt nanoparticle spacing (100-150-nm interparticle distance) was varied in these samples, and they were characterized using x-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), scanning electron microscopy (SEM), and atomic force microscopy (AFM), both before and after reactions. The TEM studies showed the 28-nm Pt nanoparticles with 100 and 150-nm interparticle spacing on alumina to be polycrystalline in nature, with crystalline sizes of 3-5 nm. The nanoparticle crystallites increased significantly after heat treatment. The nanoparticles were still mostly polycrystalline in nature, with 2-3 domains. The 28-nm Pt nanoparticles deposited on alumina were removed by the AFM tip in contact mode with a normal force of approximately 30 nN. After heat treatment at 500 C in vacuum for 3 hours, the AFM tip, even at 4000 nN, could not remove the platinum

  1. Kinetic calorimetry in the study of the mechanism of low-temperature chemical reactions

    Science.gov (United States)

    Barkalov, I. M.; Kiryukhin, D. P.

    Chemical reactions are always followed by a change in the reacting system enthalpy, hence, calorimetry as a method of enthalpy and heat capacity measuring is a universal and, sometimes, even the only possible way of studying chemical reaction kinetics. Throughout its long history, the calorimeter, having preserved the positions of the main method of thermodynamic studies, has conquered a new field of application: that of kinetic study of chemical reactions. The advantages and disadvantages of the kinetic calorimeter are now obvious. First, the advantages are: (1) the possibility of measuring the rate of a chemical reaction without any special requirements being imposed on the reaction medium (solid, viscous, multicomponent systems); (2) the high efficiency: a large volume of kinetic information in one experiment and a non-destructive character of changes; (3) the possibility of measuring directly in the field of ionizing radiation (γ-radiation, accelerated electrons) and light; and (4) recording of the chemical conversion directly at the time of its occurrence. The disadvantages of this method are: (1) the high inertia of standard calorimeter systems (τC⋍102-103S), which restricts the possibilities of studying fast processes; and (2) the complexity of the correct organization of the calorimeter experiment when the parameters of the process are changed (overheating in the sample, conversion of the process to explosive and auto wave regimens). One of the oldest and most universal methods of studying the mechanism of chemical reactions, calorimetry, is now passing through a period of turbulent development due to the advances in electronics and computerization. The wide variety of types of calorimeter set-ups and the large assortment of measurement schemes in the currently described methods complicate the experimental selection of the necessary instrument rather than facilitate it. The basic principles of the method, the types of calorimeters, and the measuring

  2. Redox reactions of methylene blue: a pulse radiolysis study

    International Nuclear Information System (INIS)

    Kishore, K.; Guha, S.N.; Mahadevan, J.; Moorthy, P.N.; Mittal, J.P.

    1989-01-01

    One-electron oxidation of methylene blue (MB - has been studied using specific oxidizing radicals such as Cl 2 - , Br 2 - , N 3 and Tl(II) in acidic and neutral aqueous solutions). The transient spectrum showed absorption maxima at 525 nm and 360 nm in the acidic pH region. At neutral pH also the absorption maxima were at 525 and 360 nm but the extinction coefficients were lower by 30%. A pK a of ∼4.3 was observed for the equilibrium MBH 3+ MB 2+ + H + . In the case of N 3 radical as the oxidant, the equilibrium: N 3 + MB = N 3 - + MB 2+ was observed for which an equilibrium constant of 120 was estimated from the experimental data. From this as well as from cyclic voltammetric experiments, the redox potential for the MB 2+ /MB + couple was calculated as 1.25 V vs NHE. The transient species produced by the reaction of OH radicals with methylene blue gave a very different spectrum with λ m = 400nm and a pK a of ∼ 8.6, and hence it is inferred that OH radicals do not bring about one-electron oxidation of the molecule. (author)

  3. Mechanistic studies on the reaction of 0-phthaladehyde

    International Nuclear Information System (INIS)

    Maliha, B.; Siddiqui, H.L.; Hussain, I.; Ilyas, M.

    2009-01-01

    Urea and its N-alkyl/aryl derivatives react with o-phthalaldehyde (OPT A) to yield blue to purple coloration along-with isoindoline compounds (VII a,b,c) in acidic media. The color is unstable and changes into various shades with the passage of the time. The assay of urea which entirely depends upon this color does not suggest its determination with OPTA present in biological and non-biological fluids. Moreover, it is found that compounds which enhance color stability have nothing to do with determination of urea. The structures of isoindolines (VII a,b,c) have been confirmed by IH-, 13C-NMR and mass spectrometry techniques. The absolute authenticity comes from their (VII a,b,c) X-ray crystallography. The colors resulting from the said reactions fall in between 585-595 nm in UV/VIS spectra. As the use of OPTA for urea determination is known, hence, in this study, we are presenting chemistry for urea determination with OPTA. (author)

  4. A Comparative Study of Simple Auditory Reaction Time in Blind (Congenitally) and Sighted Subjects

    OpenAIRE

    Gandhi, Pritesh Hariprasad; Gokhale, Pradnya A.; Mehta, H. B.; Shah, C. J.

    2013-01-01

    Background: Reaction time is the time interval between the application of a stimulus and the appearance of appropriate voluntary response by a subject. It involves stimulus processing, decision making, and response programming. Reaction time study has been popular due to their implication in sports physiology. Reaction time has been widely studied as its practical implications may be of great consequence e.g., a slower than normal reaction time while driving can have grave results. Objective:...

  5. MoS2 nanosheets direct supported on reduced graphene oxide: An advanced electrocatalyst for hydrogen evolution reaction.

    Directory of Open Access Journals (Sweden)

    Jiamu Cao

    Full Text Available Molybdenum disulfide nanosheets/reduced graphene oxide (MoS2 NSs/rGO nanohybrid as a highly effective catalyst for hydrogen evolution reaction (HER have been successfully synthesized by a facile microwave-assisted method. The results clearly reveal that direct grown of MoS2 NSs on rGO have been achieved. Electrochemical tests show that the as-prepared hybrid material exhibited excellent HER activity, with a small Tafel slope of 57 mV dec-1, an overpotential of 130 mV and remarkable cycling stability. After analysis, the observed outstanding catalytic performance can be attributed to the uniform distribution of the MoS2 NSs, which are characterized by the presence of multiple active sites as well as the effective electron transport route provided by the conductive rGO substrate. Moreover, according to the classic theory, the mechanism governing of the catalytic HER on the MoS2 NSs/rGO nanohybrid has been clarified.

  6. Studies of nuclear reaction at very low energies

    International Nuclear Information System (INIS)

    Cecil, F.E.

    1992-01-01

    The deuteron radiative capture reactions on 2 H, 6 Li and 10 B have been measured between center of mass energies of 20 and 140 keV. Of note is the observation that the gamma ray-to-charged particle branching ratio for the DD reaction appears independent of energy down to a center of mass energy of 20 keV, consistent with some and contrary to other theoretical models. We have investigated the ratio of the reactions D(d,p)T and D(d,n) 3 He down to c.m. energies of 3 keV and the ratio of the reactions 6Li(d,p) 7 Li and 6 LI(d,α) 4 He down to a c.m. energy of 19 keV. The DD reaction ratio is independent of energy while the (d,p) branch of the D- 6 Li evinces a significant enhancement at the lowest measured energies. We have continued our investigation of charged particle production from deuterium-metal systems at a modest level of activity. Noteworthy in this investigation is the observation of 3 MeV protons from deuteron beam loaded Ti and LiD targets subjected to extreme thermal disequilibria. Significant facility improvements were realized during the most recent contract period. Specifically the downstream magnetic analysis system proposed to eliminate beam induced contaminants has been installed and thoroughly tested. This improvement should allow the D(a,γ) 6 Li reaction to be measured in the coming contract period. A scattering chamber required for the measurement of the 7 Li( 3 He,p) 9 Be reaction has been designed, fabricated and installed on the accelerator. A CAMAC based charged particle identification system has been assembled also for use in our proposed measurement of the 7 Li( 3 He, p) 9 Be

  7. The (3He,α) reaction mechanism. A study of the angular momentum transfer

    International Nuclear Information System (INIS)

    Guttormsen, M.; Bergholt, L.; Ingebretsen, F.; Loevhoeiden, G.; Messelt, S.; Rekstad, J.; Tveter, T.S.; Helstrup, H.; Thorsteinsen, T.F.

    1994-01-01

    The γ-rays emitted after the 163 Dy( 3 He,αxn) reactions at E( 3 He) = 45 MeV have been measured. The transferred angular momentum in the reaction is deduced from the side-feeding γ-intensities of the ground bands in the residual 162-x Dy isotopes. With decreasing α-energy the average spin transfer increases from similar 5h to similar 11h. The ( 3 He,α) reaction at these energies is dominated by direct processes. Even at the highest spin transfer the contribution from the compound reaction channel is negligible. ((orig.))

  8. Contrast reaction training in US radiology residencies: a COARDRI study.

    Science.gov (United States)

    LeBedis, Christina A; Rosenkrantz, Andrew B; Otero, Hansel J; Decker, Summer J; Ward, Robert J

    To perform a survey-based assessment of current contrast reaction training in US diagnostic radiology residency programs. An electronic survey was distributed to radiology residency program directors from 9/2015-11/2015. 25.7% of programs responded. 95.7% of those who responded provide contrast reaction management training. 89.4% provide didactic lectures (occurring yearly in 71.4%). 37.8% provide hands-on simulation training (occurring yearly in 82.3%; attended by both faculty and trainees in 52.9%). Wide variability in contrast reaction education in US diagnostic radiology residency programs reveals an opportunity to develop and implement a national curriculum. Copyright © 2017 Elsevier Inc. All rights reserved.

  9. Investigations of the mass and charge distribution of fission products from the 238U(n14,f) reaction by direct Ge(Li) method

    International Nuclear Information System (INIS)

    Daroczy, S.

    1979-01-01

    The fission yields can be measured by the well-known activation method if it is taken into account that the fission process results in 5-6 nuclides in an isobaric chain. The method which is based only on the gamma-spectrometric measurement of the irradiated fissioning sample is referred to as the direct Ge(Li) method for fission yield measurement. The thesis contains detailed description of the direct Ge(Li) method. The method was tested by the measurement of cumulative yields of 47 fission products and independent yields of 7 products in the reaction of 238 U(n 14 ,f). These are the members of 37 mass chains in the A=83-149 mass number region. The half-lives of the studied products are in the range of Tsub(1/2)=10 2 -10 9 s; the gamma spectrometric method was improved by extending its applicability to the measurement of short-lived products. Applying short irradiation time (5 min) the yields of 16 fission products with half-lives shorter than 1 hour could be measured. The lowest measured partial fission cross sections (yields) are in the order of 1 mb (0.1%). The accuracy of the yield measured by the direct Ge(Li) method is as high as or higher than that obtained radiochemically, especially for the products measured by many intensive gamma lines. (author)

  10. 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)

  11. Results from an extensive study of the ( pi /sup -/, 2n) reaction

    CERN Document Server

    Bassalleck, B; Furic, M; Klotz, W D; Takeutchi, F; Ullrich, H

    1979-01-01

    Abstract only given, substantially as follows: An extensive study of the ( pi /sup -/,2n) reaction with stopped pi /sup -/ was completed at the CERN-SC. Target nuclei were from the 1p-shell ranging from /sup 6 /Li to /sup 16/0 and also /sup 40/Ca. Large-area neutron counters with subnanosecond time resolution were used in the kinematically complete experiment. Distributions in different variables were investigated in order to extract information on reaction mechanism and nuclear structure. Among the most important are the excitation energy of the residual nucleus showing the location of observed two-hole states as well as angular and momentum distributions giving information on the quantum state and dynamical characteristics of the nucleon pair involved in the absorption. Transitions to low excitation energies proved to be dominated by the direct quasifree reaction mechanism. In general the strongest observed two-hole strength agreed with theoretical predictions on coefficients of fractional parentage for two...

  12. Spillover effect induced Pt-TiO2/C as ethanol tolerant oxygen reduction reaction catalyst for direct ethanol fuel cells

    International Nuclear Information System (INIS)

    Meenakshi, S.; Nishanth, K.G.; Sridhar, P.; Pitchumani, S.

    2014-01-01

    Hypo-hyper-d-electronic interactive nature is used to develop a new carbon supported HT-Pt-TiO 2 composite catalyst comprising Pt and Ti in varying atomic ratio, namely 1:1, 2:1 and 3:1. The electro-catalysts are characterized by XRD, TEM, SEM-EDAX, Cyclic Voltammetry (CV) and Linear sweep voltammetry (LSV) techniques. HT-Pt-TiO 2 /C catalysts exhibit significant improvement in oxygen reduction reaction (ORR) over Pt/C. The effect of composition towards ORR with and without ethanol has been studied. The direct ethanol fuel cell (DEFC) with HT-Pt-TiO 2 /C cathode catalyst exhibits an enhanced peak power density of 41 mW cm −2 , whereas 21 mW cm −2 is obtained for the DEFCs with carbon-supported Pt catalyst operating under identical conditions

  13. A theoretical study of the alkylation reaction of toluene with methanol catalyzed by acidic mordenite

    NARCIS (Netherlands)

    Vos, A.M.; Rozanska, X.; Schoonheydt, R.A.; Santen, van R.A.; Hutschka, F.; Hafner, J.

    2001-01-01

    A theoretical study of the alkylation reaction of toluene with methanol catalyzed by the acidic Mordenite (Si/Al = 23) is reported. Cluster DFT as well as periodical structure DFT calculations have been performed. Full reaction energy diagrams of the elementary reaction steps that lead to the

  14. ESR study of electron reactions with esters and triglycerides

    International Nuclear Information System (INIS)

    Sevilla, M.D.; Morehouse, K.M.; Swarts, S.

    1981-01-01

    Reactions which occurred after electron attachment at 77K to a number of small carboxylic acid esters and triglycerides in an aqueous glass are reported. Most ester anions are found to decay on warming to form alkyl radicals by β scission: RC(O - )OR' → RCO 2 - + R'.. The alkyl radical (R'.) produced by annealing is found to abstract hydrogen from the parent ester at an α-carbon site, R'.+ R''CH 2 CO 2 R' → R''CHCO 2 R', or in the case of ethyl formate from the formate hydrogen, CH 3 CH 2 .+ HCO 2 C 2 H 5 → C 2 H 6 +.CO 2 C 2 H 5 . Results found for the methyl formate anion suggest hydrogen abstraction by the anion itself may compete with alkyl radical formation. The anion of the triglyceride triacetin is found to undergo an analogous mechanism to the ester anions producing the propane diol diester radical, .CH 2 CH(Ac)CH 2 (Ac), Ac = acetate. This species subsequently abstracts hydrogen from the parent compound to produce the α-carbon radical, .CH 2 CO 2 R. Results found after annealing the tripropionin radical anion give evidence for abstraction from the α carbon in the propionate side groups producing CH 3 CHCO 2 R. Studies of a γ-irradiated ester (ethyl myristate) and two triglycerides (tripalmitin and tristearin) yield results which suggest that the mechanism of ester anion decay found in aqueous glasses applies to γ-irradiated neat long-chain esters and triglycerides. Results found in this work are compared to the results of product analysis

  15. Studies of Heavy-Ion Reactions and Transuranic Nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Schroeder, W. Udo [Univ. of Rochester, NY (United States). Dept. of Chemistry. Dept. of Physics

    2016-07-28

    Studies of heavy-ion reactions and transuranic nuclei performed by the University of Rochester Nuclear Science Research Group have been successful in furthering experimental systematics and theoretical understanding of the behavior of nuclear systems excited to their limits of stability. The theoretical results explain specifically the “boiling” and “vaporization” of atomic nuclei, but are more generally applicable to isolated, quantal many-particle systems which, under thermal or mechanical stresses, all disintegrate by evaporation, via surface cluster emission, or via fission-like processes. Accompanying experimental investigations by the group have demonstrated several new types of dynamical instability of nuclei: In central, “head-on” collisions, target nuclei exhibit limited ability to stop energetic projectile nuclei and to dissipate the imparted linear momentum. Substantial matter overlap (“neck”) between projectile and target nuclei, which is observed at elevated collision energies, can be stretched considerably and break at several places simultaneously. These results provide new testing grounds for microscopic theory of the cohesion of nuclear matter. This property has remained elusive, even though the elementary nucleon-nucleon forces are well known since some time. Technical R&D has resulted in a detailed characterization of a novel plastic material, which can now be used in the design of sensitive diagnostic systems for various types of radio-activity. Innovative application of powerful laser systems has produced intense, controllable sources of exotic particle radioactivity for nuclear investigations. Several students have received their Ph.D. degree in experimental nuclear science for their work on basic nuclear research or R&D projects.

  16. Thermogravimetric study of the reaction of uranium oxides with fluorine

    International Nuclear Information System (INIS)

    Komura, Motohiro; Sato, Nobuaki; Kirishima, Akira; Tochiyama, Osamu

    2008-01-01

    Thermogravimetric study of the reaction of uranium oxides with fluorine was conducted by TG-DTA method using anti-corrosion type differential thermobalance. When UO 2 was heated from R.T. to 500 deg. C in 5% F 2 /He atmosphere, the weight increase appeared at ca. 250 deg. C with an exothermic peak. Then the weight decreased slightly with a small exothermic peak followed by the complete volatilization with a large exothermic peak at ca. 350 deg. C. At a flow rate of 15, 30, 60 ml min -1 , there seemed to be no significant change for the fluorination of UO 2 . With the different heating rates of 1, 2, 5 and 10 deg. C min -1 , the fluorination peak shifted to higher temperature with increasing heating rates. For the comparison with thermogravimetric results, phase analysis by XRD method was conducted for the products obtained at different temperatures. At 260 deg. C, the product was UO 2 with a small amount of the intermediate compound, UO 2 F. The amount of this compound increased with increasing temperature up to 320 deg. C. Then another phase of UO 2 F 2 appeared at 340 deg. C but it was immediately fluorinated to the volatile fluoride. When U 3 O 8 was used as a starting material, it was found that the steep weight decrease peak appeared at ca. 350 deg. C and the uranium volatilized completely. This result suggests that fluorination of U 3 O 8 occurs at this temperature forming UF 6 . Uranium trioxide showed the similar fluorination behavior to that of U 3 O 8

  17. Studies of Heavy-Ion Reactions and Transuranic Nuclei

    International Nuclear Information System (INIS)

    Schroeder, W. Udo

    2016-01-01

    Studies of heavy-ion reactions and transuranic nuclei performed by the University of Rochester Nuclear Science Research Group have been successful in furthering experimental systematics and theoretical understanding of the behavior of nuclear systems excited to their limits of stability. The theoretical results explain specifically the ''boiling'' and ''vaporization'' of atomic nuclei, but are more generally applicable to isolated, quantal many-particle systems which, under thermal or mechanical stresses, all disintegrate by evaporation, via surface cluster emission, or via fission-like processes. Accompanying experimental investigations by the group have demonstrated several new types of dynamical instability of nuclei: In central, ''head-on'' collisions, target nuclei exhibit limited ability to stop energetic projectile nuclei and to dissipate the imparted linear momentum. Substantial matter overlap (''neck'') between projectile and target nuclei, which is observed at elevated collision energies, can be stretched considerably and break at several places simultaneously. These results provide new testing grounds for microscopic theory of the cohesion of nuclear matter. This property has remained elusive, even though the elementary nucleon-nucleon forces are well known since some time. Technical R&D has resulted in a detailed characterization of a novel plastic material, which can now be used in the design of sensitive diagnostic systems for various types of radio-activity. Innovative application of powerful laser systems has produced intense, controllable sources of exotic particle radioactivity for nuclear investigations. Several students have received their Ph.D. degree in experimental nuclear science for their work on basic nuclear research or R&D projects.

  18. Reaction studies of hot silicon and germanium radicals. Period covered: September 1, 1977--August 31, 1978

    International Nuclear Information System (INIS)

    Gaspar, P.P.

    1978-01-01

    The experimental approach to attaining the goals of this research program is briefly outlined and the progress made in the last year is reviewed in sections entitled: primary steps in the reaction of recoiling silicon and germanium atoms and the identification of reactive intermediates; thermally induced silylene and germylene reactions; the role of ionic reactions in the chemistry of recoiling silicon atoms and other ion-molecule reactions studies; and silicon free radical chemistry

  19. Studies of heavy-ion reactions and transuranic nuclei: Progress report, September 1, 1987--August 31, 1988

    International Nuclear Information System (INIS)

    Schroeder, W.U.; Huizenga, J.R.

    1988-08-01

    The effect of successively increasing gradients of the potential energy surface on mass and charge transport was studied experimentally and theoretically with a series of damped reactions induced by 48 Ca, 64 Ni, 58 Ni, and 40 Ca projectiles on 238 U targets. Combined transport-evaporation calculations that were performed for the interpretation of data demonstrate a systematic deficiency of quantitative reaction theory. A new type of experimental method has been employed to study several moments of the energy partition in damped reactions, measuring multiplicity correlations of neutrons emitted from the asymptotic fragments with a specially designed, directionally sensitive multiplicity counter. First results indicate significant departures of damped reaction systems from thermal equilibrium. Employing realistic Monte Carlo simulation of published experiments, it was demonstrated that the directions of net mass transfer and energy deposit are uncorrelated in damped reactions. Evaporative and preequilibrium neutron emission has been studied for the asymmetric heavy-ion system 139 La + 40 Ar. The disequilibrium energy transport phenomena observed in the experiment are quantitatively reproduced by model calculations. A strong impact-parameter dependence of preequilibrium emission is demonstrated. The emission patterns of α particles evaporated from high spin compound nuclei, previously attributed to exotic nuclear shapes, have been explained in realistic statistical model calculations for nuclei with conventional shapes. A new octal digital delay module has been designed and tested

  20. Technical advances in neutron polarimetry and studies of the (p,n) reaction in /sup 13/C

    Energy Technology Data Exchange (ETDEWEB)

    Videla, N G

    1985-01-01

    The asymmetry in the /sup 4/He(p,n vector)/sup 4/He reaction has been measured at three different incident neutron energies: 19.40; 22.85 and 27.31 MeV, and 120/sup 0/ from forward direction. Values of the asymmetry have been used to calculate the polarization of fast neutrons produced in the /sup 13/C(p,n vector)/sup 13/N. The /sup 13/C(p,n vector)/sup 13/N reaction was studied as part of a program being undertaken at the University of Manitoba Cyclotron Laboratory to study (p,n) reactions linking isobaric analog states of mirror nuclei in the energy range of 22 to 50 MeV. The study involves a comparison of the proton analyzing power A(theta), in the reaction /sup 13/C(vector p,n)/sup 13/N to the neutron polarization in the inverse reaction /sup 13/C(p,n vector)/sup 13/N. The importance of the comparison between these two observables is based in Conzett's theorem for time reversed reactions, the theorem states that the proton analyzing power in the reaction /sup 13/C(vector p,n)/sup 13/N is equal to the neutron polarization in the reaction /sup 13/C(p,n vector)/sup 13/N provided the reaction proceeds between members of an isospin doublet and when charge symmetry and time reversal invariance hold exactly. However, isospin symmetry is broken by the Coulomb interaction. So comparison of these two observables should yield information of the breaking of isospin by the Coulomb force.

  1. Nuclear reactions

    International Nuclear Information System (INIS)

    Lane, A.M.

    1980-01-01

    In reviewing work at Harwell over the past 25 years on nuclear reactions it is stated that a balance has to be struck in both experiment and theory between work on cross-sections of direct practical relevance to reactors and on those relevant to an overall understanding of reaction processes. The compound nucleus and direct process reactions are described. Having listed the contributions from AERE, Harwell to developments in nuclear reaction research in the period, work on the optical model, neutron capture theory, reactions at doorway states with fine structure, and sum-rules for spectroscopic factors are considered in more detail. (UK)

  2. Spectroscopic study of 126I via incomplete fusion reaction

    International Nuclear Information System (INIS)

    Kanagalekar, B.A.; Das, Pragya; Kumar, Vinod; Kumar, R.; Singh, R.P.; Muralithar, S.; Bhowmik, R.K.

    2006-01-01

    The experiment at Inter University Accelerator Centre consisted of identifying the yrast high-spin states of 126 I using the incomplete fusion reaction 124 Sn ( 10 B, α4n) 126 I at beam energy of 70 MeV

  3. Molecular beam studies of ion-molecule reactions

    International Nuclear Information System (INIS)

    Gentry, W.R.

    1978-01-01

    A review is presented in which an attempt is made to highlight some of the areas in which molecular beam techniques contribute to the understanding of ion--molecule reaction dynamics. Included are reactant kinetic energy range and resolution, internal state selection and analysis, and new chemical systems and phenomena. 35 references

  4. Penicillin Hydrolysis: A Kinetic Study of a Multistep, Multiproduct Reaction.

    Science.gov (United States)

    McCarrick, Thomas A.; McLafferty, Fred W.

    1984-01-01

    Background, procedures used, and typical results are provided for an experiment in which students carry out the necessary measurements on the acid-catalysis of penicillin in two hours. By applying kinetic theory to the data obtained, the reaction pathways for the hydrolysis of potassium benzyl penicillin are elucidated. (JN)

  5. Study towards benzoin condensation and Baylis-Hillman reactions

    Indian Academy of Sciences (India)

    Abstract. New heterocyclic ring systems consisting of (±) methanodibenzodiazocine and imidazolium/ benzimidazolium salts were synthesized in very good yield. Subsequently, these halide salts were subjected to the anion exchange reaction with KPF6 to yield the corresponding azolium salts in excellent yield.

  6. Self-reported adverse tattoo reactions: a New York City Central Park study.

    Science.gov (United States)

    Brady, Bobbi G; Gold, Heidi; Leger, Elizabeth A; Leger, Marie C

    2015-08-01

    Although permanent tattoos are becoming increasingly commonplace, there is a paucity of epidemiological data on adverse tattoo reactions. Several European studies have indicated that tattoo reactions may be relatively common, although the extent of this phenomenon in the United States is largely unknown. To provide insights into the prevalence and nature of adverse tattoo reactions. We administered a survey about adverse tattoo reactions to 300 randomly selected tattooed people in Central Park, New York City. Of 300 participants, 31 (10.3%) reported experiencing an adverse tattoo reaction, 13 (4.3%) reported acute reactions, and 18 (6.0%) suffered from a chronic reaction involving a specific colour lasting for >4 months. Forty-four per cent of colour-specific reactions were to red ink, which was only slightly higher than the frequency of red ink in the sampled population (36%). Twenty-five per cent of chronic reactions were to black ink, which was less than expected based on the number of respondents with black tattoos (90.3%). Study participants with chronic, colour-specific reactions had more tattoo colours than those without reactions. This study shows that tattoo reactions are relatively common, and that further investigation into the underlying causes is merited. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  7. Further study of the reactions of fishes to toxic solutions

    Energy Technology Data Exchange (ETDEWEB)

    Jones, J R.E.

    1948-01-01

    This paper records some further observations on the reactions of fish to toxic solutions. The method of experimentation resembles that described in a previous paper by the writer (Jones, 1947b). In every case the solution is presented as an alternative to the Aberystwyth tap water, which is well aerated, very soft, of pH 6.8. In experiments with sodium sulphide a supply system is arranged in which dilute sodium sulphide solution, brought to pH 6.8 by the addition of sulphuric acid, is automatically made up as it runs into the observation vessel. Gasterosteus aculeatus l. reacts negatively to a 0.001N solution almost immediately; at greater dilution the reaction time lengthens, at 0.00008N is about 47 min. Over the concentration range tested the reaction time is always shorter than the survival time. Gasterosteus is positive to 0.04N lead nitrate. As a positive reaction is also displayed to equivalent concentrations of calcium nitrate, sodium nitrate and sodium chloride it is possible that the osmotic pressure of the solution is its attractive feature. At 0.01N the positive response to lead nitrate disappears and at 0.004N is replaced by a very definite negative reaction which is maintained down to 0.00002N. The minnow (Phoxinus phoxinus l.) is also negative to dilute lead nitrate and will detect and avoid a 0.000004N solution. Gasterosteus will avoid water more acid than pH 5.6 or more alkaline than pH 11.4. Over the range 5.8-11.2 the fish are indifferent or very vaguely positive. Gasterosteus is negative to 0.04 and 0.01N ammonia solution, positive to 0.001 and 0.0001N. The general result with ammonia is thus the converse of that observed with lead nitrate.

  8. A kinetic study on non-catalytic reactions in hydroprocessing Boscan crude oil

    Energy Technology Data Exchange (ETDEWEB)

    A. Marafi; E. Kam; A. Stanislaus [Kuwait Institute for Scientific Research, Safat (Kuwait). Petroleum Refining Department, Petroleum Research and Studies Center

    2008-08-15

    Non-catalytic hydrothermal cracking reactions are known to associate with catalytic hydrocracking reactions. In a recent study on hydroprocessing of Boscan crude over a specific catalyst system containing three distinct catalysts, it was found that hydrodesulfurization (HDS) and hydrodemetallation (HDM) reactions continued even when the catalyst is severely deactivated. Since the reactor was packed with considerable amount of inert material besides the three catalysts, it will be advantage to determine if the inert materials can also facilitate hydroprocessing reactions. A series of kinetic experiments for the inert particles was undertaken under different space velocity and temperature conditions. The extent of catalytic and non-catalytic hydroprocessing reactions was assessed. Through statistical analysis, the initial reaction rate constant, reaction order and activation energy for various hydroprocessing reactions were then determined. The absolute average deviations (AAD) of the kinetics values obtained for inert materials are less than 10%. 25 refs., 7 figs., 4 tabs.

  9. Characterization of the free energy dependence of an interprotein electron transfer reaction by variation of pH and site-directed mutagenesis.

    Science.gov (United States)

    Dow, Brian A; Davidson, Victor L

    2015-10-01

    The interprotein electron transfer (ET) reactions of the cupredoxin amicyanin, which mediates ET from the tryptophan tryptophylquinone (TTQ) cofactor of methylamine dehydrogenase to cytochrome c-551i have been extensively studied. However, it was not possible to perform certain key experiments in that native system. This study examines the ET reaction from reduced amicyanin to an alternative electron acceptor, the diheme protein MauG. It was possible to vary the ΔG° for this ET reaction by simply changing pH to determine the dependence of kET on ΔG°. A P94A mutation of amicyanin significantly altered its oxidation-reduction midpoint potential value. It was not possible to study the ET from reduced P94A amicyanin to cytochrome c-551i in the native system because that reaction was kinetically coupled. However, the reaction from reduced P94A amicyanin to MauG was a true ET reaction and it was possible to determine values of reorganization energy (λ) and electronic coupling for the reactions of this variant as well as native amicyanin. Comparison of the λ values associated with the ET reactions between amicyanin and the TTQ of methylamine dehydrogenase, the diheme center of MauG and the single heme of cytochrome c-551i, provides insight into the factors that dictate the λ values for the respective reactions. These results demonstrate how study of ET reactions with alternative redox partner proteins can complement and enhance our understanding of the reactions with the natural redox partners, and further our understanding of mechanisms of protein ET reactions. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Configuration of a pulse radiolysis system for the study of gas-phase reactions and kinetic investigations of the reactions of hydroxyl radicals with methyl and ethyl radicals

    International Nuclear Information System (INIS)

    Fagerstroem, K.

    1993-01-01

    The work that is presented in this thesis deals with the assembling and testing of a pulse radiolysis system for kinetic studies of gas-phase reactions as well as with the kinetics of the gas-phase reactions of hydroxyl radicals with methyl and ethyl radicals. These radicals are very important as these are formed at an early stage in hydrocarbon combustion processes. The two studied reactions are key reactions in those processes. (6 refs., 4 figs., 2 tabs.)

  11. A DFT study on the mechanisms for the cycloaddition reactions between 1-aza-2-azoniaallene cations and acetylenes.

    Science.gov (United States)

    Wang, Jing-mei; Li, Zhi-ming; Wang, Quan-rui; Tao, Feng-gang

    2013-01-01

    The mechanisms of cycloaddition reactions between 1-aza-2-azoniaallene cations 1 and acetylenes 2 have been investigated using the global electrophilicity and nucleophilicity of the corresponding reactants as global reactivity indexes defined within the conceptual density functional theory. The reactivity and regioselectivity of these reactions were predicted by analysis of the energies, geometries, and electronic nature of the transition state structures. The theoretical results revealed that the reaction features a tandem process: an ionic 1,3-dipolar cycloaddition to produce the cycloadducts 3 H-pyrazolium salts 3 followed by a [1,2]-shift affording the thermodynamically more stable adducts 4 or 5. The mechanism of the cycloaddition reactions can be described as an asynchronous concerted pathway with reverse electron demand. The model reaction has also been investigated at the QCISD/6-31++G(d,p) and CCSD(T)/6-31++G(d,p)//B3LYP/6-31++G(d,p) levels as well as by the DFT. The polarizable continuum model, at the B3LYP/6-31++G(d,p) level of theory, was used to study solvent effects on all the studied reactions. In solvent dichloromethane, all the initial cycloadducts 3 were obtained via direct ionic process as the result of the solvent effect. The consecutive [1,2]-shift reaction, in which intermediates 3 are rearranged to the five-membered heterocycles 4/5, is proved to be a kinetically controlled reaction, and the regioselectivity can be modulated by varying the migrant. The LOL function and RDG function based on localized electron analysis were used to analysis the covalent bond and noncovalent interactions in order to unravel the mechanism of the title reactions.

  12. Epidemiological study of insect bite reactions from Central India

    Directory of Open Access Journals (Sweden)

    Sumit Kar

    2013-01-01

    Full Text Available Introduction: The physical effects of the arthropod bites on human skin receive less attention, especially in the rural areas where the per capita income is less. Ours is a rural-based hospital, the vicinity having more of plants, trees, and forests; we undertook the study to find out the relation of insect bite dermatitis in a rural area. Materials and Methods: The study was carried out in the Dermatology outpatient department of our institute on 100 subjects of insect bite dermatitis who were questioned retrospectively about the sequence of events besides their environmental and living conditions. They were examined thoroughly and the relevant clinical findings were noted, also taking into account the prior treatment taken by them, if any. Results and Conclusions: It was found that insect bite dermatitis has no age or gender preponderance, and the protective factors for the same are use of full sleeve clothes and keeping the doors and windows closed at night. On the contrary, the risk factors are residence in areas of heavy insect infestation, use of perfumes and colognes, warm weather in spring and summer and the lack of protective measures. However, there was no direct association of atopy with increased risk of developing insect bite dermatitis.

  13. Report on the Sunshine Project in fiscal 1988 in research of coal liquefying technologies. Studies on direct hydrogenation liquefying reaction mechanism and prevention of carbonization; 1989 nendo sekitan no ekika gijutsu ni kansuru kenkyu hokokusho. Chokusetsu suiten ekika hanno kiko to tanka boshi no kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1989-07-01

    This paper reports the research of coal liquefying technologies in the Sunshine Project in fiscal 1988. The research was performed with importance placed on the fundamentals of coal liquefaction and high value added compounds. Production of n-paraffin in the liquefying reaction occurs from reduction of acidic ester, and this ester structure contributes to cross-linking of aromatic rings. Most of the aromatic rings in coal has long side chains. A hypothesis was assumed that these chains have been produced from reaction of lignin in plants with fatty acid or alcohol. The hypothesis was verified from a synthesizing reaction by model substances. This could be said an initial reaction model for coalification. In order to verify de-alkylating reaction of the liquefied oil, model substances were used to investigate the products. Benzene having long alkyl side chains have the alkyl group dissociated, and on the other hand cyclization progressed producing naphthalene. Melting performance during coking is attributed to a great amount of solvent soluble low molecular constituents contained in coal. These constituents are contained in close contact in a net-like structure, which is loosened only by heating extraction, and extracted. They have no hydrogen donating performance. (NEDO)

  14. Chemical and physical factors which control the substitution reactions of direct fission-produced iodine with gaseous methane and the methyl halides

    International Nuclear Information System (INIS)

    Kikuchi, M.; Church, L.B.

    1976-01-01

    The factors controlling the hydrogen and halogen substitution reactions resulting from direct fission-produced iodine isotopes (*I) with gaseous methane and methyl halides were investigated. The chemical reaction probabilities, corrected for any secondary decomposition, were compared as a function of various chemical and physical parameters. These include carbon-halogen bond strength, halogen electronegativity, volume and cross sectional area of the substituted and neighboring atoms. On the basis of this analysis, it is concluded that *I-for-X (where X = H, F, Cl, Br and I) substitution reactions are controlled by the cross sectional area of the X atom. The *I-for-H substitution probability is reduced in proportion to the volume of X, suggesting that steric interference is the dominant factor influencing the reaction probability. (orig.) [de

  15. Achievement report for fiscal 1993 on research under Sunshine Program. Research on direct liquefaction reaction of coal; 1993 nendo sekitan no chokusetsu ekika hanno ni kansuru kenkyu seika hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1994-03-01

    The reaction velocity constant of coal or the distribution of products in a high-pressure hydrocracking process of coal are found not to be affected by the temperature rise rate. The liquefaction of coal using CO and water is analyzed using a high-pressure differential thermal analyzer. The hydrogen gas generated during the water gas reaction reacts with CO for the formation of alcohols, carbonic acid, etc. The reaction rate is found to be higher when the specimen contains more oxygen. When coals greatly different from each other in terms of thermolytic reactivity, caking property, and intersolubility with medium oils are mixed, synergistic effects are exhibited, positive when active hydrogen supply is abundant and negative when it is short. In the case of the Hokkaido coal which contains 73.0-87.4% carbon, the grain diameter does not affect the liquefaction rate when the coal is crushed to the 48-mesh size approximately. Reaction velocity in direct liquefaction does not relate to hydrogen pressure. Asphaltenes in coal liquefaction are produced at the beginning of reaction, to be reduced in molecular weight due to cleavage of methylene crosslinks with the progress of reaction. Studies are conducted in a 0.1t/d-capable bench plant about liquefaction reaction characteristics and coal liquid properties, and chemical structures. (NEDO)

  16. Cu-catalyzed C(sp³)-H bond activation reaction for direct preparation of cycloallyl esters from cycloalkanes and aromatic aldehydes.

    Science.gov (United States)

    Zhao, Jincan; Fang, Hong; Han, Jianlin; Pan, Yi

    2014-05-02

    Cu-catalyzed dehydrogenation-olefination and esterification of C(sp(3))-H bonds of cycloalkanes with TBHP as an oxidant has been developed. The reaction involves four C-H bond activations and gives cycloallyl ester products directly from cycloalkanes and aromatic aldehydes.

  17. Study of Cold Fusion Reactions Using Collective Clusterization Approach

    Science.gov (United States)

    Kaur, Gurjit; Sandhu, Kirandeep; Sharma, Manoj K.

    2017-10-01

    Within the framework of the dynamical cluster decay model (DCM), the 1n evaporation cross-sections ({σ }1n) of cold fusion reactions (Pb and Bi targets) are calculated for {Z}{CN}=104-113 superheavy nuclei. The calculations are carried out in the fixed range of excitation energy {E}{CN}* =15+/- 1 {MeV}, so that the comparative analysis of reaction dynamics can be worked out. First of all, the fission barriers (B f ) and neutron separation energies ({S}1n) are estimated to account the decreasing cross-sections of cold fusion reactions. In addition to this, the importance of hot optimum orientations of β 2i-deformed nuclei over cold one is explored at fixed angular momentum and neck-length parameters. The hot optimum orientations support all the target-projectile (t,p) combinations, which are explored experimentally in the cold fusion reactions. Some new target-projectile combinations are also predicted for future exploration. Further, the 1n cross-sections are addressed for {Z}{CN}=104-113 superheavy nuclei at comparable excitation energies which show the decent agrement with experimental data upto {Z}{CN}=109 nuclei. Finally, to understand the dynamics of higher-Z superheavy nuclei, the cross-sections are also calculated at maximum available energies around the Coulomb barrier and the effect of non-sticking moment of inertia ({I}{NS}) is also investigated at these energies. Supported by the Council of Scientific and Industrial Research (CSIR), in the Form of Research Project Grant No. 03(1341)/15/EMR-II, and to DST, New Delhi, for INSPIRE-Fellowship Grant No. DST/INSPIRE/03/2015/000199

  18. Study of reactions induced by 6He on 9Be

    Directory of Open Access Journals (Sweden)

    Pires K.C.C.

    2014-03-01

    Full Text Available We present the results of experiments using a 6He beam on a 9Be target at energies 7 − 9 times the Coulomb barrier. Angular distributions of the elastic, inelastic scattering (target breakup and the a-particle production in the 6He+9Be collision have been analysed. Total reaction cross sections were obtained from the elastic scatteringanalyses and a considerable enhancement has been observed by comparing to stable systems.

  19. Study of energy deposition in heavy-ion reactions

    International Nuclear Information System (INIS)

    Mota, V. De La; Abgrall, P.; Sebille, F.; Haddad, F.

    1993-01-01

    An investigation of energy deposition mechanisms in heavy-ion reactions at intermediate energies is presented. Theoretical simulations are performed in the framework of the semi-classical Landau-Vlasov model. They emphasize the influence of the initial non-equilibrium conditions, and the connection with the incident energy is discussed. Characteristic times involved in the energy thermalization process and finite size effects are analyzed. (authors) 20 refs., 4 figs

  20. Resonance Strength Measurement at Astrophysical Energies: The 17O(p,α14N Reaction Studied via THM

    Directory of Open Access Journals (Sweden)

    Sergi M.L.

    2016-01-01

    Full Text Available In recent years, the Trojan Horse Method (THM has been used to investigate the low-energy cross sections of proton-induced reactions on 17O nuclei, overcoming extrapolation procedures and enhancement effects due to electron screening. We will report on the indirect study of the 17O(p,α14N reaction via the Trojan Horse Method by applying the approach developed for extracting the resonance strength of narrow resonance in the ultralow energy region. The mean value of the strengths obtained in the two measurements was calculated and compared with the direct data available in literature.

  1. A study of paint sludge deactivation by pyrolysis reactions

    Directory of Open Access Journals (Sweden)

    Muniz L.A.R.

    2003-01-01

    Full Text Available The production of large quantities of paint sludge is a serious environmental problem. This work evaluates the use of pyrolysis reaction as a process for deactivating paint sludge that generates a combustible gas phase, a solvent liquid phase and an inert solid phase. These wastes were classified into three types: water-based solvent (latex resin and solvents based on their resins (alkyd and polyurethane. An electrically heated stainless steel batch reactor with a capacity of 579 mL and a maximum pressure of 30 atm was used. Following the reactor, a flash separator, which was operated at atmospheric pressure, partially condensed and separated liquid and gas products. Pressure and temperature were monitored on-line by a control and data acquisition system, which adjusted the heating power supplied to the pyrolysis reactor. Reactions followed an experimental design with two factors (reaction time and temperature and three levels (10, 50 and 90 minutes; 450, 550 and 650degreesC. The response variables were liquid and solid masses and net heat of combustion. The optimal operational range for the pyrolysis process was obtained for each response variable. A significant reduction in total mass of solid waste was obtained.

  2. Simulation studies in biochemical signaling and enzyme reactions

    Science.gov (United States)

    Nelatury, Sudarshan R.; Vagula, Mary C.

    2014-06-01

    Biochemical pathways characterize various biochemical reaction schemes that involve a set of species and the manner in which they are connected. Determination of schematics that represent these pathways is an important task in understanding metabolism and signal transduction. Examples of these Pathways are: DNA and protein synthesis, and production of several macro-molecules essential for cell survival. A sustained feedback mechanism arises in gene expression and production of mRNA that lead to protein synthesis if the protein so synthesized serves as a transcription factor and becomes a repressor of the gene expression. The cellular regulations are carried out through biochemical networks consisting of reactions and regulatory proteins. Systems biology is a relatively new area that attempts to describe the biochemical pathways analytically and develop reliable mathematical models for the pathways. A complete understanding of chemical reaction kinetics is prohibitively hard thanks to the nonlinear and highly complex mechanisms that regulate protein formation, but attempting to numerically solve some of the governing differential equations seems to offer significant insight about their biochemical picture. To validate these models, one can perform simple experiments in the lab. This paper introduces fundamental ideas in biochemical signaling and attempts to take first steps into the understanding of biochemical oscillations. Initially, the two-pool model of calcium is used to describe the dynamics behind the oscillations. Later we present some elementary results showing biochemical oscillations arising from solving differential equations of Elowitz and Leibler using MATLAB software.

  3. Reaction of Aldehydes/Ketones with Electron-Deficient 1,3,5-Triazines Leading to Functionalized Pyrimidines as Diels-Alder/Retro-Diels-Alder Reaction Products: Reaction Development and Mechanistic Studies.

    Science.gov (United States)

    Yang, Kai; Dang, Qun; Cai, Pei-Jun; Gao, Yang; Yu, Zhi-Xiang; Bai, Xu

    2017-03-03

    Catalytic inverse electron demand Diels-Alder (IEDDA) reactions of heterocyclic aza-dienes are rarely reported since highly reactive and electron-rich dienophiles are often found not compatible with strong acids such as Lewis acids. Herein, we disclose that TFA-catalyzed reactions of electron-deficient 1,3,5-triazines and electron-deficient aldehydes/ketones can take place. These reactions led to highly functionalized pyrimidines as products in fair to good yields. The reaction mechanism was carefully studied by the combination of experimental and computational studies. The reactions involve a cascade of stepwise inverse electron demand hetero-Diels-Alder (ihDA) reactions, followed by retro-Diels-Alder (rDA) reactions and elimination of water. An acid was required for both ihDA and rDA reactions. This mechanism was further verified by comparing the relative reactivity of aldehydes/ketones and their corresponding vinyl ethers in the current reaction system.

  4. Study of (α,p) and (α,n) reactions with a Multi-Sampling Ionization Chamber

    International Nuclear Information System (INIS)

    Avila, M. L.; Rehm, K. E.; Almaraz-Calderon, S.; Ayangeakaa, A. D.; Dickerson, C.

    2017-01-01

    Here, a large number of (α,p) and (α, n) reactions are known to play a fundamental role in nuclear astrophysics. This work presents a novel technique to study these reactions with the active target system MUSIC whose segmented anode allows the investigation of a large energy range of the excitation function with a single beam energy. In order to verify the method, we performed direct measurements of the previously measured reactions "1"7O (α, n) "2"0Ne, "2"3Na (α,p) "2"6Mg, and "2"3Na "2"6Al. These reactions were investigated in inverse kinematics using "4He gas in the detector to study the excitation functions in the energy range of about 2–6 MeV in the center of mass. We found good agreement between the cross sections of the "1"7O (α, n) "2"0Ne reaction measured in this work and previous measurements. Furthermore we have successfully performed a simultaneous measurement of the "2"3Na (α,p) "2"6Mg and "2"3Na (α, n) "2"6Al reactions.

  5. Study of n-Butyl Acrylate Self-Initiation Reaction Experimentally and via Macroscopic Mechanistic Modeling

    Directory of Open Access Journals (Sweden)

    Ahmad Arabi Shamsabadi

    2016-04-01

    Full Text Available This paper presents an experimental study of the self-initiation reaction of n-butyl acrylate (n-BA in free-radical polymerization. For the first time, the frequency factor and activation energy of the monomer self-initiation reaction are estimated from measurements of n-BA conversion in free-radical homo-polymerization initiated only by the monomer. The estimation was carried out using a macroscopic mechanistic mathematical model of the reactor. In addition to already-known reactions that contribute to the polymerization, the model considers a n-BA self-initiation reaction mechanism that is based on our previous electronic-level first-principles theoretical study of the self-initiation reaction. Reaction rate equations are derived using the method of moments. The reaction-rate parameter estimates obtained from conversion measurements agree well with estimates obtained via our purely-theoretical quantum chemical calculations.

  6. Astrophysical 3He(α ,γ )7Be and 3H(α ,γ )7Li direct capture reactions in a potential-model approach

    Science.gov (United States)

    Tursunov, E. M.; Turakulov, S. A.; Kadyrov, A. S.

    2018-03-01

    The astrophysical 3He(α ,γ )7Be and 3H(α ,γ )7Li direct capture processes are studied in the framework of the two-body model with potentials of a simple Gaussian form, which describe correctly the phase shifts in the s , p , d , and f waves, as well as the binding energy and the asymptotic normalization constant of the ground p3 /2 and the first excited p1 /2 bound states. It is shown that the E 1 transition from the initial s wave to the final p waves is strongly dominant in both capture reactions. On this basis the s -wave potential parameters are adjusted to reproduce the new data of the LUNA Collaboration around 100 keV and the newest data at the Gamov peak estimated with the help of the observed neutrino fluxes from the sun, S34(23-5+6keV ) =0.548 ±0.054 keV b for the astrophysical S factor of the capture process 3He(α ,γ )7Be . The resulting model describes well the astrophysical S factor in the low-energy big-bang nucleosynthesis region of 180-400 keV; however, it has a tendency to underestimate the data above 0.5 MeV. The energy dependence of the S factor is mostly consistent with the data and the results of the no-core shell model with continuum, but substantially different from the fermionic molecular dynamics model predictions. Two-body potentials, adjusted for the properties of the 7Be nucleus, 3He+α elastic scattering data, and the astrophysical S factor of the 3He(α ,γ )7Be direct capture reaction, are able to reproduce the properties of the 7Li nucleus, the binding energies of the ground 3 /2- and first excited 1 /2- states, and phase shifts of the 3H+α elastic scattering in partial waves. Most importantly, these potential models can successfully describe both absolute value and energy dependence of the existing experimental data for the mirror astrophysical 3H(α ,γ )7Li capture reaction without any additional adjustment of the parameters.

  7. Novel Rearrangements in the Reactions Directed Toward Preparation of Spiro-N,N-ketals: Reactions of Naphthalene-1,8-diamine with Ninhydrin and Isatin

    Directory of Open Access Journals (Sweden)

    Keiji Kobayashi

    2012-11-01

    Full Text Available Spiro-N,N-ketal 5, consisting of a phthaloperine heterocyclic ring and a naphtha[1,8-ef][1,4]diazepine ring, was obtained along with spiro-N,N-ketal 2 via 2,2-condensation in the reaction of ninhydrin with naphthalene-1,8-diamine. Their molecular structures were elucidated by X-ray crystal structural analysis. Aside from these spiro compounds, the diazapleiadiene compound 3 formed by 1,2-condensation and the 1,4-isoquinolinedione compound 4 arising from ring expansion were isolated. When isatin was reacted with naphthalene-1,8-diamine, spiro-N,N-ketal 6 and the two 1H-perimidine-based compounds 7 and 8 were isolated. Compound 8 was revealed to undergo a fast dynamic prototropic tautomerization in solution. Plausible mechanisms of the formation of the products are proposed.

  8. Direct Kinetic Evidence for the Formation of an Acylpyridinium Intermediate in Synthetic p-Nitrophenyl Esterase-Catalyzed Hydrolysis Reactions

    National Research Council Canada - National Science Library

    Wang, Guang-Jia

    1996-01-01

    .... The deacylation rate was also found to exhibit a maximum for the same substrate 2 (n=6). These results are similar to those previously reported with cholesterol esterase as catalyst for the same hydrolysis reaction...

  9. Direct asymmetric vinylogous aldol reaction of allyl ketones with isatins: Divergent synthesis of 3-hydroxy-2-oxindole derivatives

    KAUST Repository

    Zhu, Bo; Zhang, Wen; Lee, Richmond; Han, Zhiqiang; Yang, Wenguo; Tan, Davin; Huang, Kuo-Wei; Jiang, Zhiyong

    2013-01-01

    6 in 1: The highly enantioselective title reaction is mediated by a bifunctional catalyst and leads to E-configured vinylogous aldol products (see scheme). These products are used as common intermediates in the synthesis of six biologically active 3

  10. Neutron halo in 14B studied via reaction cross sections

    International Nuclear Information System (INIS)

    Fukuda, M.; Tanaka, M.; Iwamoto, K.; Wakabayashi, S.; Yaguchi, M.; Ohno, J.; Morita, Y.; Kamisho, Y.; Mihara, M.; Matsuta, K.; Nishimura, D.; Suzuki, S.; Nagashima, M.; Ohtsubo, T.; Ogura, T.; Abe, K.; Kikukawa, N.; Sakai, T.; Sera, D.; Takechi, M.; Izumikawa, T.; Suzuki, T.; Yamaguchi, T.; Sato, K.; Furuki, H.; Miyazawa, S.; Ichihashi, N.; Kohno, J.; Yamaki, S.; Kitagawa, A.; Sato, S.; Fukuda, S.

    2014-01-01

    Reaction cross sections (σ R ) for the neutron-rich nucleus 14 B on Be, C, and Al targets have been measured at several energies in the intermediate energy range of 45-120 MeV/nucleon. The present experimental σ R show a significant enhancement relative to the systematics of stable nuclei. The nucleon density distribution was deduced through the fitting procedure with the modified Glauber calculation. The necessity of a long tail in the density distribution was found, which is consistent with the valence neutron in 2s 1/2 orbital with the small empirical one-neutron separation energy in 14 B. (authors)

  11. Laser studies of chemical reaction and collision processes

    Energy Technology Data Exchange (ETDEWEB)

    Flynn, G. [Columbia Univ., New York, NY (United States)

    1993-12-01

    This work has concentrated on several interrelated projects in the area of laser photochemistry and photophysics which impinge on a variety of questions in combustion chemistry and general chemical kinetics. Infrared diode laser probes of the quenching of molecules with {open_quotes}chemically significant{close_quotes} amounts of energy in which the energy transferred to the quencher has, for the first time, been separated into its vibrational, rotational, and translational components. Probes of quantum state distributions and velocity profiles for atomic fragments produced in photodissociation reactions have been explored for iodine chloride.

  12. 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.

  13. Nuclear structure of weakly bound radioactive nuclei through elastic and and inelastic scattering on proton. Impacts of the couplings induced by these exotic nuclei on direct reactions

    International Nuclear Information System (INIS)

    Lapoux, V.

    2005-09-01

    Information on the structure, spectroscopy and target interaction potentials of exotic nuclei can be inferred by interpreting measured data from direct reactions on proton such as elastic or inelastic scattering of proton (p,p') or one-nucleon transfer reaction (p,d). A series of experimental results has been obtained at the GANIL facilities on the setting composed of the MUST telescope array used for the detection of light charged-particles and of CATS beam detectors. This setting aims at measuring reactions on light proton or deuteron targets through reverse kinematics. Particularly, results on C 10 , C 11 and on direct reactions with the He 8 beam of Spiral are presented. The first chapter is dedicated to the description of the most important theories concerning the nucleus. The experimental tools used to probe the nucleus are reported in the second chapter. The third and fourth chapters present the framework that has allowed us to analyse results from (p,p') and (p,d) reactions on weakly bound exotic nuclei. The last chapter is dedicated to the description of future experimental programs. (A.C.)

  14. Investigation of a Pt-Fe/C catalyst for oxygen reduction reaction in direct ethanol fuel cells

    International Nuclear Information System (INIS)

    Castro Luna, A. M.; Bonesi, A.; Triaca, W. E.; Blasi, A. Di; Stassi, A.; Baglio, V.; Antonucci, V.; Arico, A. S.

    2010-01-01

    Three cathode catalysts (60% Pt/C, 30% Pt/C and 60% Pt-Fe/C), with a particle size of about 2-3 nm, were prepared to investigate the effect of ethanol cross-over on cathode surfaces. All samples were studied in terms of structure and morphology by using X-ray diffraction (XRD) and transmission electron microscopy (TEM) analyses. Their electrocatalytic behavior in terms of oxygen reduction reaction (ORR) was investigated and compared using a rotating disk electrode (RDE). The tolerance of cathode catalysts in the presence of ethanol was evaluated. The Pt-Fe/C catalyst showed both higher ORR activity and tolerance to ethanol cross-over than Pt/C catalysts. Moreover, the more promising catalysts were tested in 5 cm 2 DEFC single cells at 60 and 80 o C. An improvement in single cell performance was observed in the presence of the Pt-Fe catalyst, due to an enhancement in the oxygen reduction kinetics. The maximum power density was 53 mW cm -2 at 2 bar rel. cathode pressure and 80 o C.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  16. Molecular beam studies of hot atom chemical reactions: Reactive scattering of energetic deuterium atoms

    International Nuclear Information System (INIS)

    Continetti, R.E.; Balko, B.A.; Lee, Y.T.

    1989-02-01

    A brief review of the application of the crossed molecular beams technique to the study of hot atom chemical reactions in the last twenty years is given. Specific emphasis is placed on recent advances in the use of photolytically produced energetic deuterium atoms in the study of the fundamental elementary reactions D + H 2 /minus/> DH + H and the substitution reaction D + C 2 H 2 /minus/> C 2 HD + H. Recent advances in uv laser and pulsed molecular beam techniques have made the detailed study of hydrogen atom reactions under single collision conditions possible. 18 refs., 9 figs

  17. Molecular Beam Studies of Hot Atom Chemical Reactions: Reactive Scattering of Energetic Deuterium Atoms

    Science.gov (United States)

    Continetti, R. E.; Balko, B. A.; Lee, Y. T.

    1989-02-01

    A brief review of the application of the crossed molecular beams technique to the study of hot atom chemical reactions in the last twenty years is given. Specific emphasis is placed on recent advances in the use of photolytically produced energetic deuterium atoms in the study of the fundamental elementary reactions D + H{sub 2} -> DH + H and the substitution reaction D + C{sub 2}H{sub 2} -> C{sub 2}HD + H. Recent advances in uv laser and pulsed molecular beam techniques have made the detailed study of hydrogen atom reactions under single collision conditions possible.

  18. Study of actinides fission induced by multi-nucleon transfer reactions in inverse kinematics

    International Nuclear Information System (INIS)

    Derkx, X.

    2010-10-01

    The study of actinide fission encounters two major issues. On one hand, measurements of the fission fragment distributions and the fission probabilities allow a better understanding of the fission process itself and the discrimination among the models of nuclear structure and dynamics. On the other hand, new measurements are required to improve nuclear data bases, which are a key component for the design of new generation reactors and radio-toxic waste incinerators. This thesis is in line with different French and American experimental projects using the surrogate method, i.e. transfer reactions leading to the same compound nuclei as in neutron irradiation, allowing the study of fission of actinides which are inaccessible by conventional techniques, whereas they are important for applications. The experiment is based on multi-nucleon transfer reactions between a 238 U beam and a 12 C target, using the inverse kinematics technique to measure, for each transfer channel, the complete isotopic distributions of the fission fragments with the VAMOS spectrometer. The work presented in this dissertation is focused on the identification of the transfer channels and their properties, as their angular distributions and the distributions of the associated excitation energy, using the SPIDER telescope to identify the target recoil nuclei. This work of an exploratory nature aims to generalize the surrogate method to heavy transfers and to measure, for the first time, the fission probabilities in inverse kinematics. The obtained results are compared with available direct kinematics and neutron irradiation measurements. (author)

  19. A study of fundamental reaction pathways for transition metal alkyl complexes. I. The reaction of a nickel methyl complex with alkynes. Ii. The mechanism of aldehyde formation in the reaction of a molybdenum hydride with molybdenum alkyls

    Energy Technology Data Exchange (ETDEWEB)

    Huggins, John Mitchell [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)

    1980-06-12

    it was possible to show that the mixed dimers MeCpMo(CO)3-(CO)3MoCp (3b) and MeCpMo(CO)2≡(CO)2 MoCp (4b) are the predominant kinetic products of the reaction. Additionally labeling the carbonyl ligands of 1a with 13CO led to the conclusion that all three of the carbonyl ligands in 1a end up in the tetracarbonyl dimers 4a if the reaction is carried out under a continuous purge of argon Trapping studies failed to find any evidence for the intermediacy of either [CpMo(CO)3] - or [CpMo(CO)3] + in this reaction. A mechanism is proposed that involves the initial migration of the alkyl ligand in 2 to CO forming an unsaturated acyl complex which reacts with 1a to give a binuclear complex containing a three center-two electron Mo-H-Mo bond. This complex then selectively looses a carbonyl from the acyl molybdenum, migrates the hydride to that same metal, and forms a metal-metal bond. This binuclear complex with the hydride and acyl ligands on one metal reductively eliminates aldehyde, and migrates a carbonyl ligand, to give 4a directly. The other product 3a is formed by addition of two molecules of free CO to 4a.

  20. An experimental and theoretical kinetic study of the reaction of OH radicals with tetrahydrofuran

    KAUST Repository

    Giri, Binod

    2016-06-24

    Tetrahydrofuran (CHO, THF) and its alkylated derivatives of the cyclic ether family are considered to be promising future biofuels. They appear as important intermediates during the low-temperature oxidation of conventional hydrocarbon fuels and of heavy biofuels such as long-chain fatty acid methyl esters. The reaction of tetrahydrofuran with OH radicals was investigated in a shock tube, over a temperature range of 800-1340 K and at pressures near 1.5 bar. Hydroxyl radicals were generated by the rapid thermal decomposition of tert-butyl hydroperoxide, and a UV laser absorption technique was used to monitor the mole fraction of OH radicals. High-level CCSD(T)/cc-pV(D,T)Z//MP2/aug-cc-pVDZ quantum chemical calculations were performed to explore the chemistry of the THF+OH reaction system. Our calculations reveal that the THF+OH (R1) reaction proceeds via either direct or indirect H-abstraction from various sites, leading to the formation of tetrahydrofuran-2-yl (THF-R2) or tetrahydrofuran-3-yl (THF-R3) radicals and water. Theoretical kinetic analysis revealed that both channels are important under conditions relevant to combustion. To our knowledge, this is the first direct experimental and theoretical kinetic study of the reaction of tetrahydrofuran with OH radicals at high temperatures. The following theoretical rate expressions (in units of cmmols) are recommended for combustion modeling in the temperature range 800-1350 K: . k1(T)=4.11×1040.16em0ex(TK)2.69exp(1316.80.16em0exKT)2.em0ex0.16em0ex(THF+OH→Products) . k2(T)=6.930.16em0ex×10110.16em0ex(TK)0.41exp(-106.80.16em0exKT)2.em0ex0.16em0ex(THF+OH→THF-R20.16em0ex+H2O) . k3(T)=4.120.16em0ex×1030.16em0ex(TK)3.02exp(456.90.16em0exKT)2.em0ex0.16em0ex(THF+OH→THF-R30.16em0ex+H2O) . .

  1. A simulation study of the reaction of human heart to biphasic electrical shocks

    Directory of Open Access Journals (Sweden)

    Seemann Gunnar

    2004-06-01

    Full Text Available Abstract Background This article presents a study, which examines the effects of biphasic electrical shocks on human ventricular tissue. The effects of this type of shock are not yet fully understood. Animal experiments showed the superiority of biphasic shocks over monophasic ones in defibrillation. A mathematical computer simulation can increase the knowledge of human heart behavior. Methods The research presented in this article was done with different models representing a three-dimensional wedge of ventricular myocardium. The electrophysiology was described with Priebe-Beuckelmann model. The realistic fiber twist, which is specific to human myocardium was included. Planar electrodes were placed at the ends of the longest side of the virtual cardiac wedge, in a bath medium. They were sources of electrical shocks, which varied in magnitude from 0.1 to 5 V. In a second arrangement ring electrodes were placed directly on myocardium for getting a better view on secondary electrical sources. The electrical reaction of the tissue was generated with a bidomain model. Results The reaction of the tissue to the electrical shock was specific to the initial imposed characteristics. Depolarization appeared in the first 5 ms in different locations. A further study of the cardiac tissue behavior revealed, which features influence the response of the considered muscle. It was shown that the time needed by the tissue to be totally depolarized is much shorter when a biphasic shock is applied. Each simulation ended only after complete repolarization was achieved. This created the possibility of gathering information from all states corresponding to one cycle of the cardiac rhythm. Conclusions The differences between the reaction of the homogeneous tissue and a tissue, which contains cleavage planes, reveals important aspects of superiority of biphasic pulses. ...

  2. A microcatalytic flow reactor for the study of heterogeneous catalytic reactions at elevated pressures

    Energy Technology Data Exchange (ETDEWEB)

    Belyi, A S; Fomichev, Yu V; Duplyakin, V K; Alfeev, V S

    1977-07-01

    A microcatalytic flow reactor for the study of heterogeneous catalytic reactions at elevated pressures (i.e., up to 40 atm) and nearly isothermal conditions up to 600/sup 0/C was designed for the conversion of small quantities of petrochemical feeds or feed mixtures at uniform, controllable flow rates of 0.5-5.0 cc/hr, for direct gas-chromatographic analysis of product samples at the reactor outlet, and for continuous monitoring of the degree of conversion in processes that evolve or absorb hydrogen. The device includes a feed injection system with a unique sealing feature that ensures a constant flow of liquid from a feed buret under positive displacement by a counterweight piston at very low rates into a tubular reactor of the perfect mixing type, a highly efficient vaporizer-mixer, and a two-channel sampler leading to the chromatograph. The apparatus has proved reliable, accurate, and convenient in two years of regular use. Diagrams.

  3. Studies of liver-specific metabolic reactions with 15N. 1

    International Nuclear Information System (INIS)

    Hirschberg, K.; Jung, K.; Faust, H.; Matkowitz, R.

    1987-01-01

    The 15 N tracer technique was used to investigate liver-specific reactions (urea and hippurate synthesis) for studying the metabolism in the healthy and damaged pig liver. After [ 15 N]ammonium chloride administration the tracer distribution on non-protein compounds of serum and urine was followed. Blood samplings before and after liver passage rendered possible a direct analysis of the [ 15 N]ammonium metabolism. The thioacetamide-induced liver damage was used as model for an acute liver intoxication. The capacity for urea synthesis was not influenced by means of this noxious substance, but the metabolism of amino acids and hippuric acid. The considerably depressed excretion of [ 15 N]hippurate seems to be a suitable indicator of liver disfunction. (author)

  4. Comparative studies for different proximity potentials applied to sub-barrier fusion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, G.L. [Beihang University, School of Physics and Nuclear Energy Engineering, Beijing (China); Beihang University, Key Laboratory of Micro-Nano Measurement-Manipulation and Physics (Ministry of Education), Beijing (China); Qu, W.W. [Medical College of Soochow University, School of Radiation Medicine and Protection, Soochow (China); Guo, M.F.; Qian, J.Q. [Beihang University, School of Physics and Nuclear Energy Engineering, Beijing (China); Zhang, H.Q. [China Institute of Atomic Energy, Beijing (China); Wolski, R. [Henryk Niewodniczanski Institute of Nuclear Physics PAS, Cracow (Poland)

    2016-02-15

    Coulomb barrier heights calculated by using 14 different versions of proximity potentials are studied and applied for experimental data of fusion in terms of a recently proposed energy scaling approach. The results show that the descriptions of proximity potentials 77 and 88 for the barrier heights seem to be closest to the values required by the systematics. On the basis of proximity potential 77, the parameterized formulas of the barrier height and radius are obtained. These formulas can calculate the barrier positions and barrier heights reasonably well within the error, respectively. Thus it provides a simple and direct way to calculate the barrier positions and barrier heights for heavy-ion fusion reactions. (orig.)

  5. Study of pore pressure reaction on hydraulic fracturing

    Science.gov (United States)

    Trimonova, Mariia; Baryshnikov, Nikolay; Turuntaev, Sergey; Zenchenko, Evgeniy; Zenchenko, Petr

    2017-04-01

    We represent the results of the experimental study of the hydraulic fracture propagation influence on the fluid pore pressure. Initial pore pressure was induced by injection and production wells. The experiments were carried out according to scaling analysis based on the radial model of the fracture. All required geomechanical and hydrodynamical properties of a sample were derived from the scaling laws. So, gypsum was chosen as a sample material and vacuum oil as a fracturing fluid. The laboratory setup allows us to investigate the samples of cylindrical shape. It can be considered as an advantage in comparison with standard cubic samples, because we shouldn't consider the stress field inhomogeneity induced by the corners. Moreover, we can set 3D-loading by this setting. Also the sample diameter is big enough (43cm) for placing several wells: the fracturing well in the center and injection and production wells on two opposite sides of the central well. The experiment consisted of several stages: a) applying the horizontal pressure; b) applying the vertical pressure; c) water solution injection in the injection well with a constant pressure; d) the steady state obtaining; e) the oil injection in the central well with a constant rate. The pore pressure was recorded in the 15 points along bottom side of the sample during the whole experiment. We observe the pore pressure change during all the time of the experiment. First, the pore pressure changed due to water injection. Then we began to inject oil in the central well. We compared the obtained experimental data on the pore pressure changes with the solution of the 2D single-phase equation of pore-elasticity, and we found significant difference. The variation of the equation parameters couldn't help to resolve the discrepancy. After the experiment, we found that oil penetrated into the sample before and after the fracture initiation. This fact encouraged us to consider another physical process - the oil

  6. Studies of evaporation residue products from krypton and argon reactions

    International Nuclear Information System (INIS)

    Plasil, F.; Ferguson, R.L.; Britt, H.C.; Erkkila, B.H.; Blann, M.; Gutbrod, H.H.; California Univ., Berkeley

    1978-01-01

    Mass distributions of evaporation residue (ER) products from 86 Kr-bombardments of 70 Ge and 74 Ge have been obtained by a time-of-flight method at energies ranging from the interaction barrier to 706 MeV. ER excitation functions have also been obtained for a variety of target and projectile combinations. Results are compared with statistical model calculations and with results obtained from γ-measurements. It is deduced that at the lowest impact parameters, the reaction products belong to the ER group, in contrast with the angular momentum hypothesis of Lefort. Cross sections were found to be consistent with an angular momentum limit arising from the onset of fission. (orig.) [de

  7. Study on 9Be(#betta#, n) reaction

    International Nuclear Information System (INIS)

    Fujishiro, M.; Tabata, T.; Satoh, Y.; Furuta, J.; Okamoto, K.

    1982-01-01

    In chapter 1 are described measurements of cross sections σ(E sub(#betta#)) of the 9 Be(#betta#, n) reaction with six kinds of radioisotopes. The results were σ(1674.7) = 8.8 +- 1.6, σ(1705.2) = 13.3 +- 2.4, σ(1724.9) = 11.0 +- 2.0, σ(1778.9) = 7.3 +- 1.3, σ(1836.0) = 4.7 +- 0.9, and σ(2167.6) = 1.8 +- 0.4 in unit of 10 - 28 cm 2 . The cross sections measured show a cusp-like peak near the threshold, and its width is narrower than that observed by Jakobson with bremsstrahlung X-rays. Comparison of the present results with theories indicates that mutual agreement is yet qualitative. In chapter 2 is described a measurement of the intensity I(2009.8) of the crossover E4 transition in 46 Ti by applying the 9 Be(#betta#, n) reaction. The observed intensity per decay of 46 Sc was I(2009.8) = (1.2 +- 0.7) x 10 - 7 . From the present result the reduced transition probability B(E4) of the crossover E4 transition between the 2009.8 keV, 4 + excited state and the 0 + ground state of 46 Ti was estimated as B(E4) = (5.2 +- 3.7) x 10 - 99 e 2 .cm 8 . Discussion was given of the presently measured intensity and of nuclear models. (author)

  8. [Delayed adverse reactions to blood donation: From haemovigilance data to specific studies].

    Science.gov (United States)

    Py, J-Y; Durieux, S; Barnoux, M; Sapey, T

    2016-11-01

    Delayed adverse reactions to blood donation occur after the donor left donation site. Their intrinsic gravity and possible complications can be increased by the fact the donor is alone. This can also increase bad memories, leading to a donation giving up. Blood transfusion centre is only aware in case of donor feedback, hence an event underrating. We choose to compare our data upon delayed adverse donor reactions with those we could find in past studies. A first data level comes from French haemovigilance data while serious adverse reactions declaration is mandatory. But a second level can be reached using blood transfusion centre computerized data because all the donation reactions are saved whatever the gravity is. In both cases, delayed reactions are only those reported by donors. We try to make an exhaustive search of specific studies upon the real delayed reactions incidence so as to compare with our data. There were 1957 serious adverse reactions declared in our regional haemovigilance database between 2011 and 2015: 49 % occurring during donation, 40 % after it but before donor departure, and 11 % delayed events. There were 16,050 adverse reactions recorded during the first trimester of 2016 in mainland France, with 2.7 % delayed ones. Proportion of delayed events rises when gravity rises, until 27.6 % for the most serious ones. It varies between 2.2 % and 2.7 % for vasovagal reactions, haematomas, and other local reactions, and reaches 16.2 % for other general reactions. Data found in other studies with a spontaneous donor notification are of the same kind. But four studies soliciting specifically donor notification give a dramatically higher delayed reactions incidence, with an understatement greater than three out of four. Moreover, these studies found a majority of delayed reactions, which are not included in haemovigilance like fatigue or bruising. Occurrence of a delayed donor reaction is clearly underrated in standard haemovigilance. It

  9. Histochemical detection of the in vivo produced cellular aldehydes by means of direct Schiff's reaction in CCl/sub 4/ intoxicated rat liver

    Energy Technology Data Exchange (ETDEWEB)

    Taper, H.S.; Somer, M.P.; Lans, M.; Gerlache, J. de; Roberfroid, M.

    1988-04-01

    A histochemical technique for detection of the in vivo induced cellular aldehydes based on the direct Schiff's reaction is reported in this paper. CCl/sub 4/-intoxicated rat liver was used as an experimental model. Fresh and non-pretreated rat liver cryostat sections fixed in 10% formol calcium solution and washed in distilled water were exposed to Schiff's reagent. The sections were then immersed in two baths of sodium bisulphite solution, then in water, dehydrated in ethanol, cleared in xylene and mounted in a synthetic anhydrous mounting medium. As Schiff positive areas presented well circumscribed foci which increased with time following intoxication, semiquantitative planimetric measurements were feasible. The direct Schiff's reaction detects cellular aldehydes in a sensitive, rapid histologically and topographically estimable way. The appearance of these aldehydes precedes distinctly morphological alterations detectable by other histochemical of histological techniques. No positive results were obtained in control, non-intocicated rat livers. Inhibitons of this direct Schiff's was obtained in positive control rat liver sections preincubated in solutions of aldehyde blockers. Histochemical detection of aldehydes may give useful information on different aspects of tissue and organ intoxication such as their topography, appearance, evolution, extension, consequences and effects of treatment. The direct Schiff's reaction can be considered as a valuable tool in fundamental and applied reasearch dealing with various toxicological, environmental, pathological, cancer-related and therapeutic problems.

  10. Direct and inverse reactions of LiH+ with He(1S) from quantum calculations: mechanisms and rates.

    Science.gov (United States)

    Tacconi, M; Bovino, S; Gianturco, F A

    2012-01-14

    The gas-phase reaction of LiH(+) (X(2)Σ) with He((1)S) atoms, yielding Li(+)He with a small endothermicity for the rotovibrational ground state of the reagents, is analysed using the quantum reactive approach that employs the Negative Imaginary Potential (NIP) scheme discussed earlier in the literature. The dependence of low-T rates on the initial vibrational state of LiH(+) is analysed and the role of low-energy Feshbach resonances is also discussed. The inverse destruction reaction of LiHe(+), a markedly exothermic process, is also investigated and the rates are computed in the same range of temperatures. The possible roles of these reactions in early universe astrophysical networks, in He droplets environments or in cold traps are briefly discussed.

  11. Direct measurement of the 7Be(n, α4 He reaction cross sections for the cosmological Li problem

    Directory of Open Access Journals (Sweden)

    Kawabata Takahiro

    2017-01-01

    Full Text Available The cross sections of the 7Be(n, α4He reaction for p-wave neutrons were experimentally determined at Ec.m. = 0.20−0.81 MeV close to the Big Bang nucleosynthesis (BBN energy window for the first time on the basis of the detailed balance principle by measuring the time-reverse reaction. The obtained cross sections are much larger than the cross sections for s-wave neutrons inferred from the recent measurement at the n_TOF facility in CERN, but significantly smaller than the theoretical estimation widely used in the BBN calculations. The present results suggest the 7Be(n, α4 He reaction rate is not large enough to solve the cosmological lithium problem

  12. Study of the hydrolysis reaction of the copper-chloride hybrid thermochemical cycle using optical spectrometries

    International Nuclear Information System (INIS)

    Doizi, D.; Borgard, J.M.; Dauvois, V.; Roujou, J.L.; Zanella, Y.; Croize, L.; Cartes, Ph.; Hartmann, J.M.

    2010-01-01

    The copper-chloride hybrid thermochemical cycle is one of the best potential low temperature thermochemical cycles for the massive production of hydrogen. It could be used with nuclear reactors such as the sodium fast reactor or the supercritical water reactor. Nevertheless, this thermochemical cycle is composed of an electrochemical reaction and two thermal reactions. Its efficiency has to be compared with other hydrogen production processes like alkaline electrolysis for example. The purpose of this article is to study the viability of the copper chloride thermochemical cycle by studying the hydrolysis reaction of CuCl 2 which is not favoured thermodynamically. To better understand the occurrence of possible side reactions, together with a good control of the kinetics of the hydrolysis reaction, the use of optical absorption spectrometries, UV visible spectrometry to detect molecular chlorine which may be formed in side reactions, FTIR spectrometry to follow the concentrations of H 2 O and HCl is proposed. (authors)

  13. The 14N(p, γ)15O reaction studied at low and high beam energy

    International Nuclear Information System (INIS)

    Marta, Michele

    2012-01-01

    The Bethe-Weizsaecker cycle consists of a set of nuclear reactions that convert hydrogen into helium and release energy in the stars. It determines the luminosity of low-metal stars at their turn-off from the main-sequence in the Hertzsprung-Russel diagram, so its rate enters the calculation of the globular clusters' age, an independent lower limit on the age of the universe. The cycle contributes less than 1% to our Sun's luminosity, but it produces neutrinos that can in principle be measured on Earth in underground experiments and bring direct information of the physical conditions in the solar core, provided that the nuclear reaction rate is known with sufficient precision. The 14 N(p,γ) 15 O reaction is the slowest reaction of the Bethe-Weizsaecker cycle and establishes its rate. Its cross section is the sum of the contributions by capture to different excited levels and to the ground state in 15 O. Recent experiments studied the region of the resonance at E p = 278 keV. Only one modern data set from an experiment performed in 1987 is available for the high-energy domain. Both energy ranges are needed to constrain the fit of the excitation function in the R-matrix framework and to obtain a reliable extrapolated S-factor at the very low astrophysical energies. The present research work studied the 14 N(p,γ) 15 O reaction in the LUNA (Laboratory for Underground Nuclear Astrophysics) underground facility at three proton energies 0.36, 0.38, 0.40MeV, and in Dresden in the energy range E p = 0.6 - 2MeV. In both cases, an intense proton beam was sent on solid titanium nitride sputtered targets, and the prompt photons emitted from the reaction were detected with germanium detectors. At LUNA, a composite germanium detector was used. This enabled a measurement with dramatically reduced summing corrections with respect to previous studies. The cross sections for capture to the ground state and to the excited states at 5181, 6172, and 6792 keV in 15 O have been

  14. Future Directions for Business Education: A Delphi Study

    Science.gov (United States)

    Kesten, Cyril A.; Lambrecht, Judith J.

    2010-01-01

    Purpose: The purpose of this study was to synthesize perceptions from the field about current issues and to propose future directions for the field of business education. Method: A modified three-stage Delphi study was carried out with business educators who attended national conferences and/or belonged to national professional organizations.…

  15. Study of the Kinetics of an S[subscript N]1 Reaction by Conductivity Measurement

    Science.gov (United States)

    Marzluff, Elaine M.; Crawford, Mary A.; Reynolds, Helen

    2011-01-01

    Substitution reactions, a central part of organic chemistry, provide a model system in physical chemistry to study reaction rates and mechanisms. Here, the use of inexpensive and readily available commercial conductivity probes coupled with computer data acquisition for the study of the temperature and solvent dependence of the solvolysis of…

  16. Key pharmacovigilance stakeholders' experiences of direct patient reporting of adverse drug reactions and their prospects of future development in the European Union.

    Science.gov (United States)

    Inácio, P; Cavaco, A; Allan, E; Airaksinen, M

    2018-02-01

    In the European Union (EU), legislation allows patients to directly report adverse drug reactions (ADRs) to competent authorities. Five years after its implementation, patient reporting is not equal in all countries. This study aimed to explore key stakeholders' perceptions of patient reporting in four EU countries. Qualitative study design. Twelve representatives from national pharmacovigilance centres and/or authorities as well as national pharmaceutical industry bodies in four EU countries participated in the study. Supranational organizations were also included. Data collection was via face-semi-structured interviews. Inductive content analysis was performed thereafter, applying principles of risk management as a theoretical framework. Four themes (attitudes and beliefs, system maturation factors, regulatory improvements, and cultural shifts) emerged, conceptually interconnected. Participants from countries introducing patient reporting recently expressed a negative attitude. Participants highlighted the need for additional resources, both human and financial, to address patient reporting and associated advantages. The findings identified perceived barriers and facilitators of patient reporting. The involvement of patients, use of information, and dissemination of patient reporting are far from optimal. A better integration of the work by EU regulatory authorities is recommended. Copyright © 2017 The Royal Society for Public Health. Published by Elsevier Ltd. All rights reserved.

  17. A Study on the Performance of the Split Reaction Water Turbine with Guide Ribs

    Science.gov (United States)

    Allen, Deuel H.; Villanueva, Eliseo P.

    2015-09-01

    The development of technologies that make use of renewable energy is of great significance presently. A new kind of turbine called Split Reaction Water Turbine (SRWT) using PVC pipes as material is a major contribution towards harnessing the energy potentials of small stream low head water resources. SRWTs of diameter to height ratio (D/H = 110 cm/160 cm) were tested at the MSU-IIT College of Engineering Fluid Engineering Laboratory. Data on volumetric flow and pressure head at the turbine inlet of the SRWT were recorded using National Instrument Data Processing System using LabView software. In later experiments, guide ribs were installed at the vane of the exit nozzles in order to determine the difference in the performance of the ribbed and the non-ribbed SRWT. Simulations of the running SRWT were conducted using SOLIDWORKS software. Results of the simulations aided in the thorough analyses of the data from the experimental runs. A comparison of data from the ribbed and non-ribbed SRWT shows that guide ribs were effective in directing the momentum of the exiting water to improve the speed of rotation. In this study, the increase in the speed of the Split Reaction Water Turbine was as much as 46%.

  18. Application of adjustable pulse lasers to studying rapid reaction kinetics of excited lanthanide complexing

    Energy Technology Data Exchange (ETDEWEB)

    Gruzdev, V.P. (Gosudarstvennyj Opticheskij Inst., Leningrad (USSR))

    1983-12-01

    Using some europium (3) ion complexes new possibilities to be opened by application of adjustable pulse lasers for studying rapid reactions of electron-excited metal ion complexing are demonstrated. The 6Zh rhodamine pulse laser is used as a source of nonequilibrium photoexcitation of an array of Eu/sup 3 +/ complexes in the luminescent kinetic spectroscopy method. The following results are obtained: for the first time the rate of reaction of acetate ion substitution for water molecules of an excited (/sup 5/D/sub 0/) ion of Eu/sup 3 +/ was measured to be (0.7+-0.2)x10/sup 7/ s/sup -1/; using direct experiments the lower limit for the rate of transition of one isomeric form of the excited Eu x EDTA complex into another one in an aqueous solution is determined to be 5x10/sup 5/ s/sup -1/ at 295 K; the kinetics of the excitation energy migration beteen aqueous solvates of Eu/sup 3 +/ and EuxEDTA complexes is investigated.

  19. Reactions of laser ablated uranium with nitrogen studied using matrix isolation spectroscopy

    International Nuclear Information System (INIS)

    Sankaran, K.; Sundararajan, K.; Viswanathan, K.S.

    1999-01-01

    Unusual reactions were found to occur when uranium was laser ablated in the presence of nitrogen. The reaction products were trapped in a rigid inert gas matrix and studied using infrared spectroscopy. The species formed were strongly dependent on the partial pressure of nitrogen in the matrix gas used during the ablation process; at low nitrogen partial pressures uranium dinitride (NUN) was the major reaction product, while at high partial pressures of nitrogen the mononitride, UN, was the predominant product. (author)

  20. Pragmatic Study of Directive Speech Acts in Stories in Alquran

    Directory of Open Access Journals (Sweden)

    Rochmat Budi Santosa

    2016-10-01

    Full Text Available This study aims at describing the directive speech acts in the verses that contain the stories in the Qur'an. Specifically, the objectives of this study are to assess the sub directive speech acts contained in the verses of the stories and the dominant directive speech acts. The research target is the verses (ayat containing stories in the Qur’an. This study emphasizes the problem of finding the meaning of verses pragmatically. The data in this study are all expressions of verses about the stories in the Qur'an that contain directive speech acts. In addition, the data in the form of contexts behind the emergence of the verses in the Qur’an story also included. Data collection technique used is the reading and record techniques. The data analysis was conducted using content analysis. Analysis of the data by classifying directive speech acts into 6 (six categories of Bach and Harnish theory namely; requestives, questions, requirements, prohibitive, permissives, and advisories. The result is that the requestives speech act consist only 1 (one paragraph, namely sub-directive asking for patience. In sub-directive questions, there are 4 (four questions that have meaning to ask about what, question tag, why, asking for permission, who, where, which, possibilities, and offering. For sub-requirements directive there are 60 (sixty types of command. Pray command is the most number (24 verses and command for giving attention is the second position with 21 verses. About sub-directive prohibitives, we found 19 kinds of restrictions. As for permissives, there is only one (1 verse that allows punishment. In advisories that there are 2 kinds of advises, they are 1 verse that counsel for fear of punishment of God, and advise to be humble (1 verse. Thus it can be said that the stories in the Alquran really contain messages, including a message to the people to carry out the commands of God and away from His prohibition. The purpose is to crystallize the basic

  1. The Brønsted Acid-Catalyzed, Enantioselective Aza-Diels-Alder Reaction for the Direct Synthesis of Chiral Piperidones.

    Science.gov (United States)

    Weilbeer, Claudia; Sickert, Marcel; Naumov, Sergei; Schneider, Christoph

    2017-01-12

    We disclose herein the first enantioselective aza-Diels-Alder reaction of β-alkyl-substituted vinylketene silyl-O,O-acetals and imines furnishing a broad range of optically highly enriched 4-alkyl-substituted 2-piperidones. As a catalyst for this one-pot reaction we employed a chiral phosphoric acid which effects a vinylogous Mannich reaction directly followed by ring-closure to the lactam. Subsequent fully diastereoselective transformations including hydrogenation, enolate alkylation, and lactam alkylation/reduction processes converted the cycloadducts into various highly substituted piperidines of great utility for the synthesis of natural products and medicinally active compounds. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Mantra, music and reaction times: a study of its applied aspects

    Directory of Open Access Journals (Sweden)

    Varun Malhotra, Rinku Garg, Usha Dhar, Neera Goel, Yogesh Tripathy, Iram Jaan, Sachit Goyal, Sumit Arora

    2014-11-01

    Full Text Available Aims &Objectives: The mechanism of the effects of music is still under scientific study and needs to be understood in a better way. We designed this study to see how music affects reaction time and concentration. The aim of our study was to study the effect of Gayatri mantra on reaction time. Material and Methods: 30 healthy subjects were selected for the study. Baseline record of Visual online Reaction time test was taken. Online visual reaction time was measured during listening to Gayatri Mantra was taken. Results:The reaction times decreased significantly p<0.001. Conclusion: Listening to music at work area reduces distractions, helps increase concentration and delays fatigue. It can be used to heal tinnitus, as an educational tool to develop children with special needs, Alzheimers disease, to improve motor skills in Parkinsonism and help alleviate pain after surgery.

  3. Studying Chemical Reactions, One Bond at a Time, with Single Molecule AFM Techniques

    Science.gov (United States)

    Fernandez, Julio M.

    2008-03-01

    The mechanisms by which mechanical forces regulate the kinetics of a chemical reaction are unknown. In my lecture I will demonstrate how we use single molecule force-clamp spectroscopy and protein engineering to study the effect of force on the kinetics of thiol/disulfide exchange. Reduction of disulfide bond via the thiol/disulfide exchange chemical reaction is crucial in regulating protein function and is of common occurrence in mechanically stressed proteins. While reduction is thought to proceed through a substitution nucleophilic bimolecular (SN2) reaction, the role of a mechanical force in modulating this chemical reaction is unknown. We apply a constant stretching force to single engineered disulfide bonds and measure their rate of reduction by dithiothreitol (DTT). We find that while the reduction rate is linearly dependent on the concentration of DTT, it is exponentially dependent on the applied force, increasing 10-fold over a 300 pN range. This result predicts that the disulfide bond lengthens by 0.34 å at the transition state of the thiol/disulfide exchange reaction. In addition to DTT, we also study the reduction of the engineered disulfide bond by the E. coli enzyme thioredoxin (Trx). Thioredoxins are enzymes that catalyze disulfide bond reduction in all organisms. As before, we apply a mechanical force in the range of 25-450 pN to the engineered disulfide bond substrate and monitor the reduction of these bonds by individual enzymes. In sharp contrast with the data obtained with DTT, we now observe two alternative forms of the catalytic reaction, the first requiring a reorientation of the substrate disulfide bond, causing a shortening of the substrate polypeptide by 0.76±0.07 å, and the second elongating the substrate disulfide bond by 0.21±0.01 å. These results support the view that the Trx active site regulates the geometry of the participating sulfur atoms, with sub-ångström precision, in order to achieve efficient catalysis. Single molecule

  4. Model independent spectroscopic information from an analysis of peripheral direct radiative capture reaction and its application for an extrapolation of an astrophysical S-factor to stellar energies

    International Nuclear Information System (INIS)

    Igamov, S.B.; Tursunmuratov, T.M.; Yarmukhamedov, R.

    2003-01-01

    In this work, within the framework of the cluster potential approach we develop a method which can be used an independent source of getting information on the value of the nuclear vertex constant (NVC) (or respective asymptotical normalization coefficient (ANC)) from the analysis of the direct radiative capture cross section σ(E)(or the astrophysical S-factor S(E)) at extremely low energies by a model independent way as possible. The main idea of the proposed method is that at stellar energies peripheral direct radiative capture reaction of astrophysical interest proceeds mainly through the tail of the overlap integral, which is completely determined by the binding energy and the respective ANC (or NVC). The main advantage of the proposed method is that it allows us to determine both the absolute value of NVC (or ANC) and the astrophysical S-factor S(E) at solar energies (0-50 keV) by means of the analysis of the same experimental astrophysical S-factor S exp (E) in a correct self consistent way using the same potential both for the bound state and for scattering state. The method has been applied for an investigation of the direct radiative capture t(α, γ) 7 Li and 3 He(α, γ) 7 Be reactions at extremely low energies. At first, this method was used for analysis of the S exp (E) to determine values of the modulus squared of the NVC's (or the respective ANC's). The values of NVC's are presented. Then, the obtained NVC's are used by us for extrapolation of the S(E) of the reactions considered to stellar energies (E=0-50 keV) for the 3 He(α, γ) 7 Be reaction and for the t(α, γ) 7 Li reaction. The obtained results are compared with those other authors

  5. Exafs studies of coprecipitation and adsorption reactions of Tc

    Energy Technology Data Exchange (ETDEWEB)

    Bunker, D.J.; Jones, M.J.; Livens, F.R.; Collison, D. [Manchester Univ. (United Kingdom). Dept. of Chemistry; Pattrick, R.A.D. [Manchester Univ., Dept. of Earth Sciences (United Kingdom); Charnock, J.M. [CLRC Daresbury Laboratoire, Warrington Cheshire (United Kingdom)

    2000-07-01

    Adsorption and coprecipitation reactions may be a simple way of removing [TcO{sub 4}]{sup -} from aqueous solution. The effectiveness of a range of potential adsorbents and precipitants has been evaluated and some are capable of near quantitative (>98%) removal of [TcO{sub 4}){sup -} from solution. X-ray absorption near edge structure (XANES) has been used to determine Tc oxidation states and extended X-ray absorption fine structure spectroscopy (EXAFS) has been used to identify the local environment of Tc. The absorption edge position has been determined, using [PPh{sub 4}][TcO{sub 4}], TcS{sub 2} and Tc{sub 2}S{sub 7} as model compounds, and is diagnostic of Tc oxidation state. In a series of experiments investigating FeS coprecipitation, Tc was reduced to oxidation state (IV) and its local environment resembled that in TcO{sub 2} (6 O atoms at approximately 2.0 Angstrom). (authors)

  6. Study on fluorescence of Maillard reaction compounds in breakfast cereals.

    Science.gov (United States)

    Delgado-Andrade, Cristina; Rufián-Henares, José A; Morales, Francisco J

    2006-09-01

    During the advanced stage of the Maillard reaction (MR) in food processing and cooking, Amadori rearrangement products undergo dehydration and fission and fluorescent substances are formed. Free and total (free + linked to the protein backbone) fluorescence (FIC) due to Maillard compounds in 60 commercial breakfast cereals was evaluated. Pronase was used for efficient release of linked fluorescent Maillard compounds from the protein backbone. Results were correlated with some heat-induced markers of the extent of the MR or sugar caramelisation during cereal processing, such as hydroxymethylfurfural, furfural, glucosilisomaltol and furosine. The effect of sample composition (dietary-fibre added, protein, etc.) on levels of FIC, expressed as fluorescence intensity (FI) per milligram of sample, is discussed. FIC is significantly correlated to the protein content of the sample and fluorescent Maillard compounds are mainly linked to the protein backbone. The ratio of total-FIC to free-FIC was 10.4-fold for corn-based, wheat-based and multicereal-based breakfast cereals but significantly higher in rice-based samples. Addition of dietary fibre or honey increased the FIC values. Data support the usefulness of FIC measurement as an unspecific heat-induced marker in breakfast cereals.

  7. Sodium-water reaction studies for MONJU steam generators

    International Nuclear Information System (INIS)

    Hori, M.; Sato, M.; Nei, H.; Harasaki, T.; Hishida, M.; Saito, T.

    1975-01-01

    The R and D results of the PNC's sodium-water reaction project are reviewed. The purposes of the project with the specific object for each test rig and computer code are given. The test items which should be investigated for the safety evaluation of the MONJU steam generators are discussed, and the status of the PNC's work on each item is described. The results on the small-leak wastage measurement are shown and the improved experimental equations to predict the wastage rate from the leak rate and the sodium temperature are given. The preliminary results on the wastage of tube bundle in the intermediate leak range are shown. The depth and the area of the wastage and also the wastage rate for each tube are shown graphically. The measured peak value of the initial pressure spike for the large leak is shown. The scatter of the data and its causes are discussed. The bubble growth rate estimated from the void probe measurement is presented. The results of the simulation experiment on the pressure wave propagation to the secondary circuit are given, comparing them with the prediction by the one-dimensional computer codes SWAC-5K and SWAC-5H. (author)

  8. Kinetic studies on the reaction between dicyanocobinamide and hypochlorous acid.

    Directory of Open Access Journals (Sweden)

    Dhiman Maitra

    Full Text Available Hypochlorous acid (HOCl is a potent oxidant generated by myeloperoxidase (MPO, which is an abundant enzyme used for defense against microbes. We examined the potential role of HOCl in corrin ring destruction and subsequent formation of cyanogen chloride (CNCl from dicyanocobinamide ((CN2-Cbi. Stopped-flow analysis revealed that the reaction consists of at least three observable steps, including at least two sequential transient intermediates prior to corrin ring destruction. The first two steps were attributed to sequential replacement of the two cyanide ligands with hypochlorite, while the third step was the destruction of the corrin ring. The formation of (OCl(CN-Cbi and its conversion to (OCl2-Cbi was fitted to a first order rate equation with second order rate constants of 0.002 and 0.0002 µM(-1 s(-1, respectively. The significantly lower rate of the second step compared to the first suggests that the replacement of the first cyanide molecule by hypochlorite causes an alteration in the ligand trans effects changing the affinity and/or accessibility of Co toward hypochlorite. Plots of the apparent rate constants as a function of HOCl concentration for all the three steps were linear with Y-intercepts close to zero, indicating that HOCl binds in an irreversible one-step mechanism. Collectively, these results illustrate functional differences in the corrin ring environments toward binding of diatomic ligands.

  9. Sodium-water reaction studies for MONJU steam generators

    Energy Technology Data Exchange (ETDEWEB)

    Hori, M; Sato, M; Nei, H; Harasaki, T; Hishida, M; Saito, T

    1975-07-01

    The R and D results of the PNC's sodium-water reaction project are reviewed. The purposes of the project with the specific object for each test rig and computer code are given. The test items which should be investigated for the safety evaluation of the MONJU steam generators are discussed, and the status of the PNC's work on each item is described. The results on the small-leak wastage measurement are shown and the improved experimental equations to predict the wastage rate from the leak rate and the sodium temperature are given. The preliminary results on the wastage of tube bundle in the intermediate leak range are shown. The depth and the area of the wastage and also the wastage rate for each tube are shown graphically. The measured peak value of the initial pressure spike for the large leak is shown. The scatter of the data and its causes are discussed. The bubble growth rate estimated from the void probe measurement is presented. The results of the simulation experiment on the pressure wave propagation to the secondary circuit are given, comparing them with the prediction by the one-dimensional computer codes SWAC-5K and SWAC-5H. (author)

  10. Enantioselective Decarboxylative Alkylation Reactions: Catalyst Development, Substrate Scope, and Mechanistic Studies

    KAUST Repository

    Behenna, Douglas C.; Mohr, Justin T.; Sherden, Nathaniel H.; Marinescu, Smaranda C.; Harned, Andrew M.; Tani, Kousuke; Seto, Masaki; Ma, Sandy; Nová k, Zoltá n; Krout, Michael R.; McFadden, Ryan M.; Roizen, Jennifer L.; Enquist, John A.; White, David E.; Levine, Samantha R.; Petrova, Krastina V.; Iwashita, Akihiko; Virgil, Scott C.; Stoltz, Brian M.

    2011-01-01

    α-Quaternary ketones are accessed through novel enantioselective alkylations of allyl and propargyl electrophiles by unstabilized prochiral enolate nucleophiles in the presence of palladium complexes with various phosphinooxazoline (PHOX) ligands. Excellent yields and high enantiomeric excesses are obtained from three classes of enolate precursor: enol carbonates, enol silanes, and racemic β-ketoesters. Each of these substrate classes functions with nearly identical efficiency in terms of yield and enantioselectivity. Catalyst discovery and development, the optimization of reaction conditions, the exploration of reaction scope, and applications in target-directed synthesis are reported. Experimental observations suggest that these alkylation reactions occur through an unusual inner-sphere mechanism involving binding of the prochiral enolate nucleophile directly to the palladium center.

  11. Enantioselective Decarboxylative Alkylation Reactions: Catalyst Development, Substrate Scope, and Mechanistic Studies

    Science.gov (United States)

    Behenna, Douglas C.; Mohr, Justin T.; Sherden, Nathaniel H.; Marinescu, Smaranda C.; Harned, Andrew M.; Tani, Kousuke; Seto, Masaki; Ma, Sandy; Novák, Zoltán; Krout, Michael R.; McFadden, Ryan M.; Roizen, Jennifer L.; Enquist, John A.; White, David E.; Levine, Samantha R.; Petrova, Krastina V.; Iwashita, Akihiko; Virgil, Scott C.; Stoltz, Brian M.

    2012-01-01

    α-Quaternary ketones are accessed through novel enantioselective alkylations of allyl and propargyl electrophiles by unstabilized prochiral enolate nucleophiles in the presence of palladium complexes with various phosphinooxazoline (PHOX) ligands. Excellent yields and high enantiomeric excesses are obtained from three classes of enolate precursors: enol carbonates, enol silanes, and racemic β-ketoesters. Each of these substrate classes functions with nearly identical efficiency in terms of yield and enantioselectivity. Catalyst discovery and development, the optimization of reaction conditions, the exploration of reaction scope, and applications in target-directed synthesis are reported. Experimental observations suggest that these alkylation reactions occur through an unusual inner-sphere mechanism involving binding of the prochiral enolate nucleophile directly to the palladium center. PMID:22083969

  12. Enantioselective Decarboxylative Alkylation Reactions: Catalyst Development, Substrate Scope, and Mechanistic Studies

    KAUST Repository

    Behenna, Douglas C.

    2011-11-14

    α-Quaternary ketones are accessed through novel enantioselective alkylations of allyl and propargyl electrophiles by unstabilized prochiral enolate nucleophiles in the presence of palladium complexes with various phosphinooxazoline (PHOX) ligands. Excellent yields and high enantiomeric excesses are obtained from three classes of enolate precursor: enol carbonates, enol silanes, and racemic β-ketoesters. Each of these substrate classes functions with nearly identical efficiency in terms of yield and enantioselectivity. Catalyst discovery and development, the optimization of reaction conditions, the exploration of reaction scope, and applications in target-directed synthesis are reported. Experimental observations suggest that these alkylation reactions occur through an unusual inner-sphere mechanism involving binding of the prochiral enolate nucleophile directly to the palladium center.

  13. Conscientiousness and reactions to psychological contract breach: a longitudinal field study.

    Science.gov (United States)

    Orvis, Karin A; Dudley, Nicole M; Cortina, Jose M

    2008-09-01

    The authors examined the role of employee conscientiousness as a moderator of the relationships between psychological contract breach and employee behavioral and attitudinal reactions to the breach. They collected data from 106 newly hired employees within the 1st month of employment (Time 1), 3 months later (Time 2), and 8 months after Time 1 (Time 3) to observe the progression through contract development, breach, and reaction. Results suggest that conscientiousness is a significant moderator for 4 of the 5 contract breach-employee reaction relationships examined (turnover intentions, organizational loyalty, job satisfaction, and 1 of 2 facets of job performance). Specifically, employees who were lower in conscientiousness had more negative reactions to perceived breach with respect to turnover intentions, organizational loyalty, and job satisfaction. In contrast, employees who were higher in conscientiousness reduced their job performance to a greater degree in response to contract breach. Future research directions are discussed.

  14. High resolution time-of-flight spectrometer for crossed molecular beam study of elementary chemical reactions

    International Nuclear Information System (INIS)

    Qiu Minghui; Che Li; Ren Zefeng; Dai Dongxu; Wang Xiuyan; Yang Xueming

    2005-01-01

    In this article, we describe an apparatus in our laboratory for investigating elementary chemical reactions using the high resolution time-of-flight Rydberg tagging method. In this apparatus, we have adopted a rotating source design so that collision energy can be changed for crossed beam studies of chemical reactions. Preliminary results on the HI photodissociation and the F atom reaction with H 2 are reported here. These results suggest that the experimental apparatus is potentially a powerful tool for investigating state-to-state dynamics of elementary chemical reactions

  15. Studies of gas phase ion/molecule reactions by Fourier transform ion cyclotron resonance mass spectrometry

    International Nuclear Information System (INIS)

    Kleingeld, J.C.

    1984-01-01

    An important field in which Fourier-transform ion cyclotron resonance has useful applications is that of gas phase ion chemistry, the subject of this thesis. First, the general picture of ion-molecule reactions in the gas phase is discussed. Next, some positive ion-molecule reactions are described, whereas the remaining chapters deal with negative ion-molecule reactions. Most of these studies have been performed using the FT-ICR method. Reactions involving H 3 O - and NH 4 - ions are described whereas the other chapters deal with larger organic complexes. (Auth.)

  16. Quadrupole type mass spectrometric study of the abstraction reaction between hydrogen atoms and ethane.

    Science.gov (United States)

    Bayrakçeken, Fuat

    2008-02-01

    The reactions of photochemically generated deuterium atoms of selected initial translational energy with ethane have been investigated. At each initial energy the relative probability of the atoms undergoing reaction or energy loss on collision with ethane was investigated, and the phenomenological threshold energy was measured as 30+/-5kJmol(-1) for the abstraction from the secondary C-H bonds. The ratio of relative yields per bond, secondary:primary was approximately 3 at the higher energies studied. The correlation of threshold energies with bond dissociation energies, heats of reaction and activation energies is discussed for abstraction reactions with several hydrocarbons.

  17. Drift-tube studies of ion-molecule reactions at low collision energies

    International Nuclear Information System (INIS)

    Chatterjee, B.K.

    1988-01-01

    This thesis presents experimental studies of ion-molecule reactions at low collision energies using two drift tube mass spectrometer apparatus. The reactions studied are (i) proton transfer from HeH + to ArH + , (ii) charge and ion transfer reactions of O 2 2+ with NO, CO 2 , Ne and O 2 + ( 4 π u ) with CO 2 , (iii) oxidation reactions of Zr + and ZrO + with NO, CO 2 and O 2 , (iv) vibrational quenching reactions of H 3 + with He, (v) termolecular clustering reactions of H 2 CN + and H 2 CN + (HCN) (with He as the third body), (vi) three body association reactions of H + and D + with He (with He as the third body) and (vii) termolecular association reaction of NO + with NO (with Ne as third body). All the reactions were studied at thermal energies (at room temperature), reactions of O 2 2+ with NO and CO 2 , Zr + with NO/CO 2 /O 2 were also studied at center-of-mass energies higher than thermal and the association reactions of H 2 CN + /H 2 CN + (HCN) with HCN and H + /D + with He were studied at low temperatures. In addition, the thesis presents model calculations for the sweep-out effect which is an instrumental effect. A super Langevin rate constant is introduced which is a higher-order correction to the Langevin model. A theoretical model for the three-body ion-atom association rate constant is presented in the appendix of the thesis

  18. Chemical reactions on platinum-group metal surfaces studied by synchrotron-radiation-based spectroscopy

    International Nuclear Information System (INIS)

    Kondoh, Hiroshi; Nakai, Ikuyo; Nagasaka, Masanari; Amemiya, Kenta; Ohta, Toshiaki

    2009-01-01

    A new version of synchrotron-radiation-based x-ray spectroscopy, wave-length-dispersive near-edge x-ray absorption fine structure (dispersive-NEXAFS), and fast x-ray photoelectron spectroscopy have been applied to mechanistic studies on several surface catalytic reactions on platinum-group-metal surfaces. In this review, our approach using above techniques to understand the reaction mechanism and actual application studies on three well-known catalytic surface reactions, CO oxidation on Pt(111) and Pd(111), NO reduction on Rh(111), and H 2 O formation on Pt(111), are introduced. Spectroscopic monitoring of the progress of the surface reactions enabled us to detect reaction intermediates and analyze the reaction kinetics quantitatively which provides information on reaction order, rate constant, pre-exponential factor, activation energy and etc. Such quantitative analyses combined with scanning tunneling microscopy and kinetic Monte Carlo simulations revealed significant contribution of the adsorbate configurations and their dynamic changes to the reaction mechanisms of the above fundamental catalytic surface reactions. (author)

  19. Histological evaluation of tissue reactions to newly synthetized calcium silicate- and hydroxyapatite-based bioactive materials: in vivo study

    Directory of Open Access Journals (Sweden)

    Opačić-Galić Vanja

    2017-01-01

    Full Text Available Introduction/Objective. Development of materials which could be used as biological bone substitutes is one of the most valuable and active fields of biomaterial research. The goal of the study was to research the reaction of tissue on calcium silicate- (CS and hydroxyapatitebased (CS-HA newly synthesized nanomaterials, after being implanted into the subcutaneous tissue of a rats and direct pulp capping of rabbit teeth. Methods. The tested materials were implanted in 40 Wistar male rats, sacrificed after seven, 15, 30, and 60 days. The direct pulp capping was performed on the teeth of rabbits. Cavities were prepared on the vestibular surface of the incisors. The animals were sacrificed after 10 and 15 days. The control material was mineral trioxide aggregate (MTA. Histological analysis covered the tracking of inflammatory reaction cellular components, presence of gigantic cells, and necrosis of the tissue. Results. Seven days after the implantation, the strongest inflammatory response was given by the MTA (3.3 Ѓ} 0.48, while CS and CS-HA scored 3 ± 0.71. After 60 days, the rate of inflammatory reactions dropped, which was the least visible with CS-HA (0.2 ± 0.45. The least visible inflammatory reaction of the rabbits’ pulp tissue was spotted with the CS (1.83 ± 0.75, than with the MTA and CS-HA (2.67 ± 1.53, 3 ± 0.63. Conclusion. The newly synthesized materials caused a slight reaction of the subcutaneous tissue. CS-HA showed the best tissue tolerance. Nanostructural biomaterials caused a slight to moderate inflammatory reaction of the rabbits’ pulp tissue only in the immediate vicinity of the implanted material.

  20. Kinetic study on bonding reaction of gelatin with CdS nanopaticles by UV-visible spectroscopy.

    Science.gov (United States)

    Tang, Shihua; Wang, Baiyang; Li, Youqun

    2015-04-15

    The chemical kinetics on gelatin-CdS direct conjugates has been systematically investigated as a function of different temperature and reactant concentration (i.e. Cd(2+), S(2-) and gelatin) by UV-visible spectroscopy, for the first time. The nonlinear fitting and the differential method were used to calculate the initial rate based on the absorbance-time data. A double logarithmic linear equation for calculating the rate constant (k) and the reaction order (n) was introduced. The reaction kinetic parameters (n, k, Ea, and Z) and activation thermodynamic parameters (ΔG(≠), ΔH(≠), and ΔS(≠)) were obtained from variable temperature kinetic studies. The overall rate equation allowing evaluation of conditions that provide required reaction rate could be expressed as: r = 1.11 × 10(8) exp(-4971/T)[Cd(2+)][gelatin](0.6)[S(2-)](0.6) (M/S) The calculated values of the reaction rate are well coincide with the experimental results. A suitable kinetic model is also proposed. This work will provide guidance for the rational design of gelatin-directed syntheses of metal sulfide materials, and help to understand the biological effects of nanoparticles at the molecular level. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. In-pile study of the reaction between breeder fuel and sodium

    International Nuclear Information System (INIS)

    Hugot, J.P.

    1982-10-01

    Studies carried out until now show that the determinant parameter of fuel can failure evolution is the development of the reaction between mixed uranium and plutonium dioxide and sodium. The parameters of the reaction are presented from results of an out of pile study, as also results obtained from examination on pins failed in reactors. The best way to study in pile the development of the reaction was to irradiate at a constant power a fuel pin containing sodium. In the experiment, the pin was equipped with a central thermocouple. It shows, that the reaction is developing intergranularly, from cracks and interpellet spaces, in an internal fringe of the fuel before spreading to the periphery. An overheating of the pin is associated to the development of the reaction as also a modification of the fuel pin geometry and a reduction of the oxide [fr

  2. 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

  3. 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.

  4. Large area isotopic silicon targets for astrophysical reaction rate studies in Si-26

    NARCIS (Netherlands)

    Greene, JP; Berg, GPA

    2005-01-01

    For measurements of stellar reaction rates of proton rich nuclei involving resonance levels just above threshold, targets of Si-28 were used in studies of the Si-21(He-4, He-6)Si-26 reaction using the Research Center for Nuclear Physics (RCNP) Ring Cyclotron at Osaka University. Resonance structure

  5. Polymerase chain reaction-mediated DNA fingerprinting for epidemiological studies on Campylobacter spp

    NARCIS (Netherlands)

    Giesendorf, B A; Goossens, H; Niesters, H G; Van Belkum, A; Koeken, A; Endtz, H P; Stegeman, H; Quint, W G

    The applicability of polymerase chain reaction (PCR)-mediated DNA typing, with primers complementary to dispersed repetitive DNA sequences and arbitrarily chosen DNA motifs, to study the epidemiology of campylobacter infection was evaluated. With a single PCR reaction and simple gel electrophoresis,

  6. Reactions of lactose during heat treatment of milk : a quantitative study

    NARCIS (Netherlands)

    Berg, H.E.

    1993-01-01

    The kinetics of the chemical reactions of lactose during heat treatment of milk were studied. Skim milk and model solutions resembling milk were heated. Reaction products were determined and the influence of varying lactose, casein and fat concentration on the formation of these products

  7. Correlations and currents in 3He studied with the (e, e'pp) reaction

    NARCIS (Netherlands)

    Groep, David Leo

    2000-01-01

    Nucleon-nucleon correlations, especially those of short-range character, can be well studied with electron-induced two-nucleon knockout reactions at intermediate electron energies. However, these reactions are not only driven by one-body currents, i.e., coupling of the virtual photon to one of

  8. Reactivity and Regioselectivity in the Heck Reaction - A Hammett Study of 4-Substituted Styrenes

    DEFF Research Database (Denmark)

    Fristrup, Peter; Le Quement, Sebastian; Tanner, David Ackland

    2004-01-01

    The regioselectivity in the cationic Heck reaction of 4-substituted styrenes was addressed by a Hammett study. In this branching reaction, plots based on the substrate reactivity did not give meaningful data, whereas the product distribution was variable due to differing preferences for further...

  9. Suicide Survivors' Mental Health and Grief Reactions: A Systematic Review of Controlled Studies

    Science.gov (United States)

    Sveen, Carl-Aksel; Walby, Fredrik A.

    2008-01-01

    There has been a debate over several decades whether suicide survivors experience more severe mental health consequences and grief reactions than those who have been bereaved through other causes of death. This is the first systematic review of suicide survivors' reactions compared with survivors after other modes of death. Studies were identified…

  10. Cationic Pd(II-catalyzed C–H activation/cross-coupling reactions at room temperature: synthetic and mechanistic studies

    Directory of Open Access Journals (Sweden)

    Takashi Nishikata

    2016-05-01

    Full Text Available Cationic palladium(II complexes have been found to be highly reactive towards aromatic C–H activation of arylureas at room temperature. A commercially available catalyst [Pd(MeCN4](BF42 or a nitrile-free cationic palladium(II complex generated in situ from the reaction of Pd(OAc2 and HBF4, effectively catalyzes C–H activation/cross-coupling reactions between aryl iodides, arylboronic acids and acrylates under milder conditions than those previously reported. The nature of the directing group was found to be critical for achieving room temperature conditions, with the urea moiety the most effective in promoting facile coupling reactions at an ortho C–H position. This methodology has been utilized in a streamlined and efficient synthesis of boscalid, an agent produced on the kiloton scale annually and used to control a range of plant pathogens in broadacre and horticultural crops. Mechanistic investigations led to a proposed catalytic cycle involving three steps: (1 C–H activation to generate a cationic palladacycle; (2 reaction of the cationic palladacycle with an aryl iodide, arylboronic acid or acrylate, and (3 regeneration of the active cationic palladium catalyst. The reaction between a cationic palladium(II complex and arylurea allowed the formation and isolation of the corresponding palladacycle intermediate, characterized by X-ray analysis. Roles of various additives in the stepwise process have also been studied.

  11. Complementarity between neutron capture and heavy-ion reactions in nuclear structure studies

    International Nuclear Information System (INIS)

    Schult, O.W.B.

    1978-01-01

    The study of the complementarity of certain nuclear reactions in nuclear structure studies includes spectroscopic methods, nuclear rotation and coupling of nucleons to the core, and the de-excitation and structure of high lying states. 23 references

  12. 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

  13. Changes in corticospinal excitability and the direction of evoked movements during motor preparation: a TMS study.

    NARCIS (Netherlands)

    Elswijk, G.A.F. van; Schot, W.D.; Stegeman, D.F.; Overeem, S.

    2008-01-01

    BACKGROUND: Preparation of the direction of a forthcoming movement has a particularly strong influence on both reaction times and neuronal activity in the primate motor cortex. Here, we aimed to find direct neurophysiologic evidence for the preparation of movement direction in humans. We used

  14. Changes in corticospinal excitability and the direction of evoked movements during motor preparation: A tms study

    NARCIS (Netherlands)

    van Elswijk, G.; Schot, W.D.; Stegeman, D.F.; Overeem, S.

    2008-01-01

    Background: Preparation of the direction of a forthcoming movement has a particularly strong influence on both reaction times and neuronal activity in the primate motor cortex. Here, we aimed to find direct neurophysiologic evidence for the preparation of movement direction in humans. We used

  15. Evolution of direct mechanisms with incident energy from the Coulomb-barrier to relativistic energies. - Two-center effects in nucleon transfer between nuclei. - Signatures of nucleon promotion in heavy ion reactions at barrier energies

    International Nuclear Information System (INIS)

    Oertzen, W. von; Voit, H.; Imanishi, B.

    1988-10-01

    This report contains a review article considering the evolution of direct mechanisms with incident energy in heavy ion reactions and two theoretical articles concerning two-center effects in transfer reactions between heavy ions and the nucleon promotion in heavy ion reactions. See hints under the relevant topics. (HSI)

  16. Determining the direction of tooth grinding: an in vitro study.

    Science.gov (United States)

    ten Berge, F; te Poel, J; Ranjitkar, S; Kaidonis, J A; Lobbezoo, F; Hughes, T E; Townsend, G C

    2012-08-01

    The analysis of microwear patterns, including scratch types and widths, has enabled reconstruction of the dietary habits and lifestyles of prehistoric and modern humans. The aim of this in vitro study was to determine whether an assessment of microwear features of experimental scratches placed on enamel, perpendicularly to the direction of grinding, could predict the grinding direction. Experimental scratches were placed using a scalpel blade on standardised wear facets that had been prepared by wearing opposing enamel surfaces in an electromechanical tooth wear machine. These control 'baseline' facets (with unworn experimental scratches) were subjected to 50 wear cycles, so that differential microwear could be observed on the leading and trailing edges of the 'final' facets. In Group 1 (n=28), the 'footprint' microwear patterns corresponding to the known grinding direction of specimens in the tooth wear machine were identified. Then, they were used to predict the direction of tooth grinding blindly in the same sample after a 2-week intermission period. To avoid overfitting the predictive model, its sensitivity was also cross-validated in a new sample (Group 2, n=14). A crescent-shaped characteristic observed in most experimental scratches matched the grinding direction on all occasions. The best predictor of the direction of grinding was a combined assessment of the leading edge microwear pattern and the crescent characteristic (82.1% in Group 1 and 92.9% in Group 2). In conclusion, a simple scratch test can determine the direction of tooth grinding with high reliability, although further improvement in sensitivity is desirable. © 2012 Blackwell Publishing Ltd.

  17. Diagnostic Value of Tryptase in Food Allergic Reactions: A Prospective Study of 160 Adult Peanut Challenges.

    Science.gov (United States)

    Dua, Shelley; Dowey, James; Foley, Loraine; Islam, Sabita; King, Yvonne; Ewan, Pamela; Clark, Andrew T

    2018-02-27

    Serum tryptase is useful in diagnosing drug and venom anaphylaxis. Its utility in food anaphylaxis is unknown. The objective of this study was to determine whether tryptase rises in food allergic reactions, optimal sampling time points, and a diagnostic cutoff for confirming a clinical reaction. Characterized peanut allergic patients were recruited and underwent up to 4 peanut challenges and 1 placebo challenge each. Tryptase was measured serially on challenge days both before (baseline) and during the challenge. The peak percentage tryptase rise (peak/baseline) was related to reaction severity. Receiver operating characteristic (ROC) curves were generated establishing an optimal diagnostic cutoff. Tryptase was analyzed in 160 reactive (9% anaphylaxis) and 45 nonreactive (placebo) challenges in 50 adults aged 18 to 39 years. Tryptase rose above the normal range (11.4 ng/mL) in 4 of 160 reactions. When compared with baseline levels, a rise was observed in 100 of 160 (62.5%) reactions and 0 of 45 placebo challenges. The median rise (95% confidence interval [CI]) for all reactions was 25% (13.3% to 33.3%) and 70.8% (33.3% to 300%) during anaphylaxis. Peak levels occurred at 2 hours and correlated with severity (P food allergic reactions, and correlates with symptom severity. Comparing peak reaction levels at 2 hours with baseline is essential. A rise in tryptase of 30% is associated with food allergic reactions. Crown Copyright © 2018. Published by Elsevier Inc. All rights reserved.

  18. Direct observation, study and control of molecular super rotors

    Science.gov (United States)

    Korobenko, Aleksey; Milner, Alexander; Hepburn, John; Milner, Valery

    2014-05-01

    Extremely fast rotating molecules whose rotational energy is comparable with or exceeds the molecular bond strength are known as ``super rotors''. It has been speculated that super rotors may exhibit a number of unique properties, yet only indirect evidence of these molecular objects has been reported to date. We demonstrate the first direct observation of molecular super rotors by detecting coherent unidirectional molecular rotation with extreme frequencies exceeding 10 THz. The technique of an ``optical centrifuge'' is used to control the degree of rotational excitation in an ultra-broad range of rotational quantum numbers, reaching as high as N = 95 in oxygen and N = 60 in nitrogen. State-resolved detection enables us to determine the shape of the excited rotational wave packet and quantify the effect of centrifugal distortion on the rotational spectrum. Femtosecond time resolution reveals coherent rotational dynamics with increasing coherence times at higher angular momentum. We demonstrate that molecular super rotors can be created and observed in dense samples under normal conditions where the effects of ultrafast rotation on many-body interactions, inter-molecular collisions and chemical reactions can be readily explored.

  19. A comparative study of simple auditory reaction time in blind (congenitally) and sighted subjects.

    Science.gov (United States)

    Gandhi, Pritesh Hariprasad; Gokhale, Pradnya A; Mehta, H B; Shah, C J

    2013-07-01

    Reaction time is the time interval between the application of a stimulus and the appearance of appropriate voluntary response by a subject. It involves stimulus processing, decision making, and response programming. Reaction time study has been popular due to their implication in sports physiology. Reaction time has been widely studied as its practical implications may be of great consequence e.g., a slower than normal reaction time while driving can have grave results. To study simple auditory reaction time in congenitally blind subjects and in age sex matched sighted subjects. To compare the simple auditory reaction time between congenitally blind subjects and healthy control subjects. STUDY HAD BEEN CARRIED OUT IN TWO GROUPS: The 1(st) of 50 congenitally blind subjects and 2(nd) group comprises of 50 healthy controls. It was carried out on Multiple Choice Reaction Time Apparatus, Inco Ambala Ltd. (Accuracy±0.001 s) in a sitting position at Government Medical College and Hospital, Bhavnagar and at a Blind School, PNR campus, Bhavnagar, Gujarat, India. Simple auditory reaction time response with four different type of sound (horn, bell, ring, and whistle) was recorded in both groups. According to our study, there is no significant different in reaction time between congenital blind and normal healthy persons. Blind individuals commonly utilize tactual and auditory cues for information and orientation and they reliance on touch and audition, together with more practice in using these modalities to guide behavior, is often reflected in better performance of blind relative to sighted participants in tactile or auditory discrimination tasks, but there is not any difference in reaction time between congenitally blind and sighted people.

  20. Study of highly excited high spin states via the (HI, α) reaction

    International Nuclear Information System (INIS)

    Kubono, S.

    1982-01-01

    Three subjects are discussed in this paper. 1) The mechanism of (HI, α) reactions is briefly studied. 2) Possible excitation of molecular resonance states of 12 C- 12 C in 24 Mg through the 12 C( 16 O, α) 24 Mg reaction were investigated. A precise measurement of the level widths in 24 Mg did not support the previous report that the molecular states seen in 12 C + 12 C scattering had been excited in the transfer reaction 12 C( 16 O, α) 24 Mg. 3) Highly excited states in 28 Si, which have a large parentage of 12 C- 16 O, were also studied via the 12 C( 20 Ne, α) 28 Si reaction. An angular correlation measurement revealed the lowest 8 + and 10 + states at 14.00 and 15.97 MeV, respectively, which were selectively excited in the 12 C( 20 Ne, α) reaction. These results suggest a possible new band in 28 Si. (author)

  1. Continued Statin Prescriptions After Adverse Reactions and Patient Outcomes: A Cohort Study.

    Science.gov (United States)

    Zhang, Huabing; Plutzky, Jorge; Shubina, Maria; Turchin, Alexander

    2017-08-15

    Many patients discontinue statin treatment, often after having a possible adverse reaction. The risks and benefits of continued statin therapy after an adverse reaction are not known. To examine the relationship between continuation of statin therapy (any prescription within 12 months after an adverse reaction) and clinical outcomes. Retrospective cohort study. Primary care practices affiliated with 2 academic medical centers. Patients with a presumed adverse reaction to a statin between 2000 and 2011. Information on adverse reactions to statins was obtained from structured electronic medical record data or natural-language processing of narrative provider notes. The primary composite outcome was time to a cardiovascular event (myocardial infarction or stroke) or death. Most (81%) of the adverse reactions to statins were identified from the text of electronic provider notes. Among 28 266 study patients, 19 989 (70.7%) continued receiving statin prescriptions after the adverse reaction. Four years after the presumed adverse event, the cumulative incidence of the composite primary outcome was 12.2% for patients with continued statin prescriptions, compared with 13.9% for those without them (difference, 1.7% [95% CI, 0.8% to 2.7%]; P statin was prescribed after the adverse reaction, 2014 (26.5%) had a documented adverse reaction to the second statin, but 1696 (84.2%) of those patients continued receiving statin prescriptions. The risk for recurrent adverse reactions to statins could not be established for the entire sample. It was also not possible to determine whether patients actually took the statins. Continued statin prescriptions after an adverse reaction were associated with a lower incidence of death and cardiovascular events. Chinese National Key Program of Clinical Science, National Natural Science Foundation of China, and Young Scientific Research Fund of Peking Union Medical College Hospital.

  2. Simulation Study of Shock Reaction on Porous Material

    International Nuclear Information System (INIS)

    Xu Aiguo; Zhang Guangcai; Pan Xiaofei; Zhu Jianshi

    2009-01-01

    Direct modeling of porous materials under shock is a complex issue. We investigate such a system via the newly developed material-point method. The effects of shock strength and porosity size are the main concerns. For the same porosity, the effects of mean-void-size are checked. It is found that local turbulence mixing and volume dissipation are two important mechanisms for transformation of kinetic energy to heat. When the porosity is very small, the shocked portion may arrive at a dynamical steady state; the voids in the downstream portion reflect back rarefactive waves and result in slight oscillations of mean density and pressure; for the same value of porosity, a larger mean-void-size makes a higher mean temperature. When the porosity becomes large, hydrodynamic quantities vary with time during the whole shock-loading procedure: after the initial stage, the mean density and pressure decrease, but the temperature increases with a higher rate. The distributions of local density, pressure, temperature and particle-velocity are generally non-Gaussian and vary with time. The changing rates depend on the porosity value, mean-void-size and shock strength. The stronger the loaded shock, the stronger the porosity effects. This work provides a supplement to experiments for the very quick procedures and reveals more fundamental mechanisms in energy and momentum transportation. (general)

  3. Survey Study of Trunk Materials for Direct ATRP Grafting

    Energy Technology Data Exchange (ETDEWEB)

    Saito, Tomonori [ORNL; Chatterjee, Sabornie [ORNL; Johnson, Joseph C. [ORNL; Dai, Sheng [ORNL; Brown, Suree [ORNL

    2015-02-01

    In previous study, we demonstrated a new method to prepare polymeric fiber adsorbents via a chemical-grafting method, namely atom-transfer radical polymerization (ATRP), and identified parameters affecting their uranium adsorption capacity. However, ATRP chemical grafting in the previous study still utilized conventional radiation-induced graft polymerization (RIGP) to introduce initiation sites on fibers. Therefore, the objective of the present study is to perform survey study of trunk fiber materials for direct ATRP chemical grafting method without RIGP for the preparation of fiber adsorbents for uranium recovery from seawater.

  4. Application of radioanalytical techniques in the study of the products of heavy-ion reactions

    International Nuclear Information System (INIS)

    Hoffman, D.C.

    1989-01-01

    The use of heavy ions to induce nuclear reactions was reported as early as 1950. Since then it has been one of the most active areas of nuclear research. Intense beams of ions as heavy as uranium with energies high enough to overcome the Coulomb barriers of even the heaviest elements are available. The large variety of possible reactions gives rise to a multitude of products, which have been studied by many chemical and physical techniques. Chemical techniques have been of special value for the separation and unequivocal identification of low-yield species from the plethora of other nuclides present. Heavy-ion reactions have been essential for the production of the transmendelevium elements and a host of new isotopes. The systematics of compound nucleus reactions, transfer reactions and deeply inelastic reactions have been elucidated using chemical techniques. The variety of chemical procedures and techniques which have been developed for the study of heavy-ion reactions and their products has been examined. The determination of the chemical properties of the transmendelevium elements, which are very short-lived and can only be produced an ''atom at a time'' via heavy-ion reactions, is discussed. (author)

  5. Quantum Dynamics Study of the Isotopic Effect on Capture Reactions: HD, D2 + CH3

    Science.gov (United States)

    Wang, Dunyou; Kwak, Dochan (Technical Monitor)

    2002-01-01

    Time-dependent wave-packet-propagation calculations are reported for the isotopic reactions, HD + CH3 and D2 + CH3, in six degrees of freedom and for zero total angular momentum. Initial state selected reaction probabilities for different initial rotational-vibrational states are presented in this study. This study shows that excitations of the HD(D2) enhances the reactivities; whereas the excitations of the CH3 umbrella mode have the opposite effects. This is consistent with the reaction of H2 + CH3. The comparison of these three isotopic reactions also shows the isotopic effects in the initial-state-selected reaction probabilities. The cumulative reaction probabilities (CRP) are obtained by summing over initial-state-selected reaction probabilities. The energy-shift approximation to account for the contribution of degrees of freedom missing in the six dimensionality calculation is employed to obtain approximate full-dimensional CRPs. The rate constant comparison shows H2 + CH3 reaction has the biggest reactivity, then HD + CH3, and D2 + CH3 has the smallest.

  6. Reactions of linoleic acid peroxyl radicals with phenolic antioxidants: a pulse radiolysis study

    International Nuclear Information System (INIS)

    Erben-Russ, Michael; Bors, Wolf; Saran, Manfred

    1987-01-01

    Linoleic acid peroxyl radicals (LOO) can be viewed as model intermediates occurring during lipid peroxidation processes. Formation and reactions of these species were investigated in aqueous alkaline solution using pulse radiolysis combined with kinetic spectroscopy. Irradiation of linoleic acid in N 2 O/O 2 -saturated solutions leads to a mixture of peroxyl radical isomers; reaction of 13-hydroperoxylinoleic acid (13-LOOH) with azide radicals in N 2 O-saturated solution produces 13-LOO radicals specifically. These peroxyl radicals cannot be observed directly, but their reactions with kaempferol and quercetin, acting as radical-scavenging antioxidants, produced strongly absorbing aroxyl radicals (ArO). The same aroxyl radicals were generated by OH and N 3 with rate constants exceeding 10 9 dm 3 mol -1 s -1 . Applying a reaction scheme that includes competing generation and decay reactions of both LOO and ArO radicals, individual rate constants were derived for LOO reactions with the phenols (> 10 7 dm 3 mol -1 s-? 1 ), with aroxyl radicals to form covalent adducts (> 10 8 dm 3 mol -1 s -1 ), as well as for their bimilecular decay (3.0 x 10 8 dm 3 mol -1 s -1 ). These results demonstrate high reactivity of fatty acid peroxyl radicals and flavone antioxidants in aqueous solution. (author)

  7. Reactions of linoleic acid peroxyl radicals with phenolic antioxidants: a pulse radiolysis study

    Energy Technology Data Exchange (ETDEWEB)

    Erben-Russ, M.; Bors, W.; Saran, M.

    1987-09-01

    Linoleic acid peroxyl radicals (LOO) can be viewed as model intermediates occurring during lipid peroxidation processes. Formation and reactions of these species were investigated in aqueous alkaline solution using pulse radiolysis combined with kinetic spectroscopy. Irradiation of linoleic acid in N/sub 2/O/O/sub 2/-saturated solutions leads to a mixture of peroxyl radical isomers; reaction of 13-hydroperoxylinoleic acid (13-LOOH) with azide radicals in N/sub 2/O-saturated solution produces 13-LOO radicals specifically. These peroxyl radicals cannot be observed directly, but their reactions with kaempferol and quercetin, acting as radical-scavenging antioxidants, produced strongly absorbing aroxyl radicals (ArO). The same aroxyl radicals were generated by OH and N/sub 3/ with rate constants exceeding 10/sup 9/ dm/sup 3/ mol/sup -1/ s/sup -1/. Applying a reaction scheme that includes competing generation and decay reactions of both LOO and ArO radicals, individual rate constants were derived for LOO reactions with the phenols (> 10/sup 7/ dm/sup 3/ mol/sup -1/ s-./sup 1/), with aroxyl radicals to form covalent adducts (> 10/sup 8/ dm/sup 3/ mol/sup -1/ s/sup -1/), as well as for their bimilecular decay (3.0 x 10/sup 8/ dm/sup 3/ mol/sup -1/ s/sup -1/). These results demonstrate high reactivity of fatty acid peroxyl radicals and flavone antioxidants in aqueous solution.

  8. Study of reaction mechanism for 12C(14N, 6Li) by angular correlation measurement

    International Nuclear Information System (INIS)

    Goldberg, V.Z.; Golovkov, M.S.; Rogatchev, G.V.; Barrov, S.P.; Zurmuhle, R.W.; Liu, Z.; Benton, D.R.; Miao, Y.; Lee, C.; Wimer, N.G.; Murgatroyd, J.T.; Li, X.

    1999-01-01

    An angular correlation for the reaction 12 C ( 14 N, 6 Li) 20 Ne* (α) populating the 8.78 MeV (6 + ) level in 20 Ne is measured at 48 MeV incident 14 N energy. 6 Li is registered for 0-degree geometry in coincidence with α particles from the 20 Ne excited state decay. The results shows that 20% was the upper limit for the contribution of compound nucleus formation. Possible main direct mechanisms of the reaction are discussed [ru

  9. Oligopolistic Reaction and Foreign Direct Investment: The Case of the U.S. Tire and Textiles Industries

    OpenAIRE

    Chwo-Ming J Yu; Kiyohiko Ito

    1988-01-01

    This paper empirically tests the impact of oligopolistic reaction and some firm–related and host country–related factors on FDI activities in the U.S. tire and textile industries. The results reveal that in an oligopolistic industry, firms' motivation of FDI is based on the behavior of rivals as well as host country–related and firm–related factors, while in a more competitively structured industry, firms do not actively counter the competitors' FDI activities.© 1988 JIBS. Journal of Internat...

  10. Study of {sup 19}C by breakup reactions; Etude du {sup 19}C par reactions de cassure

    Energy Technology Data Exchange (ETDEWEB)

    Liegard, Emmanuel [Lab. de Physique Corpusculaire, Caen Univ., 14 Caen (France)

    1998-01-07

    To date studies of halo nuclei have been principally focussed on the A 11 systems {sup 11}Li and {sup 11}Be. The evolution of the properties of the halo with the mass of the system and the binding energy and angular momentum of the halo nucleons is a question of fundamental importance. It was in this spirit that the present study of {sup 19}C (S{sub n} = 240 {+-} 100 keV) was undertaken. The experiment was performed at GANIL using a secondary {sup 19}C beam ({approx_equal} 15 pps at 36 MeV/nucleon) produced via fragmentation. The experimental setup which included the neutron array DEMON, provided for identification of the core-breakup and dissociation reaction channels. In the first case, a very narrow single neutron angular distribution (FWHM = 64 {+-} 17 MeV/c) was observed for {sup 19}C, in contrast to that found for three `reference` nuclei {sup 21}N, {sup 22}O and {sup 24}F (FWHM {approx_equal} 165 MeV/c). This result could be interpreted within the framework of the core-breakup reaction model of a one-neutron halo nucleus. The results obtained for dissociation, while supporting the existence of the halo, indicated that it is not well developed. In addition, a comparison between the present results, the parallel momentum distributions for the core ({sup 18}C) and theoretical predictions have allowed conclusions to be drawn regarding the configuration of the valence neutron. In particular, a purely 2s{sub 1/2} of 1d{sub 5/2} configuration is excluded and mixing, possible with core excited states, must be considered. A probable ground state spin-parity assignment of 3{sup +}/2 or 5{sup +}/2 is suggested. (author) 150 refs., 278 figs., 28 tabs.

  11. Degradation of p-Nitrophenol by Lignin and Cellulose Chars: H2O2-Mediated Reaction and Direct Reaction with the Char.

    Science.gov (United States)

    Yang, Jing; Pignatello, Joseph J; Pan, Bo; Xing, Baoshan

    2017-08-15

    Chars and other black carbons are reactive toward certain compounds. Such reactivity has been attributed to reduction of O 2 by persistent free radicals in the solid to H 2 O 2 , which then back-reacts with the solid to generate reactive oxygen species (ROS; especially HO • ). We studied the decomposition of p-nitrophenol (PNP) by pure lignin and cellulose chars aged in moist air or a vacuum at room temperature for up to a month. In air, the chars chemisorbed oxygen, a portion of which was liberated as H 2 O 2 when the char was submerged in water. The evolved H 2 O 2 was simultaneously decomposed by the char. PNP reacted predominantly in the sorbed state and only reduction products (phenol, catechol) were identified. Aging the char in air sharply (within hours) reduced H 2 O 2 -producing capacity and free radical concentration, but more gradually reduced PNP decay rate over the month-long period. PNP decay was only modestly suppressed (12-30%) by H 2 O 2 removal (catalase), and had little effect on the free radical signal (reactive sites. Lignin char was generally more reactive than cellulose char. The Fe impurity in lignin played no role. The results are relevant to the fate of pollutants in black carbon-rich environments and the use of carbons in remediation.

  12. 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.

  13. Interest of uranium complexes for the mechanism study of the McMurry reaction

    International Nuclear Information System (INIS)

    Maury, O.

    1997-01-01

    The reducing coupling reactions of ketones in diols and olefins are generally carried out with titanium or samarium compounds. In this work uranium complexes have been used. They have allowed to study the chemical reaction mechanism. This thesis is divided into three parts: 1) the reduction mechanism of uranium tetrachloride by cyclic voltametry has been studied at first. It has been shown that this reduction is followed by a transfer reaction of chlorides between the reduced specie of the higher electronic density and UCl . 2) In the second part is described: the synthesis, the crystal structure, the reactivity of the chemical agents, the stereochemistry of diols and alkenes formation and the pinacolisation reaction catalysis. 3) In the last part, the limits of the McMurry reaction are given by the study of the aromatic ketones pinacolisation reaction by-products. The obtained results show that the complexes of the metals which present a high reducing and oxo-philic (Ti, Sm, U..) character react in a similar way with the carbonyl compounds. If the uranium compounds are less used than those of the titanium in the field of the organic synthesis applications, they are precious auxiliaries and excellent models for reactions mechanisms study and for the synthesis methods optimization. (O.M.)

  14. Study on the surface reaction of uranium metal in hydrogen atmosphere with XPS

    International Nuclear Information System (INIS)

    Wang Xiaolin; Fu Yibei; Xie Renshou; Zuo Changming; Zhao Chunpei; Chen Hong

    1998-01-01

    The surface reactions of uranium metal in hydrogen atmosphere at 25 degree C and 200 degree C and effects of temperature and carbon monoxide to the hydriding reaction have been studied by X-ray photoelectron spectroscopy (XPS). The reaction between H 2 and uranium metal at 25 degree C leads to the further oxidation of surface layer of metal due to traces of water vapor. At 200 degree C, it may lead to the hydriding reaction of uranium and the hydriding increases with increasing exposure to H 2 in the initial stages. The U4f 7/2 binding energy of UH 3 has been found to be 378.6 eV. Investigation indicates carbon monoxide inhibits both the hydriding reaction and oxidation on the condition of H 2 -CO atmosphere

  15. Dynamic structural change of the self-assembled lanthanum complex induced by lithium triflate for direct catalytic asymmetric aldol-Tishchenko reaction.

    Science.gov (United States)

    Horiuchi, Yoshihiro; Gnanadesikan, Vijay; Ohshima, Takashi; Masu, Hyuma; Katagiri, Kosuke; Sei, Yoshihisa; Yamaguchi, Kentaro; Shibasaki, Masakatsu

    2005-09-05

    The development of a direct catalytic asymmetric aldol-Tishchenko reaction and the nature of its catalyst are described. An aldol-Tishchenko reaction of various propiophenone derivatives with aromatic aldehydes was promoted by [LaLi3(binol)3] (LLB), and reactivity and enantioselectivity were dramatically enhanced by the addition of lithium trifluoromethanesulfonate (LiOTf). First, we observed a dynamic structural change of LLB by the addition of LiOTf using 13C NMR spectroscopy, electronspray ionization mass spectrometry (ESI-MS), and cold-spray ionization mass spectrometry (CSI-MS). X-ray crystallography revealed that the structure of the newly generated self-assembled complex was a binuclear [La2Li4(binaphthoxide)5] complex 6. A reverse structural change of complex 6 to LLB by the addition of one equivalent of Li2(binol) was also confirmed by ESI-MS and experimental results. The drastic concentration effects on the direct catalytic asymmetric aldol-Tishchenko reaction suggested that the addition of LiOTf to LLB generated an active oligomeric catalyst species.

  16. Study of direct photons produced in hadronic interactions

    International Nuclear Information System (INIS)

    Karyotakis, Y.

    1985-05-01

    This thesis studies direct photons produced by π + , π - and proton beams of 200 GeV/c, momentum interacting with a carbon target. QCD predicts that direct photons are produced either by the quark-antiquark annihilation qantiq → gγ, or by gluon scattering gq → qγ. The experiment was performed at CERN and used the NA3 spectrometer. Photons are converted within 10% conversion length, and resulting e + e - are detected by the trigger system which requires a minimum transverse momentum of 2.5 GeV/c. Electrons tracks are detected by the spectrometer, while energy and position of photons are measured by an electromagnetic calorimeter and a shower chamber. Direct photon's signal is obtained only statistically, after correcting the ''single photons'' candidats for the π 0 and eta 0 contribution. This correction is obtained only from a sophisticated Monte Carlo, in which electromagnetic shower simulation is difficult. We have observed a significant direct photon signal and we measured the cross section. The γ/π 0 ratio at psub(t) = 4.5 GeV/c is about 10% and seems to grow as a function of transverse momentum. Systematic errors, which are important, limit the precision on the gluon's structure function measurement [fr

  17. Studying chemical reactions in biological systems with MBN Explorer

    DEFF Research Database (Denmark)

    Sushko, Gennady B.; Solov'yov, Ilia A.; Verkhovtsev, Alexey V.

    2016-01-01

    The concept of molecular mechanics force field has been widely accepted nowadays for studying various processes in biomolecular systems. In this paper, we suggest a modification for the standard CHARMM force field that permits simulations of systems with dynamically changing molecular topologies....... The implementation of the modified force field was carried out in the popular program MBN Explorer, and, to support the development, we provide several illustrative case studies where dynamical topology is necessary. In particular, it is shown that the modified molecular mechanics force field can be applied...

  18. Workshop on the next plan for the study of 'physics of fast neutron reactions and measurements'

    International Nuclear Information System (INIS)

    1985-03-01

    A work shop titled ''Physics of fast neutron reaction and measurements'' was held on 25 December 1984, where discussions were made on the new approach and techniques for neutron measurements. The possibilities of experimental tests with AVF cyclotron was also discussed. The followings are the list of papers presented at the work shop (all papers are written in Japanese except for the abstracts). (1) Monoenergetic neutron beam in Tohoku Cyclotron. (2) Spin-dependent response probed in (p,n) and (n,p) reactions. (3) Measurement of D(n,p) 2n reaction and instrumentation for (n,x) reactions in the 40 - 80 MeV region. (4) Two comments related to the neutron reaction. (5) High energy neutron production facilities in the world and a possibility of neutron induced reaction experiments at RCNP. (6) A neutron counter by detection of recoil protons with solid state detectors and development of neutron source by heavy ions. (7) The measurement of neutrons with the recoil detector. (8) Polarization transfer measurements (Py, Dss, Ds 1 , · · ·) with fast neutron beams. (9) Neutron elastic scattering. (10) Neutron capture gamma reaction and effective charge. (11) Comparison between neutron and charged particle induced reactions. (12) Study of giant resonances by fast neutrons. (Aoki, K.)

  19. Kinetic study of the reaction of uranium with various carbon-containing gases

    International Nuclear Information System (INIS)

    Feron, G.

    1963-09-01

    The kinetic study of the reaction U + CO 2 and U + CO has been performed by a thermogravimetric method on a spherical uranium powder, in temperature ranges respectively from 460 to 690 deg. C and from 570 to 850 deg. C. The reaction with carbon dioxide leads to uranium dioxide. A carbon deposition takes place at the same time. The global reactions is the result of two reactions: U + 2 CO 2 → UO 2 + 2 CO U + CO 2 → UO 2 + C The reaction with carbon monoxide leads to a mixture of dioxide UO 2 , dicarbide UC 2 and free carbon. The main reaction can be written. U + CO → 1/2 UO 2 + 1/2 UC 2 The free carbon results of the disproportionation of the carbon monoxide. A remarkable separation of the two phases UO 2 and UC 2 can be observed. A mechanism accounting for the phenomenon has been proposed. The two reactions U + CO 2 and U + CO begin with a long germination period, after which, the reaction velocity seems to be limited in both cases by the ionic diffusion of oxygen through the uranium dioxide. (author) [fr

  20. Optimization and kinetic studies of sea mango (Cerbera odollam) oil for biodiesel production via supercritical reaction

    International Nuclear Information System (INIS)

    Ang, Gaik Tin; Ooi, San Nee; Tan, Kok Tat; Lee, Keat Teong; Mohamed, Abdul Rahman

    2015-01-01

    Highlights: • Sea mango oil as feedstock for biodiesel via non-catalytic supercritical reaction. • Extracted sea mango oil with high FFA could produce high yield of FAME. • Employment of Response Surface Methodology for optimization of FAME. • Kinetic study for reversible transesterification and esterification reactions. - Abstract: Sea mango (Cerbera odollam) oil, which is rich in free fatty acids, was utilized to produce fatty acid methyl esters (FAME) via supercritical transesterification reaction. Sea mango oil was extracted from seeds and was subsequently reacted with methanol in a batch-type supercritical reactor. Response surface methodology (RSM) analysis was used to optimize important parameters, including reaction temperature, reaction time and the molar ratio of methanol to oil. The optimum conditions were found as 380 °C, 40 min and 45:1 mol/mol, respectively, to achieve 78% biodiesel content. The first kinetic modelling of FAME production from sea mango oil incorporating reversible transesterification and reversible esterification was verified simultaneously. The kinetic parameters, including reaction rate constants, k, the pre-exponential constant, A, and the activation energy, Ea, for transesterification and esterification were determined using an ordinary differential equation (ODE45) solver. The highest activation energy of 40 kJ/mol and the lowest reaction rate constant of 2.50 × 10 −5 dm 3 /mol s verified that the first stepwise reaction of TG to produce DG was the rate-limiting step

  1. Density functional theory study on water-gas-shift reaction over molybdenum disulfide

    DEFF Research Database (Denmark)

    Shi, X. R.; Wang, Shengguang; Hu, J.

    2009-01-01

    . The pathway for water-gas-shift reaction on both terminations has been carefully studied where the most favorable reaction path precedes the redox mechanism, namely the reaction takes place as follows: CO + H2O --> CO + OH + H --> CO + O + 2H --> CO2 + H-2. The most likely reaction candidates for the formate......Density functional theory calculations have been carried out to investigate the adsorption of reaction intermediates appearing during water-gas-shift reaction at the sulfur covered MoS2 (1 0 0)surfaces, Mo-termination with 37.5% S coverage and S-termination with 50% S coverage using periodic slabs...... species HCOO formation is the surface CO2 reaction with H as a side reaction of CO2 desorption on S-termination with 50% S coverage. The formed HCOO species will react further with adsorbed hydrogen yielding H2COO followed by breaking its C-O bond to form the surface CH2O and O species....

  2. Time-resolved FTIR emission studies of laser photofragmentation and radical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Leone, S.R. [Univ. of Colorado, Boulder (United States)

    1993-12-01

    Recent studies have focused specifically on collision processes, such as single collision energy transfer, reaction dynamics, and radical reactions. The authors employ novel FTIR techniques in the study of single collision energy transfer processes using translationally fast H atom, as well as radical-radical reactions, e.g. CH{sub 3} + O, CF{sub 3} + H(D), and Cl + C{sub 2}H{sub 5}. The fast atoms permit unique high energy regions of certain transition states of combustion species to be probed for the first time.

  3. Nuclear reactions and radionuclides in the study of fullerenes

    International Nuclear Information System (INIS)

    Nakahara, H.; Sueki, K.; Sato, W.; Akiyama, K.

    2000-01-01

    Radiochemical techniques have been applied in various ways to the study of fullerenes and metallofullerenes for the past several years, and they have provided invaluable information pertaining to the stability, structures, and formation of the novel carbon material. This paper reviews those experimental results that have fully shown the usefullness and uniqueness of radionuclides demonstrated in the field of fullerene science. (author)

  4. A Kinetic Study of the Diels-Alder Reaction. An Experiment Illustrating Simple Second-Order Reaction Kinetics.

    Science.gov (United States)

    Silvestri, Michael G.; Dills, Charles E.

    1989-01-01

    Describes an organic chemistry experiment for teaching the basic concepts of chemical kinetics. Provides background information about first- and second-order reactions, experimental procedures of the Diels-Alder reaction between cyclopentadiene and dimethyl fumarate, and the experimental results. (YP)

  5. Conjugation-promoted reaction of open-cage fullerene: A density functional theory study

    KAUST Repository

    Guo, Yong; Yan, Jingjing; Khashab, Niveen M.

    2012-01-01

    Density functional theory calculations are performed to study the addition mechanism of e-rich moieties such as triethyl phosphite to a carbonyl group on the rim of a fullerene orifice. Three possible reaction channels have been investigated

  6. Non-ionic iodinated contrast media related immediate reactions: A mechanism study of 27 patients.

    Science.gov (United States)

    Zhai, Liqin; Guo, Xiangjie; Zhang, Haoyue; Jin, Qianqian; Zeng, Qiang; Tang, Xiaoxian; Gao, Cairong

    2017-01-01

    The underlying mechanism of non-ionic iodinated contrast media-related immediate reactions was evaluated in this study. Patients presenting at least grade II immediate reactions after non-ionic iodinated contrast media injection were enrolled. Basophil activation was evaluated by flow cytometry. The plasma concentration of human terminal complement complex SC5b-9, as well as concentrations of serum chymase, tryptase, human mast cell carboxypeptidase A3, human prostaglandin D2, and total IgE were measured by enzyme-linked immunosorbent assay. The basophil activation percentage was significantly higher in the study group than in the control group (17.94±21.06% vs 3.45±1.49%). The plasma concentration of human terminal complement complex SC5b-9 and concentrations of serum chymase, human mast cell carboxypeptidase A3, prostaglandin D2, tryptase, and total IgE were also significantly increased (236.99±318.21 vs 49.70±30.41ng/mL, 0.41±0.49 vs 0.09±0.06ng/mL, 1.17±0.67 vs 0.30±0.17ng/mL, 203.52±137.27 vs 102.28±48.72pg/mL, 3.81±0.22 vs 2.70±0.16ng/mL, 102.00±51.84 vs 19.97±2.75ng/mL, respectively). Both mast cells and basophils were activated in non-ionic iodinated contrast media to mediate immediate hypersensitivity, and mast cells may be involved. Different mechanisms, including IgE-dependent, complement-dependent, and direct membrane effects, contributed to mast cell and basophil activation. Individual patients may use a single or combined mechanism involving single or combined mast cells and basophils. Immediate reactions following non-ionic iodinated contrast media injection may be a mechanically heterogenous disease. Copyright © 2016. Published by Elsevier B.V.

  7. Anti-snake venom: use and adverse reaction in a snake bite study clinic in Bangladesh

    Directory of Open Access Journals (Sweden)

    MR Amin

    2008-01-01

    Full Text Available Snakebites can present local or systemic envenomation, while neurotoxicity and respiratory paralysis are the main cause of death. The mainstay of management is anti-snake venom (ASV, which is highly effective, but liable to cause severe adverse reactions including anaphylaxis. The types of adverse reaction to polyvalent anti-snake venom have not been previously studied in Bangladesh. In this prospective observational study carried out between 1999 and 2001, in the Snake Bite Study Clinic of Chittagong Medical College Hospital, 35 neurotoxic-snake-bite patients who had received polyvalent anti-snake venom were included while the ones sensitized to different antitoxins and suffering from atopy were excluded. The common neurotoxic features were ptosis (100%, external ophthalmoplegia (94.2%, dysphagia (77.1%, dysphonia (68.5% and broken neck sign (80%. The percentage of anti-snake venom reaction cases was 88.57%; pyrogenic reaction was 80.64%; and anaphylaxis was 64.51%. The common features of anaphylaxis were urticaria (80%; vomiting and wheezing (40%; and angioedema (10%. The anti-snake venom reaction was treated mainly with adrenaline for anaphylaxis and paracetamol suppository in pyrogenic reactions. The average recovery time was 4.5 hours. Due to the danger of reactions the anti-snake venom should not be withheld from a snakebite victim when indicated and appropriate guidelines should be followed for its administration.

  8. Recent progress in the study of fission reaction

    International Nuclear Information System (INIS)

    Blons, J.; Paya, D.; Signarbieux, C.

    1977-01-01

    The different steps of the fission phenomenon are briefly recalled before a more detailed study of the static aspect of the fission barrier crossing. The experiments performed at Saclay during the last few years seem to confirm the calculations according to which a triple humped fission barrier is expected for the thorium isotopes. The last part deals with some dynamical aspects of the process. Recent results are presented which tend to prove that the nuclear viscosity decreases when the excitation energy increases [fr

  9. Direct Synthesis of 5-Aryl Barbituric Acids by Rhodium(II)-Catalyzed Reactions of Arenes with Diazo Compounds**

    Science.gov (United States)

    Best, Daniel; Burns, David J; Lam, Hon Wai

    2015-01-01

    A commercially available rhodium(II) complex catalyzes the direct arylation of 5-diazobarbituric acids with arenes, allowing straightforward access to 5-aryl barbituric acids. Free N—H groups are tolerated on the barbituric acid, with no complications arising from N—H insertion processes. This method was applied to the concise synthesis of a potent matrix metalloproteinase (MMP) inhibitor. PMID:25959544

  10. Direct RNA detection without nucleic acid purification and PCR: Combining sandwich hybridization with signal amplification based on branched hybridization chain reaction.

    Science.gov (United States)

    Xu, Yao; Zheng, Zhi

    2016-05-15

    We have developed a convenient, robust and low-cost RNA detection system suitable for high-throughput applications. This system uses a highly specific sandwich hybridization to capture target RNA directly onto solid support, followed by on-site signal amplification via 2-dimensional, branched hybridizing chain polymerization through toehold-mediated strand displacement reaction. The assay uses SYBR Green to detect targets at concentrations as low as 1 pM, without involving nucleic acid purification or any enzymatic reaction, using ordinary oligonucleotides without modification or labeling. The system was demonstrated in the detection of malaria RNA in blood and GAPDH gene expression in cell lysate. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. A facility for low energy charged particle induced reaction studies

    International Nuclear Information System (INIS)

    Vilaithong, T.; Singkarat, S.; Yu, L.D.; Intarasiri, S.; Tippawan, U.

    2000-01-01

    In Chiang Mai, a highly stable low energy ion accelerator (0 - 350 kV) facility is being established. A subnano-second pulsing system will be incorporated into the beam transport line. The detecting system will consist of a time-of-flight charged particle spectrometer and a high resolution gamma-ray system. The new facility will be used in the studies of low energy heavy ion backscattering and charged particle induced cross section measurement in the interests of material characterization and nucleosynthesis. (author)

  12. Studies on the dryolysis reactions of metal ions

    International Nuclear Information System (INIS)

    Baes, C.F. Jr.

    1977-01-01

    Research is reported on metallic ions produced in solutions at low concentrations as mononuclear hydrolysis products. The method for studying the mononuclear species is to measure the solubility of the oxide or hydroxide solid phase that is stable under the conditions of interest. Column solubility measurements of Al(OH) 3 (Gibbsite) in NaCl solution as a function of pH, temperature, and ionic strength are being conducted in order to better establish the stability of the intermediate species Al(OH) 2 + and Al(OH) 3 (aq)

  13. WGS-Adsorbent Reaction Studies at Laboratory Scale

    International Nuclear Information System (INIS)

    Marano, M.; Torreiro, Y.

    2014-01-01

    This document reports the most significant results obtained during the experimental work performed under task WGS adsorbent experimental studies within CAPHIGAS project (National Research Plan 2008-2011, ref: ENE2009-08002). The behavior of the binary adsorbent-catalyst system which will be used in the hybrid system is described in this document. Main results reported here were used during the design and development of the hybrid system adsorbent catalyst- membrane proposed in the CAPHIGAS project. The influence of main operating parameters and the optimized volume ratio adsorbent-catalyst are also presented in this report. (Author)

  14. Direct synthesis of acid-base bifunctionalized hexagonal mesoporous silica and its catalytic activity in cascade reactions.

    Science.gov (United States)

    Shang, Fanpeng; Sun, Jianrui; Wu, Shujie; Liu, Heng; Guan, Jingqi; Kan, Qiubin

    2011-03-01

    A series of efficient acid-base bifunctionalized hexagonal mesoporous silica (HMS) catalysts contained aminopropyl and propanesulfonic acid have been synthesized through a simple co-condensation by protection of amino group. The results of small-angle XRD, TEM, and N(2) adsorption-desorption measurements show that the resultant materials have mesoscopic structures. X-ray photoelectron spectroscopies, elemental analysis (EA), back titration, (29)Si NMR and (13)C NMR confirm that the organosiloxanes were condensed as a part of the silica framework. The resultant catalysts exhibit excellent acid-basic properties, which make them possess high activity for one-pot deacetalization-Knoevenagel and deacetalization-nitroaldol (Henry) reactions. Copyright © 2010 Elsevier Inc. All rights reserved.

  15. Polarization phenomena in heavy-ion reactions

    International Nuclear Information System (INIS)

    Sugimoto, K.; Ishihara, M.; Takahashi, N.

    1984-01-01

    This chapter presents a few key experiments which provide direct evidence of the polarization phenomena in heavy-ion reactions. The theory of polarization observables and measurements is given with the necessary formulae. The polarization phenomena is described and studies of product nuclear polarization in heavy-ion reactions are discussed. Studies of heavy-ion reactions induced by polarized beams are examined

  16. Experimental study of sodium fires on concrete based on the sodium-concrete reaction and its consequences: study of the behavior of various concretes under metallic sheaths

    International Nuclear Information System (INIS)

    Berlin; Colome, J.; Malet, J.C.

    The problem created by the violent reaction between hot sodium and concrete has only recently been recognized. Its importance was evidenced during experiments in which the sodium-barium oxide concrete reactions led to violent explosions. SESR approached this question during its experimental programs Cassandre and Lucifer. The Cassandre 01 experiment demonstrated the sodium-ordinary concrete reaction, where sodium was burned directly in a concrete vat. The consequences of this fire, pulverization of sodium particles, explosions and deterioration of the concrete led to consideration of protecting the concrete. Among possible shieldings sheath metal appeared to be the safest solution. The Cassandre 08, Lucifer 01 and Lucifer 04 experiments were used to study the behavior of various qualities of concrete protected from fire by a metal wall. The results show that a metal cladding efficiently protects concrete from sodium leaks

  17. Study of photon strength functions via (γ→, γ', γ″) reactions at the γ3-setup

    Science.gov (United States)

    Isaak, Johann; Savran, Deniz; Beck, Tobias; Gayer, Udo; Krishichayan; Löher, Bastian; Pietralla, Norbert; Scheck, Marcus; Tornow, Werner; Werner, Volker; Zilges, Andreas

    2018-05-01

    One of the basic ingredients for the modelling of the nucleosynthesis of heavy elements are so-called photon strength functions and the assumption of the Brink-Axel hypothesis. This hypothesis has been studied for many years by numerous experiments using different and complementary reactions. The present manuscript aims to introduce a model-independent approach to study photon strength functions via γ-γ coincidence spectroscopy of photoexcited states in 128Te. The experimental results provide evidence that the photon strength function extracted from photoabsorption cross sections is not in an overall agreement with the one determined from direct transitions to low-lying excited states.

  18. A study of reactions of sulfur dioxide in the gaseous phase. Production and evolution of aerosols resulting from these reactions

    International Nuclear Information System (INIS)

    Boulaud, Denis

    1977-01-01

    The reactions of sulfur dioxide in the gaseous phase with atmospheric pollutants (NO x ; hydrocarbons) were studied. Experiments showed that NO 2 contribution was significant and suggested that SO 2 transformation into sulfuric acid and sulfates might occur through oxidising agents mainly hydroxyl (OH) and hydro-peroxyl (HO 2 ) radicals. The production and evolution of the resulting aerosols was also studied. It was demonstrated that the effect of water vapour on particle production was significant and that primary embryos were formed from the hetero-molecular homogeneous nucleation acting on water vapour and very likely on sulfuric acid. There was a semi-quantitative agreement between our experimental results and some theoretical investigations on nucleation rate of the system (H 2 O - H 2 SO 4 ). The subsequent growth of particles was studied in a simulation chamber. Finally a model of sulfuric acid vapour evolution in presence of atmospheric aerosols made it possible to extend the previous results as far as possible to the case of atmosphere and then to compare the importance of homogeneous and heterogeneous nucleation of the vapours according to atmospheric conditions. (author) [fr

  19. Reaction mechanism studies of unsaturated molecules using photofragment translational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Longfellow, C.A. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Chemical Sciences Div.

    1996-05-01

    A number of molecules have been studied using the technique of photofragment translational spectroscopy. In Chapter One a brief introduction to the experimental technique is given. In Chapter Two the infrared multiphoton dissociation (IRMPD) of acetic acid is discussed. Carbon dioxide and methane were observed for the first time as products from dissociation under collisionless conditions. Chapter Three relates an IRMPD experiment of hexafluoropropene. The predominant channel produces CFCF{sub 3} or C{sub 2}F{sub 4} and CF{sub 2}, with the heavier species undergoing further dissociation to two CF{sub 2} fragments. In Chapter Four the ultraviolet (UV) dissociation of hexafluoropropene is investigated. Chapter Five explores the IRMPD of octafluoro-1-butene and octafluoro-2-butene.

  20. [The reaction to viewing slides on tropical medicine. Evaluation study].

    Science.gov (United States)

    Gateff, C; Merouze, F; Gaud, R; Bourrel, P

    1985-01-01

    A series of slides on health priorities in Africa was shown to an audience of 123 people, of which 19 were not medical specialists. The authors of this experiment wanted to verify that the objectives set by the producers were met. The study, conducted in the form of a questionnaire, asked the people questioned to give their opinion on the objectives, the kind of public aimed at, the standard of the various subjects covered and the usefulness and cost-efficiency ratio of the type of audio-visual equipment used. Although the analysis of collected data reveals certain discrepancies as to the professional status of those questioned, the vast majority of participants considered this documentary support to be extremely worthwhile.