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Sample records for 58ni14n alpha6he reaction

  1. Piezonuclear Reactions

    CERN Document Server

    Cardone, Fabio; Petrucci, Andrea

    2010-01-01

    In this paper, we deal with the subject of piezonuclear reactions, namely nuclear reactions (of new type) triggered by pressure waves. We discuss the experimental evidences obtained in the last two decades, which can be summarized essentially as follows: experiments in cavitation of liquids, where transmutation of elements, creation of elements and emission of neutrons have been observed; emission of neutrons in brittle failure of solids subjected to mechanical pressure; alteration of the lifetime of un unstable element (thorium) subjected to cavitation. A theoretical model to explain these facts is proposed. Future perspectives of these experimental and theoretical investigations are also underlined.

  2. Chain reaction

    International Nuclear Information System (INIS)

    Chain Reaction is a work of recent American political history. It seeks to explain how and why America came to depend so heavily on its experts after World War II, how those experts translated that authority into political clout, and why that authority and political discretion declined in the 1970s. The author's research into the internal memoranda of the Atomic Energy Commission substantiates his argument in historical detail. It was not the ravages of American anti-intellectualism, as so many scholars have argued, that brought the experts back down to earth. Rather, their decline can be traced to the very roots of their success after World War II. The need to over-state anticipated results in order to garner public support, incessant professional and bureaucratic specialization, and the sheer proliferation of expertise pushed arcane and insulated debates between experts into public forums at the same time that a broad cross section of political participants found it easier to gain access to their own expertise. These tendencies ultimately undermined the political influence of all experts. (author)

  3. Catalysis of Photochemical Reactions.

    Science.gov (United States)

    Albini, A.

    1986-01-01

    Offers a classification system of catalytic effects in photochemical reactions, contrasting characteristic properties of photochemical and thermal reactions. Discusses catalysis and sensitization, examples of catalyzed reactions of excepted states, complexing ground state substrates, and catalysis of primary photoproducts. (JM)

  4. On thermonuclear reaction rates

    OpenAIRE

    Hans J. Haubold; Mathai, Arak Mathai

    1996-01-01

    Nuclear reactions govern major aspects of the chemical evolution of galaxies and stars. Analytic study of the reaction rates and reaction probability integrals is attempted here. Exact expressions for the reaction rates and reaction probability integrals for nuclear reactions in the cases of nonresonant, modified nonresonant, screened nonresonant and resonant cases are given. These are expressed in terms of H-functions, G-functions and in computable series forms. Computational aspects are als...

  5. Practice Gaps: Drug Reactions.

    Science.gov (United States)

    Wolverton, Stephen E

    2016-07-01

    The term "drug reactions" is relevant to dermatology in three categories of reactions: cutaneous drug reactions without systemic features, cutaneous drug reactions with systemic features, and systemic drugs prescribed by the dermatologist with systematic adverse effects. This article uses examples from each of these categories to illustrate several important principles central to drug reaction diagnosis and management. The information presented will help clinicians attain the highest possible level of certainty before making clinical decisions. PMID:27363888

  6. Microfluidic chemical reaction circuits

    Science.gov (United States)

    Lee, Chung-cheng; Sui, Guodong; Elizarov, Arkadij; Kolb, Hartmuth C.; Huang, Jiang; Heath, James R.; Phelps, Michael E.; Quake, Stephen R.; Tseng, Hsian-rong; Wyatt, Paul; Daridon, Antoine

    2012-06-26

    New microfluidic devices, useful for carrying out chemical reactions, are provided. The devices are adapted for on-chip solvent exchange, chemical processes requiring multiple chemical reactions, and rapid concentration of reagents.

  7. Common Reactions After Trauma

    Science.gov (United States)

    ... here Enter ZIP code here Common Reactions After Trauma Public This section is for Veterans, General Public, Family, & Friends Common Reactions After Trauma Available in Spanish: Reacciones Comunes Después de un ...

  8. Anaphylaxis-Like Reactions

    Science.gov (United States)

    ... be "primed" by previous exposure to cause anaphylaxis, anaphylactoid reactions can occur with no previous exposure at all. ... an X-ray. Although the mechanism of an anaphylactoid reaction is different, the treatment is the same as ...

  9. Microscale Thermite Reactions.

    Science.gov (United States)

    Arnaiz, Francisco J.; Aguado, Rafael; Arnaiz, Susana

    1998-01-01

    Describes the adaptation of thermite (aluminum with metal oxides) reactions from whole-class demonstrations to student-run micro-reactions. Lists detailed directions and possible variations of the experiment. (WRM)

  10. Preequilibrium Nuclear Reactions

    International Nuclear Information System (INIS)

    After a survey on existing experimental data on precompound reactions and a description of preequilibrium reactions, theoretical models and quantum mechanical theories of preequilibrium emission are presented. The 25 papers of this meeting are analyzed separately

  11. Double Pion Production Reactions

    CERN Document Server

    Oset, E; Cano, F; Hernández, E; Kamalov, S S; Nacher, J C; Tejedor, J A G

    1999-01-01

    We report on reactions producing two pions induced by real and virtual photons or nucleons. The role of different resonances in these reactions is emphasized. Novel results on coherent two pion photoproduction in nuclei are also reported.

  12. Chemical transport reactions

    CERN Document Server

    Schäfer, Harald

    2013-01-01

    Chemical Transport Reactions focuses on the processes and reactions involved in the transport of solid or liquid substances to form vapor phase reaction products. The publication first offers information on experimental and theoretical principles and the transport of solid substances and its special applications. Discussions focus on calculation of the transport effect of heterogeneous equilibria for a gas motion between equilibrium spaces; transport effect and the thermodynamic quantities of the transport reaction; separation and purification of substances by means of material transport; and

  13. Anaphylactoid reactions to paracetamol

    OpenAIRE

    Ayonrinde, O.; Saker, B.

    2000-01-01

    The toxic effects of paracetamol in overdose quantities are well recognised but the occurrence of anaphylactoid reactions to paracetamol is infrequently identified by consumers and health care professionals. Nevertheless adverse reactions to this drug, even in therapeutic doses, can have fatal or near fatal consequences. A case of an anaphylactoid reaction to paracetamol is described.


Keywords: paracetamol; anaphylaxis; allergy; hypersensitivity

  14. Non-adiabatic dynamics in 10Be with the microscopic alpha+alpha+n+n model

    CERN Document Server

    Ito, M

    2006-01-01

    The alpha+6He low-energy reactions and the structural changes of 10Be in the microscopic alpha+alpha+n+n model are studied by the generalized two-center cluster model with the Kohn-Hulthen-Kato variation method. It is found that, in the inelastic scattering to the alpha+6He(2+) channel, characteristic enhancements are expected as the results of the parity-dependent non-adiabatic dynamics. In the positive parity state, the enhancement originates from the no-adiabatic eigenstate generated by the radial excitation of the relative motion between two alpha-cores. On the other hand, the enhancement in the negative parity state is induced by the Landau-Zener level-crossing. These non-adiabatic processes are discussed in connection to the formation of the inversion doublet in the compound system of 10Be.

  15. Cosmetic tattoo pigment reaction

    OpenAIRE

    Greywal, Tanya; Cohen, Philip R

    2016-01-01

    BackgroundCutaneous reactions to tattoos are most commonly granulomatous or lichenoid. PurposeWe describe a woman who developed a lymphocytic reaction following a cosmetic tattoo procedure with black dye. The reaction occurred not only at the site of the tattoos (eyebrows and eyelash lines), but also in non-tattooed skin (bilateral malar cheeks). Methods and MaterialsWe reviewed PubMed for the following terms: cosmetic, dye, granuloma, granulomatous, lichenoid, lymphocytic, ...

  16. Anaphylactic reactions to cinoxacin.

    OpenAIRE

    Stricker, B H; Slagboom, G.; Demaeseneer, R.; Slootmaekers, V.; Thijs, I.; Olsson, S

    1988-01-01

    During 1981 to mid-1988 three cases of anaphylactic shock after treatment with the quinolone derivative cinoxacin were reviewed by the Netherlands Centre for Monitoring of Adverse Reactions to Drugs and 17 cases of an anaphylactic type of reaction notified to the World Health Organisation Collaborating Centre for International Drug Monitoring. In five out of six patients for whom data were available the reaction began shortly after taking a single capsule of a second or next course of treatme...

  17. Reaction kinetics of polybutylene terephthalate polycondensation reaction

    NARCIS (Netherlands)

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

    2005-01-01

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

  18. Reactions at Solid Surfaces

    CERN Document Server

    Ertl, Gerhard

    2009-01-01

    Expanding on the ideas first presented in Gerhard Ertl's acclaimed Baker Lectures at Cornell University, Reactions at Solid Surfaces comprises an authoritative, self-contained, book-length introduction to surface reactions for both professional chemists and students alike. Outlining our present understanding of the fundamental processes underlying reactions at solid surfaces, the book provides the reader with a complete view of how chemistry works at surfaces, and how to understand and probe the dynamics of surface reactions. Comparing traditional surface probes with more modern ones, and brin

  19. Desosamine in multicomponent reactions

    NARCIS (Netherlands)

    Achatz, Sepp; Dömling, Alexander

    2006-01-01

    Desosamine occurring ubiquitously in natural products is introduced into isocyanide based multicomponent reaction chemistry. Corresponding products are of potential interest for the design of novel antibiotics. © 2006.

  20. Hydrogen evolution reaction catalyst

    Science.gov (United States)

    Subbaraman, Ram; Stamenkovic, Vojislav; Markovic, Nenad; Tripkovic, Dusan

    2016-02-09

    Systems and methods for a hydrogen evolution reaction catalyst are provided. Electrode material includes a plurality of clusters. The electrode exhibits bifunctionality with respect to the hydrogen evolution reaction. The electrode with clusters exhibits improved performance with respect to the intrinsic material of the electrode absent the clusters.

  1. Degradations and Rearrangement Reactions

    Science.gov (United States)

    Zhang, Jianbo

    This section deals with recent reports concerning degradation and rearrangement reactions of free sugars as well as some glycosides. The transformations are classified in chemical and enzymatic ways. In addition, the Maillard reaction will be discussed as an example of degradation and rearrangement transformation and its application in current research in the fields of chemistry and biology.

  2. Chemical reaction and separation method

    NARCIS (Netherlands)

    Jansen, J.C.; Kapteijn, F.; Strous, S.A.

    2005-01-01

    The invention is directed to process for performing a chemical reaction in a reaction mixture, which reaction produces water as by-product, wherein the reaction mixture is in contact with a hydroxy sodalite membrane, through which water produced during the reaction is removed from the reaction mixtu

  3. Biochemical reaction engineering for redox reactions.

    Science.gov (United States)

    Wandrey, Christian

    2004-01-01

    Redox reactions are still a challenge for biochemical engineers. A personal view for the development of this field is given. Cofactor regeneration was an obstacle for quite some time. The first technical breakthrough was achieved with the system formate/formate dehydrogenase for the regeneration of NADH2. In cases where the same enzyme could be used for chiral reduction as well as for cofactor regeneration, isopropanol as a hydrogen source proved to be beneficial. The coproduct (acetone) can be removed by pervaporation. Whole-cell reductions (often yeast reductions) can also be used. By proper biochemical reaction engineering, it is possible to apply these systems in a continuous way. By cloning a formate dehydrogenase and an oxidoreductase "designer bug" can be obtained where formate is used instead of glucose as the hydrogen source. Complex sequences of redox reactions can be established by pathway engineering with a focus on gene overexpression or with a focus on establishing non-natural pathways. The success of pathway engineering can be controlled by measuring cytosolic metabolite concentrations. The optimal exploitation of such systems calls for the integrated cooperation of classical and molecular biochemical engineering.

  4. Hypersensitivity reactions to corticosteroids.

    Science.gov (United States)

    Vatti, Rani R; Ali, Fatima; Teuber, Suzanne; Chang, Christopher; Gershwin, M Eric

    2014-08-01

    Hypersensitivity reactions to corticosteroids (CS) are rare in the general population, but they are not uncommon in high-risk groups such as patients who receive repeated doses of CS. Hypersensitivity reactions to steroids are broadly divided into two categories: immediate reactions, typically occurring within 1 h of drug administration, and non-immediate reactions, which manifest more than an hour after drug administration. The latter group is more common. We reviewed the literature using the search terms "hypersensitivity to steroids, adverse effects of steroids, steroid allergy, allergic contact dermatitis, corticosteroid side effects, and type I hypersensitivity" to identify studies or clinical reports of steroid hypersensitivity. We discuss the prevalence, mechanism, presentation, evaluation, and therapeutic options in corticosteroid hypersensitivity reactions. There is a paucity of literature on corticosteroid allergy, with most reports being case reports. Most reports involve non-systemic application of corticosteroids. Steroid hypersensitivity has been associated with type I IgE-mediated allergy including anaphylaxis. The overall prevalence of type I steroid hypersensitivity is estimated to be 0.3-0.5%. Allergic contact dermatitis (ACD) is the most commonly reported non-immediate hypersensitivity reaction and usually follows topical CS application. Atopic dermatitis and stasis dermatitis of the lower extremities are risk factors for the development of ACD from topical CS. Patients can also develop hypersensitivity reactions to nasal, inhaled, oral, and parenteral CS. A close and detailed evaluation is required for the clinician to confirm the presence of a true hypersensitivity reaction to the suspected drug and choose the safest alternative. Choosing an alternative CS is not only paramount to the patient's safety but also ameliorates the worry of developing an allergic, and potentially fatal, steroid hypersensitivity reaction. This evaluation becomes

  5. Electron transfer reactions

    CERN Document Server

    Cannon, R D

    2013-01-01

    Electron Transfer Reactions deals with the mechanisms of electron transfer reactions between metal ions in solution, as well as the electron exchange between atoms or molecules in either the gaseous or solid state. The book is divided into three parts. Part 1 covers the electron transfer between atoms and molecules in the gas state. Part 2 tackles the reaction paths of oxidation states and binuclear intermediates, as well as the mechanisms of electron transfer. Part 3 discusses the theories and models of the electron transfer process; theories and experiments involving bridged electron transfe

  6. The Reaction Wheel Pendulum

    CERN Document Server

    Block, Daniel J; Spong, Mark W

    2007-01-01

    This monograph describes the Reaction Wheel Pendulum, the newest inverted-pendulum-like device for control education and research. We discuss the history and background of the reaction wheel pendulum and other similar experimental devices. We develop mathematical models of the reaction wheel pendulum in depth, including linear and nonlinear models, and models of the sensors and actuators that are used for feedback control. We treat various aspects of the control problem, from linear control of themotor, to stabilization of the pendulum about an equilibrium configuration using linear control, t

  7. Nucleon induced reactions

    International Nuclear Information System (INIS)

    The collection contains full texts of 37 contributions; all fall within the INIS Subject Scope. The topics treated include some unsolved problems of nuclear reactions and relevant problems of nuclear structure at low and intermediate energies. (Z.S.)

  8. Reaction Qualifications Revisited

    DEFF Research Database (Denmark)

    Lippert-Rasmussen, Kasper

    2009-01-01

      When, in a competitive sphere, people are selected on the basis of qualifications only, their chances of acquiring positions of advantage may seem to depend entirely upon their abilities, not discriminatory bias. However, if reaction qualifications - i.e. characteristics which contribute...... to a person's effectiveness by causing a favourable reaction in customers, co-workers etc. (for short: recipients) - are involved, this assumption is false. Building on work by Wertheimer, Mason, and Miller, this paper proposes an account of the reaction qualifications that count, from the point of view...... preferences, recipients should not respond to the applicant actually hired on the basis of their (the recipients') racial preferences. My account decomposes the meritocratic ideal into four separate norms, one of which applies to recipients rather than to selectors. Finally, it defends the view that reaction...

  9. Autocatalysis in reaction networks.

    Science.gov (United States)

    Deshpande, Abhishek; Gopalkrishnan, Manoj

    2014-10-01

    The persistence conjecture is a long-standing open problem in chemical reaction network theory. It concerns the behavior of solutions to coupled ODE systems that arise from applying mass-action kinetics to a network of chemical reactions. The idea is that if all reactions are reversible in a weak sense, then no species can go extinct. A notion that has been found useful in thinking about persistence is that of "critical siphon." We explore the combinatorics of critical siphons, with a view toward the persistence conjecture. We introduce the notions of "drainable" and "self-replicable" (or autocatalytic) siphons. We show that: Every minimal critical siphon is either drainable or self-replicable; reaction networks without drainable siphons are persistent; and nonautocatalytic weakly reversible networks are persistent. Our results clarify that the difficulties in proving the persistence conjecture are essentially due to competition between drainable and self-replicable siphons.

  10. Chemisorption And Precipitation Reactions

    Science.gov (United States)

    The transport and bioavailability of chemical components within soils is, in part, controlled by partitioning between solids and solution. General terms used to describe these partitioning reactions include chemisorption and precipitation. Chemisorption is inclusive of the suit...

  11. Ofloxacin induced hypersensitivity reaction

    Directory of Open Access Journals (Sweden)

    Hari Babu Ramineni

    2015-01-01

    Full Text Available Ofloxacin is a commonly used antimicrobial agent to combat various infections. The adverse profile of quinolones includes gastrointestinal symptoms, which are the most frequent, neuropsychiatric symptoms, hematologic abnormalities are less common. We report a rare case of ofloxacin induced hypersensitivity reaction in a 57 year old female patient with complaints of rashes over the axilla, upper limb and back, abdomen, thorax associated with exfoliation of skin all over the axilla associated with severe itching. Based on history and clinical examination patient was diagnosed as ofloxacin induced hypersensitivity reaction and was successfully treated with antihistamines and corticosteroids. Pharmacovigilance should be a part of patient care in order to reduce occurrence of adverse drug reaction and also encourage practitioners in reporting so as to gather more and more data regarding adverse drug reactions. [Int J Res Med Sci 2015; 3(1.000: 349-351

  12. Allergic reactions in anaesthesia

    DEFF Research Database (Denmark)

    Krøigaard, M; Garvey, L H; Menné, T;

    2005-01-01

    BACKGROUND: The aim of this retrospective survey of possible allergic reactions during anaesthesia was to investigate whether the cause suspected by anaesthetists involved corresponded with the cause found on subsequent investigation in the Danish Anaesthesia Allergy Centre (DAAC). METHODS: Case...... notes and anaesthetic charts from 111 reactions in 107 patients investigated in the DAAC were scrutinized for either suspicions of or warnings against specific substances stated to be the cause of the supposed allergic reaction. RESULTS: In 67 cases, one or more substances were suspected. In 49...... match, the right substance being suspected, but investigations showed an additional allergen or several substances, including the right substance being suspected. CONCLUSIONS: An informed guess is not a reliable way of determining the cause of a supposed allergic reaction during anaesthesia and may put...

  13. Adverse reactions to cosmetics

    OpenAIRE

    Dogra A; Minocha Y; Kaur S

    2003-01-01

    Adverse reaction to cosmetics constitute a small but significant number of cases of contact dermatitis with varied appearances. These can present as contact allergic dermatitis, photodermatitis, contact irritant dermatitis, contact urticaria, hypopigmentation, hyperpigmentotion or depigmentation, hair and nail breakage. Fifty patients were included for the study to assess the role of commonly used cosmetics in causing adverse reactions. It was found that hair dyes, lipsticks and surprisingly ...

  14. EXERCISE AND REACTION TIMES

    OpenAIRE

    Varun; Neeraj; Ushadhar; Yogesh; Rinku

    2015-01-01

    OBJECTIVES: Physical exercise provides multiple benefits to an individual. It is known that exercising regularly can prevent coronary heart disease, hypertension and obesity and improve flexibility. The effect of exercise on visual reaction time needs to be studied, a s the existing data on the benefit of aerobic exercise on psychomotor functions is insufficient. MATERIALS AND METHODS: Online Visual reaction time is measured before and after exercise. Subjects were ...

  15. Oxygen evolution reaction catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Haber, Joel A.; Jin, Jian; Xiang, Chengxiang; Gregoire, John M.; Jones, Ryan J.; Guevarra, Dan W.; Shinde, Aniketa A.

    2016-09-06

    An Oxygen Evolution Reaction (OER) catalyst includes a metal oxide that includes oxygen, cerium, and one or more second metals. In some instances, the cerium is 10 to 80 molar % of the metals in the metal oxide and/or the catalyst includes two or more second metals. The OER catalyst can be included in or on an electrode. The electrode can be arranged in an oxygen evolution system such that the Oxygen Evolution Reaction occurs at the electrode.

  16. Meson production in + reactions

    Indian Academy of Sciences (India)

    H Machner; M Betigeri; J Bojowald; A Budzanowski; A Chatterjee; J Ernst; L Freindl; D Frekers; W Garske; K Grewer; A Hamacher; J Ilieva; L Jarczyk; K Kilian; S Kliczewski; W Klimala; D Kolev; T Kutsarova; J Lieb; H Machner; A Magiera; H Nann; L Pentchev; H S Plendl; D Protić; B Razen; P Von Rossen; B J Roy; R Siudak; J Smyrski; R V Srikantiah; A Strzałkowski; R Tsenov; K Zwoll

    2001-08-01

    Total and differential cross sections for the reactions $p+d → 3He + 0 with = ; and + → 3H + + were measured with the GEM detector at COSY for beam momenta between threshold and the maximum of the corresponding baryon resonance. For both reactions a strong forward–backward asymmetry was found. The data were compared with model calculations. The aspect of isospin symmetry breaking is studied.

  17. Immediate reaction to clarithromycin.

    Science.gov (United States)

    Gangemi, S; Ricciardi, L; Fedele, R; Isola, S; Purello-D'Ambrosio, F

    2001-01-01

    We present the case of bronchospastic reaction to clarithromycin had during a drug challenge test. Personal allergic history was negative for respiratory allergies and positive for adverse drug reactions to general and regional anesthesia and to ceftriaxone. After the administration of 1/4 of therapeutic dose of clarithromycin the patient showed dyspnea, cough and bronchospasm in all the lung fields. The positivity of the test was confirmed by the negativity to the administration of placebo. The quickness and the clinical characteristic of the adverse reaction suggest a pathogenic mechanism of immediate-type hypersensitivity. On reviewing the literature we have found no reports of bronchospastic reaction to clarithromycin. Macrolides are a class of antibiotics mainly used in the last years in place of beta-lactams because of a broad spectrum of action and a low allergic power. In fact, there are few reports on allergic reactions to these molecules. Clarithromycin is one of the latest macrolides, characterised by the presence of a 14-carbon-atom lactone ring as erythromycin, active on a wide spectrum of pathogens.

  18. Marketing Mix Reactions to Entry

    OpenAIRE

    Robinson, William T.

    1988-01-01

    Initial product, distribution, marketing expenditure, and price reactions by incumbents are examined for 115 entrants into oligopolistic markets. The most common reaction pattern is either no reaction or only a single reaction. It is very unusual for entrants to face reactions across the entire marketing mix. Reactions in the first two years after entry are explained as a function of the entrant's strategy, incumbent characteristics, and industry characteristics. The explanation provides insi...

  19. Introduction to chemical reaction engineering

    International Nuclear Information System (INIS)

    This deals with chemical reaction engineering with thirteen chapters. The contents of this book are introduction on reaction engineering, chemical kinetics, thermodynamics and chemical reaction, abnormal reactor, non-isothermal reactor, nonideal reactor, catalysis in nonuniform system, diffusion and reaction in porosity catalyst, design catalyst heterogeneous reactor in solid bed, a high molecule polymerization, bio reaction engineering, reaction engineering in material process, control multi-variable reactor process using digital computer.

  20. Chemical kinetics of gas reactions

    CERN Document Server

    Kondrat'Ev, V N

    2013-01-01

    Chemical Kinetics of Gas Reactions explores the advances in gas kinetics and thermal, photochemical, electrical discharge, and radiation chemical reactions. This book is composed of 10 chapters, and begins with the presentation of general kinetic rules for simple and complex chemical reactions. The next chapters deal with the experimental methods for evaluating chemical reaction mechanisms and some theories of elementary chemical processes. These topics are followed by discussions on certain class of chemical reactions, including unimolecular, bimolecular, and termolecular reactions. The rema

  1. Adverse reactions to cosmetics

    Directory of Open Access Journals (Sweden)

    Dogra A

    2003-03-01

    Full Text Available Adverse reaction to cosmetics constitute a small but significant number of cases of contact dermatitis with varied appearances. These can present as contact allergic dermatitis, photodermatitis, contact irritant dermatitis, contact urticaria, hypopigmentation, hyperpigmentotion or depigmentation, hair and nail breakage. Fifty patients were included for the study to assess the role of commonly used cosmetics in causing adverse reactions. It was found that hair dyes, lipsticks and surprisingly shaving creams caused more reaction as compared to other cosmetics. Overall incidence of contact allergic dermatitis seen was 3.3% with patients own cosmetics. Patch testing was also done with the basic ingredients and showed positive results in few cases where casual link could be established. It is recommended that labeling of the cosmetics should be done to help the dermatologists and the patients to identify the causative allergen in cosmetic preparation.

  2. Inflammatory reaction in chondroblastoma

    Energy Technology Data Exchange (ETDEWEB)

    Yamamura, Sigeki [Dept. of Orthopedic Surgery, Nagoya Univ. School of Medicine (Japan); Sato, Keiji [Dept. of Orthopedic Surgery, Nagoya Univ. School of Medicine (Japan); Sugiura, Hideshi [Dept. of Orthopedic Surgery, Nagoya Univ. School of Medicine (Japan); Iwata, Hisashi [Dept. of Orthopedic Surgery, Nagoya Univ. School of Medicine (Japan)

    1996-05-01

    The objective of this study was to evaluate the inflammatory reaction accompanying chondroblastoma and to define the value of the finding in clinical practice. We reviewed the clinical, radiographic, and magnetic resonance (MR) findings in six patients with histologically proven chondroblastoma. In all cases, MR imaging showered marrow and soft tissue edema. In four of six cases, periosteal reaction related to intra-osseous edema was more clearly demonstrated on MR imaging than on radiographs. Follow-up MR studies after surgery were available in three patients and all showed disappearance of inflammatory responses such as marrow and soft tissue edema, and reactive synovitis. We propose that these inflammatory reactions of chondroblastomas are inportant signs for detecting residual tumor in recurrences after surgery, as well as for making a precise diagnosis. The MR changes may also be valuable in demonstrating eradication of the tumor. (orig./MG)

  3. Nuclear structure, nuclear reaction

    OpenAIRE

    Etchegoyen, Maria Cristina Berisso de.; Sinclair, D.; Dr. D. Sinclair

    1982-01-01

    In this thesis, particle- particle angular correlations for reactions in non-zero degree geometry and with non-zero spin nuclei are performed and found to be a valuable tool for spin determination, (d-α) angular correlations in the reaction process 14N(6Li,d)18F* (α)14N are measured for three high excited states in 18F with a 6Li beam of 36MeV. Spins and parities for two of the observed states are determined, and in agreement with theoretical predictions, these states are s...

  4. Oral Hypersensitivity Reactions

    Science.gov (United States)

    ... and ulcers. Affected individuals may complain of a burning sensation and mouth sensitivity to cold, hot, and spicy foods. Lichenoid ... melon, and pineapple, are all associated with this syndrome. You should inform your ... reaction in the mouth, though some are more common than others. If ...

  5. Multinucleon transfer reactions

    International Nuclear Information System (INIS)

    Nuclear reactions induced by complex nuclei are studied. The description of the single neutron transfer is used to show some aspect of the theoretical treatment of transfer reactions and rules concerning the dependence of cross sections on quantum numbers of the initial and final channels are deduced. Strongly excited states of 20Ne, 19F, sup(16,17)0, 15N were studied experimentally by using different projectile-target combinations in the four-particle, eight-particle and ten-particle transfer reactions, leading to the some final nuclei. Obtained results are discussed. In addition, studies of the projectile break-up phenomenon were performed. The dissociation of 6Li and 7Li projectiles was investigated in reactions on Pb, Sn and Ni nuclei. These nuclei were chosen to allow measurements at one incident energy below, above and at the Coulomb barrier. The observed spectra indicate that the process proceeds primarily via the resonance level but the shape deviates from the shape which was calculated assuming isotropic decay of the excited 6Li in its center of mass system. The investigations of the elastic scattering turned out to be more fruitful and allowed to define better the Coulomb barrier for the 6Li-target system. (S.B.)

  6. Cluster knockout reactions

    Indian Academy of Sciences (India)

    Arun K Jain; B N Joshi

    2014-04-01

    Cluster knockout reactions are expected to reveal the amount of clustering (such as that of , d and even of heavier clusters such as 12C, 16O etc.) in the target nucleus. In simple terms, incident medium high-energy nuclear projectile interacts strongly with the cluster (present in the target nucleus) as if it were existing as a free entity. Theoretically, the relatively softer interactions of the two outgoing particles with the residual nucleus lead to optical distortions and are treated in terms of distorted wave (DW) formalism. The long-range projectile–cluster interaction is accounted for, in terms of the finite range (FR) direct reaction formalism, as against the more commonly adopted zero-range (ZR) distorted wave impulse approximation (DWIA) formalism. Comparison of the DWIA calculations with the observed data provide information about the momentum distribution and the clustering spectroscopic factor of the target nucleus. Interesting results and some recent advancements in the area of (, 2) reactions and heavy cluster knockout reactions are discussed. Importance of the finite-range vertex and the final-state interactions are brought out.

  7. Azlactone Reaction Developments.

    Science.gov (United States)

    de Castro, Pedro P; Carpanez, Arthur G; Amarante, Giovanni W

    2016-07-18

    Azlactones (also known as oxazolones) are heterocycles usually employed in the stereoselective synthesis of α,α-amino acids, heterocycles and natural products. The versatility of the azlactone scaffold arises from the numerous reactive sites, allowing its application in a diversity of transformations. This review aims to cover classical and recent applications of oxazolones, especially those involving stereoselective processes. After a short introduction on their structures and intrinsic reactivities, dynamic kinetic resolution (DKR) processes as well as reactions involving stereoselective formation of a new σ C-C bond, such as alkylation/allylation/arylation, aldol, ene, Michael and Mannich reactions will be exposed. Additionally, cycloadditions, Steglich rearrangement and sulfenylation reactions will also be discussed. Recent developments of the well-known Erlenmeyer azlactones will be described. For the most examples, the proposed mechanism, activation modes and/or key reaction intermediates will be exposed to rationalize both the final product and the observed stereochemistry. Finally, this review gives an overview of the synthetic utility of oxazolones. PMID:27245128

  8. EXERCISE AND REACTION TIMES

    Directory of Open Access Journals (Sweden)

    Varun

    2015-03-01

    Full Text Available OBJECTIVES: Physical exercise provides multiple benefits to an individual. It is known that exercising regularly can prevent coronary heart disease, hypertension and obesity and improve flexibility. The effect of exercise on visual reaction time needs to be studied, a s the existing data on the benefit of aerobic exercise on psychomotor functions is insufficient. MATERIALS AND METHODS: Online Visual reaction time is measured before and after exercise. Subjects were instructed to run on the spot with a springy step in ex aggerated motion for 50 to 60 counts at 2 counts per second, maintaining a constant rhythm. RESULTS: We observed that reaction time was significantly lower after performance of exercise. Individuals reported improved mental alertness, feel good factor, bet ter mood and increase circulation. CONCLUSION: Improving reaction times in sports can help the athlete to optimize his performance in making decisions and increasing attention span for example getting off the starting blocks sooner or successfully making c ontact with the ball. In addition this study shows that use of physical exercise helps improve cognitive function. Exercise proves to be a cheap non pharmacological alternative to improve cognitive performance.

  9. Reaction Formulation: A Bibliography.

    Science.gov (United States)

    Pedrini, D. T.; Pedrini, Bonnie C.

    Reaction formation was studied by Sigmund Freud. This defense mechanism may be related to repression, substitution, reversal, and compensation (or over-compensation). Alfred Adler considered compensation a basic process in his individual psychology. Anna Freud discussed some defense mechanisms, and Bibring, Dwyer, Huntington, and Valenstein…

  10. Explaining competitive reaction effects

    NARCIS (Netherlands)

    Leeflang, P.S.H.; Wittink, D.R.

    2001-01-01

    Changes in promotional expenditure decisions for a brand, as in other marketing decisions, should be based on the expected impact on purchase and consumption behavior as well as on the likely reactions by competitors. Purchase behavior may be predicted from estimated demand functions. Competitive re

  11. The Gewald multicomponent reaction

    NARCIS (Netherlands)

    Huang, Yijun; Doemling, Alexander

    2011-01-01

    The Gewald reaction of sulfur, cyanoacetic acid derivatives, and oxo-component (G-3CR) yielding highly substituted 2-aminothiophene derivatives has seen diverse applications in combinatorial and medicinal chemistry. Its products are of great use in pharmaceutical industry mainly as small molecular w

  12. Managing Your Emotional Reactions

    Science.gov (United States)

    ... takes a bit more practice for some people. Learning to React Well Managing emotional reactions means choosing how and when to express ... easier to make choices that work out well. Learning to react well takes ... at taking emotional situations in stride and expressing emotions in healthy ...

  13. Reaction product imaging

    Energy Technology Data Exchange (ETDEWEB)

    Chandler, D.W. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    Over the past few years the author has investigated the photochemistry of small molecules using the photofragment imaging technique. Bond energies, spectroscopy of radicals, dissociation dynamics and branching ratios are examples of information obtained by this technique. Along with extending the technique to the study of bimolecular reactions, efforts to make the technique as quantitative as possible have been the focus of the research effort. To this end, the author has measured the bond energy of the C-H bond in acetylene, branching ratios in the dissociation of HI, the energetics of CH{sub 3}Br, CD{sub 3}Br, C{sub 2}H{sub 5}Br and C{sub 2}H{sub 5}OBr dissociation, and the alignment of the CD{sub 3} fragment from CD{sub 3}I photolysis. In an effort to extend the technique to bimolecular reactions the author has studied the reaction of H with HI and the isotopic exchange reaction between H and D{sub 2}.

  14. Chemical Reactions at Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Michael Henderson and Nancy Ryan Gray

    2010-04-14

    Chemical reactions at surfaces underlie some of the most important processes of today, including catalysis, energy conversion, microelectronics, human health and the environment. Understanding surface chemical reactions at a fundamental level is at the core of the field of surface science. The Gordon Research Conference on Chemical Reactions at Surfaces is one of the premiere meetings in the field. The program this year will cover a broad range of topics, including heterogeneous catalysis and surface chemistry, surfaces in environmental chemistry and energy conversion, reactions at the liquid-solid and liquid-gas interface, electronic materials growth and surface modification, biological interfaces, and electrons and photons at surfaces. An exciting program is planned, with contributions from outstanding speakers and discussion leaders from the international scientific community. The conference provides a dynamic environment with ample time for discussion and interaction. Attendees are encouraged to present posters; the poster sessions are historically well attended and stimulate additional discussions. The conference provides an excellent opportunity for junior researchers (e.g. graduate students or postdocs) to present their work and interact with established leaders in the field.

  15. Photoneutron reactions in astrophysics

    Energy Technology Data Exchange (ETDEWEB)

    Varlamov, V. V., E-mail: Varlamov@depni.sinp.msu.ru; Ishkhanov, B. S.; Orlin, V. N.; Peskov, N. N.; Stopani, K. A. [Moscow State University, Skobeltsyn Institute of Nuclear Physics (Russian Federation)

    2014-12-15

    Among key problems in nuclear astrophysics, that of obtaining deeper insight into the mechanism of synthesis of chemical elements is of paramount importance. The majority of heavy elements existing in nature are produced in stars via radiative neutron capture in so-called s- and r processes, which are, respectively, slow and fast, in relation to competing β{sup −}-decay processes. At the same time, we know 35 neutron-deficient so-called bypassed p-nuclei that lie between {sup 74}Se and {sup 196}Hg and which cannot originate from the aforementioned s- and r-processes. Their production is possible in (γ, n), (γ, p), or (γ, α) photonuclear reactions. In view of this, data on photoneutron reactions play an important role in predicting and describing processes leading to the production of p-nuclei. Interest in determining cross sections for photoneutron reactions in the threshold energy region, which is of particular importance for astrophysics, has grown substantially in recent years. The use of modern sources of quasimonoenergetic photons obtained in processes of inverse Compton laser-radiation scattering on relativistic electronsmakes it possible to reveal rather interesting special features of respective cross sections, manifestations of pygmy E1 and M1 resonances, or the production of nuclei in isomeric states, on one hand, and to revisit the problem of systematic discrepancies between data on reaction cross sections from experiments of different types, on the other hand. Data obtained on the basis of our new experimental-theoretical approach to evaluating cross sections for partial photoneutron reactions are invoked in considering these problems.

  16. The human acrosome reaction

    Institute of Scientific and Technical Information of China (English)

    H.W.G.Baker; D.Y.Liu; C.Garrett; M.Martic

    2000-01-01

    We developed tests of sperm-oocyte interaction: sperm-zona binding, zona-induced acrosome reaction, spermzona penetration and sperm-oolemma binding, using oocytes which failed to fertilise in clinical in vitro fertilization (IVF). Although oocyte defects contribute to failure of sperm oocyte interaction, rarely are all oocytes from one woman affected. Low or zero fertilization in standard IVFwas usually caused by sperm abnormalities. Poor sperm-zona pellucida binding was frequently associated with failure of standard IVF and obvious defects of sperm motility or morphology. The size and shape of the acrosome is particularly important for sperm binding to the oocyte. The proportion of acrosome intact sperm in the insemination medium was related to the IVF rate. Inducing the acrosome reaction with a calcium ionophore reduced sperm-zona binding. Blocking acrosome dispersal with an acrosin inhibitor prevented spermzona penetration. Sperm-zona penetration was even more highly related to IVF rates than was sperm-zona binding. Some patients had low or zero fertilization rates with standard IVF but normal sperm by conventional tests and normal sperm-zona binding. Few of their sperm underwent the acrosome reaction on the surface of the zona and none penetrated the zona. In contrast, fertilization and pregnancy rates were high with intracytoplasmic sperm injection. We call thiscondition defective zona pellucida induced acrosome reaction. Discovery of the nature of the abnormalities in the signal transduction and effector pathways of the human zona pellucida induced acrosome reaction should result in simpler tests and treatments for the patients and also provide new leads for contraceptive development.

  17. Photooxidative reactions of psoralens

    International Nuclear Information System (INIS)

    The mechanism and biological significance of photooxidative reactions of psoralens are reviewed. Skin-photosensitizing activities of bifunctional and monofunctional psoralens are compared. Antioxidants tocopherols and butilated hydroxytoluene inhibit photochemical reactions of psoralens responsible for induction of erythema. The same antioxidants do not inhibit PUVA-therapy of psriasis. Though psoralens can generate singlet oxygen under UVA-irradiation (315 - 400 nm), nevertheless singlet oxygen does not play significant role in 8-methoxypsoralen (8-MOP) sensitized photooxidation of tocopherol or dihydroxyphenylalanine (DOPA). SH-compounds enhance the rate of 8-MOP sensitized photooxidation of DOPA by a factor of four, simultaneously the rate of oxidation of SH-groups is enhanced many fold in the presence of DOPA. Under UVA-irradiation in organic solvents psoralens are photooxidized. Dimeric photooxidized psoralens are easily destructed in water medium, their destruction induce oxidation of unsaturated lipids and DOPA. (author)

  18. Neutrons from Piezonuclear Reactions

    CERN Document Server

    Cardone, F; Mignani, R; Perconti, W; Petrucci, A; Rosetto, F; Spera, G

    2007-01-01

    We report the results obtained by cavitating water solutions of iron salts (iron chloride and iron nitrate) with different concentrations at different ultrasound powers. In all cases we detected a neutron radiation well higher than the background level. The neutron production is perfectly reproducible and can at some extent be controlled. These evidences for neutron emission generated by cavitation support some preliminary clues for the possibility of piezonuclear reactions (namely nuclear reactions induced by pressure and shock waves) obtained in the last ten years. We have been able for the first time to state some basic features of such a neutron emission induced by cavitation, namely: 1) a marked threshold behavior in power, energy and time; 2) its occurring without a concomitant production of gamma radiation.

  19. Reaction chemistry of cerium

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-01-01

    It is truly ironic that a synthetic organic chemist likely has far greater knowledge of the reaction chemistry of cerium(IV) than an inorganic colleague. Cerium(IV) reagents have long since been employed as oxidants in effecting a wide variety of organic transformations. Conversely, prior to the late 1980s, the number of well characterized cerium(IV) complexes did not extend past a handful of known species. Though in many other areas, interest in the molecular chemistry of the 4f-elements has undergone an explosive growth over the last twenty years, the chemistry of cerium(IV) has for the most part been overlooked. This report describes reactions of cerium complexes and structure.

  20. Polymerase chain reaction

    OpenAIRE

    Gaurav Solanki

    2015-01-01

    The polymerase chain reaction (PCR) is a technique in molecular biology to amplify a single or a few copies of a piece of DNA across several orders of magnitude, generating thousands to millions of copies of a particular DNA sequence. PCR is now a common and often indispensable technique used in medical and biological research labs for a variety of applications. There are three major steps involved in the PCR technique: denaturation, annealing and extension. PCR is useful in the investigation...

  1. Two photon reactions

    International Nuclear Information System (INIS)

    Some recent results from the field of photon-photon interaction are presented. After a brief general introduction author discusses resonance production, exclusive processes with the four pion final state (γγ→π+π-π+π-), exclusive reaction γγ→psi psi, γγ - 2 body final state and jet production. Total hadronic cross sections for γγ - interactions and the photon structure function are also considered. (M.F.W.)

  2. Photochemical reaction dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Moore, B.C. [Lawrence Berkeley Laboratory, Livermore, CA (United States)

    1993-12-01

    The purpose of the program is to develop a fundamental understanding of unimolecular and bimolecular reaction dynamics with application in combustion and energy systems. The energy dependence in ketene isomerization, ketene dissociation dynamics, and carbonyl substitution on organometallic rhodium complexes in liquid xenon have been studied. Future studies concerning unimolecular processes in ketene as well as energy transfer and kinetic studies of methylene radicals are discussed.

  3. Astrophysical Reaction Rates as a Challenge for Nuclear Reaction Theory

    OpenAIRE

    Rauscher, T.

    2010-01-01

    The relevant energy ranges for stellar nuclear reactions are introduced. Low-energy compound and direct reactions are discussed. Stellar modifications of the cross sections are presented. Implications for experiments are outlined.

  4. Insect bite reactions

    Directory of Open Access Journals (Sweden)

    Sanjay Singh

    2013-01-01

    Full Text Available Insects are a class of living creatures within the arthropods. Insect bite reactions are commonly seen in clinical practice. The present review touches upon the medically important insects and their places in the classification, the sparse literature on the epidemiology of insect bites in India, and different variables influencing the susceptibility of an individual to insect bites. Clinical features of mosquito bites, hypersensitivity to mosquito bites Epstein-Barr virus NK (HMB-EBV-NK disease, eruptive pseudoangiomatosis, Skeeter syndrome, papular pruritic eruption of HIV/AIDS, and clinical features produced by bed bugs, Mexican chicken bugs, assassin bugs, kissing bugs, fleas, black flies, Blandford flies, louse flies, tsetse flies, midges, and thrips are discussed. Brief account is presented of the immunogenic components of mosquito and bed bug saliva. Papular urticaria is discussed including its epidemiology, the 5 stages of skin reaction, the SCRATCH principle as an aid in diagnosis, and the recent evidence supporting participation of types I, III, and IV hypersensitivity reactions in its causation is summarized. Recent developments in the treatment of pediculosis capitis including spinosad 0.9% suspension, benzyl alcohol 5% lotion, dimethicone 4% lotion, isopropyl myristate 50% rinse, and other suffocants are discussed within the context of evidence derived from randomized controlled trials and key findings of a recent systematic review. We also touch upon a non-chemical treatment of head lice and the ineffectiveness of egg-loosening products. Knockdown resistance (kdr as the genetic mechanism making the lice nerves insensitive to permethrin is discussed along with the surprising contrary clinical evidence from Europe about efficacy of permethrin in children with head lice carrying kdr-like gene. The review also presents a brief account of insects as vectors of diseases and ends with discussion of prevention of insect bites and some

  5. Organic chemistry: Reactions triggered electrically

    Science.gov (United States)

    Xiang, Limin; Tao, N. J.

    2016-03-01

    Single-molecule experiments have revealed that chemical reactions can be controlled using electric fields -- and that the reaction rate is sensitive to both the direction and the strength of the applied field. See Letter p.88

  6. The nuclear reaction matrix

    Energy Technology Data Exchange (ETDEWEB)

    Krenciglowa, E.M.; Kung, C.L.; Kuo, T.T.S.; Osnes, E.

    1976-09-24

    Different definitions of the reaction matrix G appropriate to the calculation of nuclear structure are reviewed and discussed. Qualitative physical arguments are presented in support of a two-step calculation of the G-matrix for finite nuclei. In the first step the high-energy excitations are included using orthogonalized plane-wave intermediate states, and in the second step the low-energy excitations are added in, using harmonic oscillator intermediate states. Accurate calculations of G-matrix elements for nuclear structure calculations in the Aapprox. =18 region are performed following this procedure and treating the Pauli exclusion operator Q/sub 2//sub p/ by the method of Tsai and Kuo. The treatment of Q/sub 2//sub p/, the effect of the intermediate-state spectrum and the energy dependence of the reaction matrix are investigated in detail. The present matrix elements are compared with various matrix elements given in the literature. In particular, close agreement is obtained with the matrix elements calculated by Kuo and Brown using approximate methods. (AIP)

  7. Zeolite Catalyzed Aldol Condensation Reactions

    OpenAIRE

    Adedayo I. Inegbenebor; Raphael C. Mordi; Oluwakayode M. Ogunwole

    2015-01-01

    The review is based on the description of zeolite structure, uses, synthesis, and catalytic aldol reaction in aldol condensation. An internal aldolcondensation reaction has been achieved over ZSM-5 zeolite with high silica-alumina ratio at 350oC. It therefore follows that zeolite canfunction as a catalyst in aldol type condensation reactions and that weak acid sites as well as a small number of active sites favor the aldolcondensation reaction of carbonyl compounds. However, the mixed condens...

  8. Mass Transfer with Chemical Reaction.

    Science.gov (United States)

    DeCoursey, W. J.

    1987-01-01

    Describes the organization of a graduate course dealing with mass transfer, particularly as it relates to chemical reactions. Discusses the course outline, including mathematics models of mass transfer, enhancement of mass transfer rates by homogeneous chemical reaction, and gas-liquid systems with chemical reaction. (TW)

  9. Status of breakup reaction theory

    International Nuclear Information System (INIS)

    Recent studies on breakup reactions with the continuum-discretized coupled-channels method are reviewed. The topics covered are: four-body breakup processes for 6He induced reaction, dynamical relativistic effects on Coulomb breakup, microscopic description of projectile breakup processes, description of ternary processes (new triple-α reaction rate) and new approach to inclusive breakup processes.

  10. Nuclear reactions an introduction

    CERN Document Server

    Paetz gen. Schieck, Hans

    2014-01-01

    Nuclei and nuclear reactions offer a unique setting for investigating three (and in some cases even all four) of the fundamental forces in nature. Nuclei have been shown – mainly by performing scattering experiments with electrons, muons, and neutrinos – to be extended objects with complex internal structures: constituent quarks; gluons, whose exchange binds the quarks together; sea-quarks, the ubiquitous virtual quark-antiquark pairs and, last but not least, clouds of virtual mesons, surrounding an inner nuclear region, their exchange being the source of the nucleon-nucleon interaction.   The interplay between the (mostly attractive) hadronic nucleon-nucleon interaction and the repulsive Coulomb force is responsible for the existence of nuclei; their degree of stability, expressed in the details and limits of the chart of nuclides; their rich structure and the variety of their interactions. Despite the impressive successes of the classical nuclear models and of ab-initio approaches, there is clearly no ...

  11. Polymerase Chain Reaction

    Directory of Open Access Journals (Sweden)

    Gaurav Solanki

    2012-10-01

    Full Text Available The polymerase chain reaction (PCR is a technique in molecular biology to amplify a single or a few copies of a piece of DNA across several orders of magnitude, generating thousands to millions of copies of a particular DNA sequence. PCR is now a common and often indispensable technique used in medical and biological research labs for a variety of applications. There are three major steps involved in the PCR technique: denaturation, annealing and extension. PCR is useful in the investigation and diagnosis of a growing number of diseases. PCR is also used in forensics laboratories. PCR can identify genes that have been implicated in the development of cancer. The present paper is an attempt to review basics of PCR in relation to its methods, application and use.

  12. Eikonal reaction theory

    CERN Document Server

    Yahiro, Masanobu; Minomo, Kosho

    2011-01-01

    We present an accurate method of treating the one-neutron removal reaction at intermediate incident energies induced by both nuclear and Coulomb interactions. In the method, the nuclear and Coulomb breakup processes are consistently treated by the method of continuum discretized coupled channels without making the adiabatic approximation to the Coulomb interaction, so that the removal cross section calculated never diverges. This method is applied to recently measured one-neutron removal cross section for $^{31}$Ne+$^{12}$C scattering at 230 MeV/nucleon and $^{31}$Ne+$^{208}$Pb scattering at 234 MeV/nucleon. The spectroscopic factor and the asymptotic normalization coefficient of the last neutron in $^{31}$Ne are evaluated.

  13. Nuclear reactions in astrophysics

    Energy Technology Data Exchange (ETDEWEB)

    Arnould, M.; Rayet, M. (Universite Libre de Bruxelles (BE))

    1990-06-01

    At all times and at all astrophysical scales, nuclear reactions have played and continue to play a key role. This concerns the energetics as well as the production of nuclides (nucleosynthesis). After a brief review of the observed composition of various objects in the universe, and especially of the solar system, the basic ingredients that are required in order to build up models for the chemical evolution of galaxies are sketched. Special attention is paid to the evaluation of the stellar yields through an overview of the important burning episodes and nucleosynthetic processes that can develop in non-exploding or exploding stars. Emphasis is put on the remaining astrophysical and nuclear physics uncertainties that hamper a clear understanding of the observed characteristics, and especially compositions, of a large variety of astrophysical objects.

  14. Kinetics of Bio-Reactions

    DEFF Research Database (Denmark)

    Villadsen, John

    2015-01-01

    his chapter predicts the specific rates of reaction by means of a mathematical expression, the kinetics of the reaction. This expression can be derived through a mechanistic interpretation of an enzymatically catalyzed reaction, but it is essentially of empirical nature for cell reactions....... The models can be used in mass balances for design of processes under process conditions not yet studied experimentally. The value of the predictive kinetic model depends on the quality of the experimental data on which the model is based, and well-founded kinetic models for enzyme reactions have...... a considerable predictive power. This is also true for cell reaction models, when the model is used in its proper context. The chapter first discusses the kinetics for enzymatically catalyzed reactions (“enzyme reactions”). The kinetics can be derived from a mechanistic model. Then, the chapter derives empirical...

  15. Resonance Reaction in Diffusion-Influenced Bimolecular Reactions

    CERN Document Server

    Kolb, Jakob J; Dzubiella, Joachim

    2016-01-01

    We investigate the influence of a stochastically fluctuating step-barrier potential on bimolecular reaction rates by exact analytical theory and stochastic simulations. We demonstrate that the system exhibits a new resonant reaction behavior with rate enhancement if an appropriately defined fluctuation decay length is of the order of the system size. Importantly, we find that in the proximity of resonance the standard reciprocal additivity law for diffusion and surface reaction rates is violated due to the dynamical coupling of multiple kinetic processes. Together, these findings may have important repercussions on the correct interpretation of various kinetic reaction problems in complex systems, as, e.g., in biomolecular association or catalysis.

  16. Hemolytic Transfusion Reactions

    Directory of Open Access Journals (Sweden)

    Fatih Mehmet Azık

    2011-12-01

    Full Text Available The prevalence of fatal hemolytic transfusion reactions (HTRs is approximately 1:200000 per unit. Acute HTRs occur during or within 24 h after administration of a blood product. Transfusion of incompatible red blood cells (RBCs, and, more rarely, of a large volume of incompatible plasma usually are the causative agents. Delayed HTRs are caused by a secondary immune response to an antigen on the donor’s RBCs. Different mechanisms lead to intra- and extravascular hemolysis, such as complete complement activation, phagocytosis of RBCs covered with C3b by macrophages after incomplete complement activation, or destruction of RBCs covered only with IgG by direct cell to cell contact with K cells. The clinical consequences of HTRs are triggered via several pathophysiological pathways. Formation of anaphylatoxins, release of cytokines causing a systemic inflammatory response syndrome, activation of the kinin system, the intrinsic clotting cascade and fibrinolysis result in hypotension, disseminated intravascular coagulation, diffuse bleeding, and disruption of microcirculation leading to renal failure and shock. In this review, the symptoms of HTR are introduced, laboratory investigations and treatment are described, and some recommendations for prevention are given. (Journal of Current Pediatrics 2011; 9: 127-32

  17. Two chamber reaction furnace

    Science.gov (United States)

    Blaugher, Richard D.

    1998-05-05

    A vertical two chamber reaction furnace. The furnace comprises a lower chamber having an independently operable first heating means for heating the lower chamber and a gas inlet means for admitting a gas to create an ambient atmosphere, and an upper chamber disposed above the lower chamber and having an independently operable second heating means for heating the upper chamber. Disposed between the lower chamber and the upper chamber is a vapor permeable diffusion partition. The upper chamber has a conveyor means for conveying a reactant there through. Of particular importance is the thallinating of long-length thallium-barium-calcium-copper oxide (TBCCO) or barium-calcium-copper oxide (BCCO) precursor tapes or wires conveyed through the upper chamber to thereby effectuate the deposition of vaporized thallium (being so vaporized as the first reactant in the lower chamber at a temperature between about 700.degree. and 800.degree. C.) on TBCCO or BCCO tape or wire (the second reactant) at its simultaneous annealing temperature in the upper chamber of about 800.degree. to 950.degree. C. to thereby replace thallium oxide lost from TBCCO tape or wire because of the high annealing temperature or to deposit thallium on BCCO tape or wire. Continuously moving the tape or wire provides a single-step process that effectuates production of long-length TBCCO superconducting product.

  18. Microwave-Accelerated Organic Reactions

    Institute of Scientific and Technical Information of China (English)

    LU; TaJung

    2001-01-01

    The use of microwave technology in accelerating organic reactions has received intense attention leading to immense growth recently. Accordingly, we have been interested in improving the efficacy of organic processes by microwave irradiation. Here we report our results on the microwave assisted 1,3-dipolar cycloaddition reaction of nitrile oxides with allylic alcohols, the cleavage reaction of 1,3-diketones under alkaline conditions, and the formation of carbamates from isocyanates with alcohols. The reactions carried out under microwave irradiation, in general, required considerably less reaction time and afforded the desired products in higher yields than those under classical conditions. In all the cases we have studied, the procedures are simplified, the purity of the products are higher, and the cost of reaction is greatly reduced employing microwave.  ……

  19. Microwave-Accelerated Organic Reactions

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    @@ The use of microwave technology in accelerating organic reactions has received intense attention leading to immense growth recently. Accordingly, we have been interested in improving the efficacy of organic processes by microwave irradiation. Here we report our results on the microwave assisted 1,3-dipolar cycloaddition reaction of nitrile oxides with allylic alcohols, the cleavage reaction of 1,3-diketones under alkaline conditions, and the formation of carbamates from isocyanates with alcohols. The reactions carried out under microwave irradiation, in general, required considerably less reaction time and afforded the desired products in higher yields than those under classical conditions. In all the cases we have studied, the procedures are simplified, the purity of the products are higher, and the cost of reaction is greatly reduced employing microwave.

  20. The Paterno-Buchi reaction

    DEFF Research Database (Denmark)

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

    2012-01-01

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

  1. The Glaser–Hay reaction

    DEFF Research Database (Denmark)

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

    2013-01-01

    on the scope of this reaction by using both 13C NMR and UV/Vis spectroscopic methods. The former method was used to study the kinetics of the coupling of aryl-substituted alkynes as the aryl carbon resonances of the reactants and products have similar NOEs and relaxation times. The reaction was found......), was found to have a significant effect on the rate of the reaction: The percentage of alkyne remaining after a certain time decreased linearly with the rate of stirring. On the basis of systematic studies, the optimized conditions for the coupling reaction using CuCl/TMEDA as the catalyst system......The oxidative Glaser–Hay coupling of two terminal alkynes to furnish a butadiyne is a key reaction for acetylenic scaffolding. Although the reaction is performed under rather simple conditions [CuCl/TMEDA/O2 (air)], the mechanism is still under debate. Herein we present detailed studies...

  2. Electrophilic Substitution Reactions of Indoles

    Science.gov (United States)

    Sundberg, Richard J.

    The topic of this chapter is electrophilic substitution of indole and its derivatives. The indole ring is highly reactive at its 3-position toward protonation, halogenation, alkylation and acylation. Electrophilic substitution can be combined with inter- or intramolecular addition at C-2. Intramolecular alkylation by iminium ions (Pictet-Spengler reaction) is particularly useful. Enantioselectivity can be achieved in many conjugate addition reactions. These reactions have been applied to synthesis of both natural products and drugs.

  3. Electrochemical reactions and ionization processes

    OpenAIRE

    Girault, Hubert; Liu, Baohong; Qiao, Liang; Bi, Hongyan; Prudent, Michel; Lion, Niels; Abonnenc, Mélanie

    2010-01-01

    Electrochemical or photo-electrochemical reactions in both electrospray ionization and laser desorption ionization are discussed stressing the role of the electrode reaction in influencing the ionization process. In particular, upon application of a high voltage during electrospray ionization, the emitter includes a working electrode, where redox reactions are observed, such as electro-generation of benzoquinone and metal ions. In contrast, the target plate in laser-induced desorption ionizat...

  4. Nuclear astrophysics from direct reactions

    OpenAIRE

    2008-01-01

    Accurate nuclear reaction rates are needed for primordial nucleosynthesis and hydrostatic burning in stars. The relevant reactions are extremely difficult to measure directly in the laboratory at the small astrophysical energies. In recent years direct reactions have been developed and applied to extract low-energy astrophysical S-factors. These methods require a combination of new experimental techniques and theoretical efforts, which are the subject of this presentation.

  5. Influences of Reaction Parameters on the Product of a Geothermite Reaction: A Multi-Component Oxidation-Reduction Reaction Study

    OpenAIRE

    Faierson, Eric J.

    2009-01-01

    This study investigated an oxidation-reduction reaction involving a mixture of minerals, glass, and aluminum that exhibited thermite-type reaction behavior. Thermite reactions are a class of Self-propagating High-temperature Synthesis (SHS) reactions. Chemical reactions between raw minerals and a reducing agent, which exhibit thermite-type reaction behavior, are termed geothermite reactions by the author. Geothermite reactions have the potential for use in In-Situ Resource Utilization (ISRU...

  6. [Reaction mechanism studies of heavy ion induced nuclear reactions

    International Nuclear Information System (INIS)

    This report contains papers that discuss: Target Dependence of Complex Fragment Emission in 47-MeV/u La-Induced Reactions; Deconvolution of Time-of-Flight Data to Improve Mass Identification; and Study of the Reaction of La + Al at E/A = 50 MeV with Landau-Vlasov Dynamics

  7. Dynamic Reaction Figures: An Integrative Vehicle for Understanding Chemical Reactions

    Science.gov (United States)

    Schultz, Emeric

    2008-01-01

    A highly flexible learning tool, referred to as a dynamic reaction figure, is described. Application of these figures can (i) yield the correct chemical equation by simply following a set of menu driven directions; (ii) present the underlying "mechanism" in chemical reactions; and (iii) help to solve quantitative problems in a number of different…

  8. 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.)

  9. Microscopic effective reaction theory for deuteron-induced reactions

    CERN Document Server

    Neoh, Yuen Sim; Minomo, Kosho; Ogata, Kazuyuki

    2016-01-01

    The microscopic effective reaction theory is applied to deuteron-induced reactions. A reaction model-space characterized by a $p+n+{\\rm A}$ three-body model is adopted, where A is the target nucleus, and the nucleon-target potential is described by a microscopic folding model based on an effective nucleon-nucleon interaction in nuclear medium and a one-body nuclear density of A. The three-body scattering wave function in the model space is obtained with the continuum-discretized coupled-channels method (CDCC), and the eikonal reaction theory (ERT), an extension of CDCC, is applied to the calculation of neutron removal cross sections. Elastic scattering cross sections of deuteron on $^{58}$Ni and $^{208}$Pb target nuclei at several energies are compared with experimental data. The total reaction cross sections and the neutron removal cross sections at 56 MeV on 14 target nuclei are calculated and compared with experimental values.

  10. Astronomy with Radioactivities: Chapter 9, Nuclear Reactions

    OpenAIRE

    Wiescher, M.; Rauscher, T.

    2010-01-01

    Nuclear reaction rates determine the abundances of isotopes in stellar burning processes. A multitude of reactions determine the reaction flow pattern which is described in terms of reaction network simulations. The reaction rates are determined by laboratory experiments supplemented by nuclear reaction and structure theory. We will discuss the experimental approach as well as the theoretical tools for obtaining the stellar reaction rates. A detailed analysis of a reaction is only possible fo...

  11. Chemistry of heavy ion reactions

    International Nuclear Information System (INIS)

    The use of heavy ions to induce nuclear reactions was reported as early as 1950. Since that time 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 wide variety of possible reactions gives rise to a multitude of products which have been studied by many ingenious 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 trans-Md 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. A review of the variety of chemical procedures and techniques which have been developed for the study of heavy ion reactions and their products is given. Determination of the chemical properties of the trans-Md elements, which are very short-lived and can only be produced an ''atom-at-a-time'' via heavy ion reactions, is discussed. 53 refs., 19 figs

  12. Free Radical Reactions in Food.

    Science.gov (United States)

    Taub, Irwin A.

    1984-01-01

    Discusses reactions of free radicals that determine the chemistry of many fresh, processed, and stored foods. Focuses on reactions involving ascorbic acid, myoglobin, and palmitate radicals as representative radicals derived from a vitamin, metallo-protein, and saturated lipid. Basic concepts related to free radical structure, formation, and…

  13. Zeolite Catalyzed Aldol Condensation Reactions

    Directory of Open Access Journals (Sweden)

    Adedayo I. Inegbenebor

    2015-03-01

    Full Text Available The review is based on the description of zeolite structure, uses, synthesis, and catalytic aldol reaction in aldol condensation. An internal aldolcondensation reaction has been achieved over ZSM-5 zeolite with high silica-alumina ratio at 350oC. It therefore follows that zeolite canfunction as a catalyst in aldol type condensation reactions and that weak acid sites as well as a small number of active sites favor the aldolcondensation reaction of carbonyl compounds. However, the mixed condensation product was found to be favored at temperatures above 300oCand the self-condensation of ethanal to crotonaldehyde was favored at temperatures below 300oC. It has also been suggested that both Brønstedand Lewis acids are involved in aldol reactions with Lewis acid sites the most probable catalytic sites. The zeolite group of minerals has founduse in many chemical and allied industries.

  14. Effective reaction rates for diffusion-limited reaction cycles

    Science.gov (United States)

    Nałecz-Jawecki, Paweł; Szymańska, Paulina; Kochańczyk, Marek; Miekisz, Jacek; Lipniacki, Tomasz

    2015-12-01

    Biological signals in cells are transmitted with the use of reaction cycles, such as the phosphorylation-dephosphorylation cycle, in which substrate is modified by antagonistic enzymes. An appreciable share of such reactions takes place in crowded environments of two-dimensional structures, such as plasma membrane or intracellular membranes, and is expected to be diffusion-controlled. In this work, starting from the microscopic bimolecular reaction rate constants and using estimates of the mean first-passage time for an enzyme-substrate encounter, we derive diffusion-dependent effective macroscopic reaction rate coefficients (EMRRC) for a generic reaction cycle. Each EMRRC was found to be half of the harmonic average of the microscopic rate constant (phosphorylation c or dephosphorylation d), and the effective (crowding-dependent) motility divided by a slowly decreasing logarithmic function of the sum of the enzyme concentrations. This implies that when c and d differ, the two EMRRCs scale differently with the motility, rendering the steady-state fraction of phosphorylated substrate molecules diffusion-dependent. Analytical predictions are verified using kinetic Monte Carlo simulations on the two-dimensional triangular lattice at the single-molecule resolution. It is demonstrated that the proposed formulas estimate the steady-state concentrations and effective reaction rates for different sets of microscopic reaction rates and concentrations of reactants, including a non-trivial example where with increasing diffusivity the fraction of phosphorylated substrate molecules changes from 10% to 90%.

  15. Eikonal reaction theory for two-neutron removal reactions

    CERN Document Server

    Minomo, K; Egashira, K; Ogata, K; Yahiro, M

    2014-01-01

    The eikonal reaction theory (ERT) proposed lately is a method of calculating one-neutron removal reactions at intermediate incident energies in which Coulomb breakup is treated accurately with the continuum discretized coupled-channels method. ERT is extended to two-neutron removal reactions. ERT reproduces measured one- and two-neutron removal cross sections for 6He scattering on 12C and 208Pb targets at 240 MeV/nucleon and also on a 28Si target at 52 MeV/nucleon. For the heavier target in which Coulomb breakup is important, ERT yields much better agreement with the measured cross sections than the Glauber model.

  16. Integrated Microreactors for Reaction Automation: New Approaches to Reaction Development

    Science.gov (United States)

    McMullen, Jonathan P.; Jensen, Klavs F.

    2010-07-01

    Applications of microsystems (microreactors) in continuous-flow chemistry have expanded rapidly over the past two decades, with numerous reports of higher conversions and yields compared to conventional batch benchtop equipment. Synthesis applications are enhanced by chemical information gained from integrating microreactor components with sensors, actuators, and automated fluid handling. Moreover, miniaturized systems allow experiments on well-defined samples at conditions not easily accessed by conventional means, such as reactions at high pressure and temperatures. The wealth of synthesis information that could potentially be acquired through use of microreactors integrated with physical sensors and analytical chemistry techniques for online reaction monitoring has not yet been well explored. The increased efficiency resulting from use of continuous-flow microreactor platforms to automate reaction screening and optimization encourages a shift from current batchwise chemical reaction development to this new approach. We review advances in this new area and provide application examples of online monitoring and automation.

  17. Drug hypersensitivity reactions involving skin.

    Science.gov (United States)

    Hausmann, Oliver; Schnyder, Benno; Pichler, Werner J

    2010-01-01

    Immune reactions to drugs can cause a variety of diseases involving the skin, liver, kidney, lungs, and other organs. Beside immediate, IgE-mediated reactions of varying degrees (urticaria to anaphylactic shock), many drug hypersensitivity reactions appear delayed, namely hours to days after starting drug treatment, showing a variety of clinical manifestations from solely skin involvement to fulminant systemic diseases which may be fatal. Immunohistochemical and functional studies of drug-specific T cells in patients with delayed reactions confirmed a predominant role for T cells in the onset and maintenance of immune-mediated delayed drug hypersensitivity reactions (type IV reactions). In these reactions, drug-specific CD4+ and CD8+ T cells are stimulated by drugs through their T cell receptors (TCR). Drugs can stimulate T cells in two ways: they can act as haptens and bind covalently to larger protein structures (hapten-carrier model), inducing a specific immune response. In addition, they may accidentally bind in a labile, noncovalent way to a particular TCR of the whole TCR repertoire and possibly also major histocompatibility complex (MHC)-molecules - similar to their pharmacologic action. This seems to be sufficient to reactivate certain, probably in vivo preactivated T cells, if an additional interaction of the drug-stimulated TCR with MHC molecules occurs. The mechanism was named pharmacological interaction of a drug with (immune) receptor and thus termed the p-i concept. This new concept may explain the frequent skin symptoms in drug hypersensitivity to oral or parenteral drugs. Furthermore, the various clinical manifestations of T cell-mediated drug hypersensitivity may be explained by distinct T cell functions leading to different clinical phenotypes. These data allowed a subclassification of the delayed hypersensitivity reactions (type IV) into T cell reactions which, by releasing certain cytokines and chemokines, preferentially activate and recruit

  18. [Food hypersensibility: inhalation reactions are different from ingestion reactions].

    Science.gov (United States)

    Baranes, T; Bidat, E

    2008-06-01

    Eight children, aged from 3 to 9 years, presented to inhaled peanut an immediate allergic reaction. All were sensitized to peanut but none had already ingested it overtly. A strict avoidance diet was prescribed concerning this food allergen. An oral provocation challenge was realized to determine the eliciting dose (ED) to ingestion. The ED was high enough to allow all the children a less restrictive diet. Inhaled allergic reaction to peanut does not always justify a strict avoidance diet. PMID:18456474

  19. Palladium-catalyzed coupling reactions

    CERN Document Server

    Molnár, Árpád

    2013-01-01

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

  20. Chemical potential and reaction electronic flux in symmetry controlled reactions.

    Science.gov (United States)

    Vogt-Geisse, Stefan; Toro-Labbé, Alejandro

    2016-07-15

    In symmetry controlled reactions, orbital degeneracies among orbitals of different symmetries can occur along a reaction coordinate. In such case Koopmans' theorem and the finite difference approximation provide a chemical potential profile with nondifferentiable points. This results in an ill-defined reaction electronic flux (REF) profile, since it is defined as the derivative of the chemical potential with respect to the reaction coordinate. To overcome this deficiency, we propose a new way for the calculation of the chemical potential based on a many orbital approach, suitable for reactions in which symmetry is preserved. This new approach gives rise to a new descriptor: symmetry adapted chemical potential (SA-CP), which is the chemical potential corresponding to a given irreducible representation of a symmetry group. A corresponding symmetry adapted reaction electronic flux (SA-REF) is also obtained. Using this approach smooth chemical potential profiles and well defined REFs are achieved. An application of SA-CP and SA-REF is presented by studying the Cs enol-keto tautomerization of thioformic acid. Two SA-REFs are obtained, JA'(ξ) and JA'' (ξ). It is found that the tautomerization proceeds via an in-plane delocalized 3-center 4-electron O-H-S hypervalent bond which is predicted to exist only in the transition state (TS) region. © 2016 Wiley Periodicals, Inc.

  1. Bulk Nuclear Properties from Reactions

    OpenAIRE

    Danielewicz, P.

    2002-01-01

    Extraction of bulk nuclear properties by comparing reaction observables to results from semiclassical transport-model simulations is discussed. Specific properties include the nuclear viscosity, incompressibility and constraints on the nuclear pressure at supranormal densities.

  2. Engineering reactors for catalytic reactions

    Indian Academy of Sciences (India)

    Vivek V Ranade

    2014-03-01

    Catalytic reactions are ubiquitous in chemical and allied industries. A homogeneous or heterogeneous catalyst which provides an alternative route of reaction with lower activation energy and better control on selectivity can make substantial impact on process viability and economics. Extensive studies have been conducted to establish sound basis for design and engineering of reactors for practising such catalytic reactions and for realizing improvements in reactor performance. In this article, application of recent (and not so recent) developments in engineering reactors for catalytic reactions is discussed. Some examples where performance enhancement was realized by catalyst design, appropriate choice of reactor, better injection and dispersion strategies and recent advances in process intensification/ multifunctional reactors are discussed to illustrate the approach.

  3. Legendre Analysis of Hadronic Reactions

    CERN Document Server

    Azimov, Ya I

    2016-01-01

    Expansions over Legendre functions are suggested as a model-independent way of compact presentation of modern precise and high-statistics data for two-hadron reactions. Some properties of the expansions are described.

  4. Statistical emission in nuclear reactions

    International Nuclear Information System (INIS)

    Statistical model in nuclear reactions has been extensively developed in the past decades, mainly by V. Weisskopf. However, a clear understanding of the experimental situation regarding low- and medium- energy nuclear reaction is not yet settled. The interpretation is complicated by the fact that often the reactions proceed via other mechanisms, for instance direct effects. The purpose 'of the present paper is to show how a great number of experiments can be put in agreement with the statistical formulas, and particularly the resonance measurements for slow neutrons, the evaporation spectra from medium-energy (n, n'), (p, n) and (n, p) reactions and the (n, p) cross-sections at 14 MeV. From the set of experiments discussed it is possible to obtain a consistent table of a, the parameter of the level density formula. (author)

  5. Color Changes Mark Polymer Reactions.

    Science.gov (United States)

    Krieger, James H.

    1980-01-01

    Describes how polydiacetylenes can be used as educational aids. These polymers have conjugated backbones, which cause changes in color when the polydiacetylenes undergo various chemical and physical processes. Diagrams summarize all chemical reactions and their associated color changes. (CS)

  6. Transfer reactions in nuclear astrophysics

    Science.gov (United States)

    Bardayan, D. W.

    2016-08-01

    To a high degree many aspects of the large-scale behavior of objects in the Universe are governed by the underlying nuclear physics. In fact the shell structure of nuclear physics is directly imprinted into the chemical abundances of the elements. The tranquility of the night sky is a direct result of the relatively slow rate of nuclear reactions that control and determines a star’s fate. Understanding the nuclear structure and reaction rates between nuclei is vital to understanding our Universe. Nuclear-transfer reactions make accessible a wealth of knowledge from which we can extract much of the required nuclear physics information. A review of transfer reactions for nuclear astrophysics is presented with an emphasis on the experimental challenges and opportunities for future development.

  7. Spatial model of autocatalytic reactions

    OpenAIRE

    De Anna, Pietro; Di Patti, Francesca; Fanelli, Duccio; McKane, Alan J.; Dauxois, Thierry

    2010-01-01

    Biological cells with all of their surface structure and complex interior stripped away are essentially vesicles - membranes composed of lipid bilayers which form closed sacs. Vesicles are thought to be relevant as models of primitive protocells, and they could have provided the ideal environment for pre-biotic reactions to occur. In this paper, we investigate the stochastic dynamics of a set of autocatalytic reactions, within a spatially bounded domain, so as to mimic a primordial cell. The ...

  8. Thermodynamics of random reaction networks.

    Directory of Open Access Journals (Sweden)

    Jakob Fischer

    Full Text Available Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.

  9. Psychosocial reactions to physical illness.

    OpenAIRE

    Lipowski, Z J

    1983-01-01

    Recently medical educators have emphasized the need for physicians to acquire the skills to deal with psychologic aspects of patient care. To facilitate this task a descriptive schema is presented for use in evaluating patients' psychosocial reactions to physical illness. Three core components of such reactions are: the personal meaning of illness, emotional responses to illness and modes of coping with illness. Clinical application of this schema may help with patient management and prevent ...

  10. Drug Reactions in Oral Mucosa

    Directory of Open Access Journals (Sweden)

    Emine Derviş

    2012-12-01

    Full Text Available Both immunologic and nonimmunologic drug reactions can be seen in oral mucosa. Since considerable number of these reactions heals spontaneously without being noticed by the patients, exact frequency of the lesions is unknown. Most common lesions are xerostomia, taste disorders, mucosal ulcerations and edema. In this article, oral lesions resulting from drug intake similar to those from oral lesions of local and systemic diseases, and diagnostic problems caused by these similarities, have been reviewed.

  11. Polarization phenomena in collinear reactions

    Science.gov (United States)

    Moravcsik, Michael J.; Arash, Firooz

    1985-06-01

    It is shown for a collinear reaction containing four particles with arbitrary spins which amplitudes remain nonzero and how they are related to the observables. In terms of primary observables all submatrices relating products of amplitudes to observables either vanish or turn into one-by-one submatrices, except the 8i types which may turn into three-by-three submatrices, but these latter submatrices are mostly avoidable when determining amplitudes. In terms of the secondary observables the 1M and 2i submatrices are slightly larger. Specifically, it is shown that in collinear reactions all observables in which only one particle is polarized (no matter how) vanish. Since reactions at very high energies are expected to be predominantly very close to being collinear, the smallness of such observables in such reactions can be expected on general grounds but polarization effects involving observables with more than one polarized particle can very well be very large. An iterative approximation method for the polarization analysis of reactions at very high energies is suggested. The results of this paper are also applicable to all models in which helicity conservation holds, since they are, for all t values, formally identical with collinear reactions.

  12. Polarization phenomena in collinear reactions

    International Nuclear Information System (INIS)

    It is shown for a collinear reaction containing four particles with arbitrary spins which amplitudes remain nonzero and how they are related to the observables. In terms of primary observables all submatrices relating products of amplitudes to observables either vanish or turn into one-by-one submatrices, except the 8/sub i/ types which may turn into three-by-three submatrices, but these latter submatrices are mostly avoidable when determining amplitudes. In terms of the secondary observables the 1/sub M/ and 2/sub i/ submatrices are slightly larger. Specifically, it is shown that in collinear reactions all observables in which only one particle is polarized (no matter how) vanish. Since reactions at very high energies are expected to be predominantly very close to being collinear, the smallness of such observables in such reactions can be expected on general grounds but polarization effects involving observables with more than one polarized particle can very well be very large. An iterative approximation method for the polarization analysis of reactions at very high energies is suggested. The results of this paper are also applicable to all models in which helicity conservation holds, since they are, for all t values, formally identical with collinear reactions

  13. Reaction rates for mesoscopic reaction-diffusion kinetics.

    Science.gov (United States)

    Hellander, Stefan; Hellander, Andreas; Petzold, Linda

    2015-02-01

    The mesoscopic reaction-diffusion master equation (RDME) is a popular modeling framework frequently applied to stochastic reaction-diffusion kinetics in systems biology. The RDME is derived from assumptions about the underlying physical properties of the system, and it may produce unphysical results for models where those assumptions fail. In that case, other more comprehensive models are better suited, such as hard-sphere Brownian dynamics (BD). Although the RDME is a model in its own right, and not inferred from any specific microscale model, it proves useful to attempt to approximate a microscale model by a specific choice of mesoscopic reaction rates. In this paper we derive mesoscopic scale-dependent reaction rates by matching certain statistics of the RDME solution to statistics of the solution of a widely used microscopic BD model: the Smoluchowski model with a Robin boundary condition at the reaction radius of two molecules. We also establish fundamental limits on the range of mesh resolutions for which this approach yields accurate results and show both theoretically and in numerical examples that as we approach the lower fundamental limit, the mesoscopic dynamics approach the microscopic dynamics. We show that for mesh sizes below the fundamental lower limit, results are less accurate. Thus, the lower limit determines the mesh size for which we obtain the most accurate results.

  14. Reaction rates for a generalized reaction-diffusion master equation.

    Science.gov (United States)

    Hellander, Stefan; Petzold, Linda

    2016-01-01

    It has been established that there is an inherent limit to the accuracy of the reaction-diffusion master equation. Specifically, there exists a fundamental lower bound on the mesh size, below which the accuracy deteriorates as the mesh is refined further. In this paper we extend the standard reaction-diffusion master equation to allow molecules occupying neighboring voxels to react, in contrast to the traditional approach, in which molecules react only when occupying the same voxel. We derive reaction rates, in two dimensions as well as three dimensions, to obtain an optimal match to the more fine-grained Smoluchowski model and show in two numerical examples that the extended algorithm is accurate for a wide range of mesh sizes, allowing us to simulate systems that are intractable with the standard reaction-diffusion master equation. In addition, we show that for mesh sizes above the fundamental lower limit of the standard algorithm, the generalized algorithm reduces to the standard algorithm. We derive a lower limit for the generalized algorithm which, in both two dimensions and three dimensions, is of the order of the reaction radius of a reacting pair of molecules.

  15. Reaction rates for a generalized reaction-diffusion master equation

    Science.gov (United States)

    Hellander, Stefan; Petzold, Linda

    2016-01-01

    It has been established that there is an inherent limit to the accuracy of the reaction-diffusion master equation. Specifically, there exists a fundamental lower bound on the mesh size, below which the accuracy deteriorates as the mesh is refined further. In this paper we extend the standard reaction-diffusion master equation to allow molecules occupying neighboring voxels to react, in contrast to the traditional approach, in which molecules react only when occupying the same voxel. We derive reaction rates, in two dimensions as well as three dimensions, to obtain an optimal match to the more fine-grained Smoluchowski model and show in two numerical examples that the extended algorithm is accurate for a wide range of mesh sizes, allowing us to simulate systems that are intractable with the standard reaction-diffusion master equation. In addition, we show that for mesh sizes above the fundamental lower limit of the standard algorithm, the generalized algorithm reduces to the standard algorithm. We derive a lower limit for the generalized algorithm which, in both two dimensions and three dimensions, is of the order of the reaction radius of a reacting pair of molecules.

  16. Reaction rates for mesoscopic reaction-diffusion kinetics

    Science.gov (United States)

    Hellander, Stefan; Hellander, Andreas; Petzold, Linda

    2015-02-01

    The mesoscopic reaction-diffusion master equation (RDME) is a popular modeling framework frequently applied to stochastic reaction-diffusion kinetics in systems biology. The RDME is derived from assumptions about the underlying physical properties of the system, and it may produce unphysical results for models where those assumptions fail. In that case, other more comprehensive models are better suited, such as hard-sphere Brownian dynamics (BD). Although the RDME is a model in its own right, and not inferred from any specific microscale model, it proves useful to attempt to approximate a microscale model by a specific choice of mesoscopic reaction rates. In this paper we derive mesoscopic scale-dependent reaction rates by matching certain statistics of the RDME solution to statistics of the solution of a widely used microscopic BD model: the Smoluchowski model with a Robin boundary condition at the reaction radius of two molecules. We also establish fundamental limits on the range of mesh resolutions for which this approach yields accurate results and show both theoretically and in numerical examples that as we approach the lower fundamental limit, the mesoscopic dynamics approach the microscopic dynamics. We show that for mesh sizes below the fundamental lower limit, results are less accurate. Thus, the lower limit determines the mesh size for which we obtain the most accurate results.

  17. Nuclear Reactions for Astrophysics and Other Applications

    Energy Technology Data Exchange (ETDEWEB)

    Escher, J E; Burke, J T; Dietrich, F S; Scielzo, N D; Ressler, J J

    2011-03-01

    Cross sections for compound-nuclear reactions are required for many applications. The surrogate nuclear reactions method provides an indirect approach for determining cross sections for reactions on unstable isotopes, which are difficult or impossible to measure otherwise. Current implementations of the method provide useful cross sections for (n,f) reactions, but need to be improved upon for applications to capture reactions.

  18. Reaction pathways of propene pyrolysis.

    Science.gov (United States)

    Qu, Yena; Su, Kehe; Wang, Xin; Liu, Yan; Zeng, Qingfeng; Cheng, Laifei; Zhang, Litong

    2010-05-01

    The gas-phase reaction pathways in preparing pyrolytic carbon with propene pyrolysis have been investigated in detail with a total number of 110 transition states and 50 intermediates. The structure of the species was determined with density functional theory at B3PW91/6-311G(d,p) level. The transition states and their linked intermediates were confirmed with frequency and the intrinsic reaction coordinates analyses. The elementary reactions were explored in the pathways of both direct and the radical attacking decompositions. The energy barriers and the reaction energies were determined with accurate model chemistry method at G3(MP2) level after an examination of the nondynamic electronic correlations. The heat capacities and entropies were obtained with statistical thermodynamics. The Gibbs free energies at 298.15 K for all the reaction steps were reported. Those at any temperature can be developed with classical thermodynamics by using the fitted (as a function of temperature) heat capacities. It was found that the most favorable paths are mainly in the radical attacking chain reactions. The chain was proposed with 26 reaction steps including two steps of the initialization of the chain to produce H and CH(3) radicals. For a typical temperature (1200 K) adopted in the experiments, the highest energy barriers were found in the production of C(3) to be 203.4 and 193.7 kJ/mol. The highest energy barriers for the production of C(2) and C were found 174.1 and 181.4 kJ/mol, respectively. These results are comparable with the most recent experimental observation of the apparent activation energy 201.9 +/- 0.6 or 137 +/- 25 kJ/mol. PMID:20082392

  19. Exchange Reactions. Proceedings of the Symposium on Exchange Reactions

    International Nuclear Information System (INIS)

    The mechanisms and kinetics of chemical reactions are of great interest to chemists. The study of exchange reactions in particular helps to shed light on the dynamics of chemical change, providing an insight into the structures and the reactivities of the chemical species involved. The main theme of this meeting was the subject of oxidation-reduction reactions in which the net result is the transfer of one or more electrons between the different oxidation states of the same element. Other studies reported included the transfer of protons, atoms, complex ligands or organic radicals between molecules. Heterogeneous exchange, which is of importance in many cases of catalytic action, was also considered. For a long time isotopic tracers have formed the most convenient means of studying exchange reactions and today a considerable amount of work continues to be done with their aid. Consequently, several papers presented at this Symposium reported on work carried out by purely radiochemical tracer methods. In recognition, however, of the important role which nuclear magnetic resonance and electron spin resonance play in this field, in particular in the study of fast reactions, a number of reports on investigations in which these techniques had been used was included in the programme. By kind invitation of the United States Government the Symposium on Exchange Reactions was held from 31 May to 4 June at the Brookhaven National Laboratory, Upton, Long Island, N.Y., USA. It was attended by 46 participants from nine countries and one inter-governmental organization. The publication of these Proceedings makes the contents of the papers and the discussion available to a wider audience

  20. A comprehensive survey of nuclear reactions; Panorama des reactions nucleaires

    Energy Technology Data Exchange (ETDEWEB)

    Cugnon, J. [Liege Univ., IFPA, AGO Dept. (Belgium)

    2007-07-01

    The various mechanisms of nuclear reactions are surveyed and classified in different regimes, based on the notions of coherent mechanisms and hard versus soft processes. The emphasis is put on the concepts at the basis of the understanding of these regimes and on the elements of nuclear structure which are involved in these different regimes, as well as the on the possibility of extracting this information. Due to lack of space and for pedagogical reasons, the discussion is limited to nucleon-induced and light-ion-induced reactions. However, a few remarks are given concerning some specific probes, such as weakly bound projectiles or neutron-rich nuclei. (author)

  1. Acute anaphylactic reaction to expired chlorpheniramine injection

    Institute of Scientific and Technical Information of China (English)

    Beuy Joob; Viroj Wiwanitkit

    2014-01-01

    Chlorpheniramine is a widely used drug for management of allergic reaction.The serious adverse reaction to this drug is extremely rare.In this report, the authors present a case of acute anaphylactic reaction to expired chlorpheniramine injection.

  2. Combustion kinetics and reaction pathways

    Energy Technology Data Exchange (ETDEWEB)

    Klemm, R.B.; Sutherland, J.W. [Brookhaven National Laboratory, Upton, NY (United States)

    1993-12-01

    This project is focused on the fundamental chemistry of combustion. The overall objectives are to determine rate constants for elementary reactions and to elucidate the pathways of multichannel reactions. A multitechnique approach that features three independent experiments provides unique capabilities in performing reliable kinetic measurements over an exceptionally wide range in temperature, 300 to 2500 K. Recent kinetic work has focused on experimental studies and theoretical calculations of the methane dissociation system (CH{sub 4} + Ar {yields} CH{sub 3} + H + Ar and H + CH{sub 4} {yields} CH{sub 3} + H{sub 2}). Additionally, a discharge flow-photoionization mass spectrometer (DF-PIMS) experiment is used to determine branching fractions for multichannel reactions and to measure ionization thresholds of free radicals. Thus, these photoionization experiments generate data that are relevant to both reaction pathways studies (reaction dynamics) and fundamental thermochemical research. Two distinct advantages of performing PIMS with high intensity, tunable vacuum ultraviolet light at the National Synchrotron Light Source are high detection sensitivity and exceptional selectivity in monitoring radical species.

  3. The Reaction of Acenaphthene with Nitrobenzene

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The reaction of acenaphthene with nitrobenzene was investigated in the presence of AlCl3 . The results showed that the reaction proceeded via carboncation-electrophilic substitution reaction and free radical substitution reaction pathway. The products of acenaphthenyl phenylamine and biacenaphthyl could be synthesized by this reaction. The influence of the amount of AlCl3 and the temperature on the components of products were also studied in this reaction.

  4. Adverse Reactions to Radiographic Contrast Material

    OpenAIRE

    Bush, William H.; Mullarkey, Michael F.; Webb, D. Robert

    1980-01-01

    Major adverse reactions to radiographic contrast media will occur more often as contrast material is now also administered during computerized tomographic (CT) scanning. Differentiation of the two major contrast reactions, the vagus reaction and the anaphylactoid reaction, is essential. Bradycardia is the key finding for identifying the vagus reaction. The vagus reaction involving hypotension and bradycardia requires treatment with large doses of atropine given intravenously. The immediate ge...

  5. OXYGEN-18 + OXYGEN-18 Reactions.

    Science.gov (United States)

    Yuan, Ren-Feng

    Cross sections for the ^{18 }O + ^{18}O reactions (fusion, inelastic excitation and transfer reactions) have been determined in the range 6.73 <=q E_{c.m}<=q 13.24 MeV by measuring the low-lying gamma-ray transitions in the residual nuclei with a high resolution Ge detector. A statistical model calculation of the populations of the residual nuclear states was employed in deducing cross sections from the measured gamma -yields. gamma-ray angular distributions were determined at E_{lab} = 20.0 MeV. The total fusion cross sections were compared with an IWBC calculation employing a parameter set obtained from fitting elastic scattering data. The interaction barrier shape has been obtained by means of the BKN inversion procedure and compared with the barriers for other oxygen isotopes. The inelastic scattering cross section and the two-neutron transfer reaction cross section are reproduced well by the DWBA approach.

  6. A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity.

    Science.gov (United States)

    Reimers, Jeffrey R; McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S

    2015-10-14

    While diabatic approaches are ubiquitous for the understanding of electron-transfer reactions and have been mooted as being of general relevance, alternate applications have not been able to unify the same wide range of observed spectroscopic and kinetic properties. The cause of this is identified as the fundamentally different orbital configurations involved: charge-transfer phenomena involve typically either 1 or 3 electrons in two orbitals whereas most reactions are typically closed shell. As a result, two vibrationally coupled electronic states depict charge-transfer scenarios whereas three coupled states arise for closed-shell reactions of non-degenerate molecules and seven states for the reactions implicated in the aromaticity of benzene. Previous diabatic treatments of closed-shell processes have considered only two arbitrarily chosen states as being critical, mapping these states to those for electron transfer. We show that such effective two-state diabatic models are feasible but involve renormalized electronic coupling and vibrational coupling parameters, with this renormalization being property dependent. With this caveat, diabatic models are shown to provide excellent descriptions of the spectroscopy and kinetics of the ammonia inversion reaction, proton transfer in N2H7(+), and aromaticity in benzene. This allows for the development of a single simple theory that can semi-quantitatively describe all of these chemical phenomena, as well as of course electron-transfer reactions. It forms a basis for understanding many technologically relevant aspects of chemical reactions, condensed-matter physics, chemical quantum entanglement, nanotechnology, and natural or artificial solar energy capture and conversion.

  7. Photonuclear reactions on titanium isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Belyshev, S. S. [Moscow State University (Russian Federation); Dzhilavyan, L. Z. [Russian Academy of Sciences, Institute for Nuclear Research (Russian Federation); Ishkhanov, B. S.; Kapitonov, I. M. [Moscow State University (Russian Federation); Kuznetsov, A. A., E-mail: kuznets@depni.sinp.msu.ru; Orlin, V. N.; Stopani, K. A. [Moscow State University, Skobeltsyn Institute of Nuclear Physics (Russian Federation)

    2015-03-15

    The photodisintegration of titanium isotopes in the giant-dipole-resonance energy region is studied by the photon-activation method. Bremsstrahlung photons whose spectrum has the endpoint energy of 55 MeV is used. The yields and integrated cross sections are determined for photoproton reactions on the titanium isotopes {sup 47,48,49,50}Ti. The respective experimental results are compared with their counterparts calculated on the basis of the TALYS code and a combined photonucleon-reaction model. The TALYS code disregards the isospin structure of the giant dipole resonance and is therefore unable to describe the yield of photoproton reactions on the heavy titanium isotopes {sup 49,50}Ti.

  8. Spatial model of autocatalytic reactions

    Science.gov (United States)

    de Anna, Pietro; di Patti, Francesca; Fanelli, Duccio; McKane, Alan J.; Dauxois, Thierry

    2010-05-01

    Biological cells with all of their surface structure and complex interior stripped away are essentially vesicles—membranes composed of lipid bilayers which form closed sacs. Vesicles are thought to be relevant as models of primitive protocells, and they could have provided the ideal environment for prebiotic reactions to occur. In this paper, we investigate the stochastic dynamics of a set of autocatalytic reactions, within a spatially bounded domain, so as to mimic a primordial cell. The discreteness of the constituents of the autocatalytic reactions gives rise to large sustained oscillations even when the number of constituents is quite large. These oscillations are spatiotemporal in nature, unlike those found in previous studies, which consisted only of temporal oscillations. We speculate that these oscillations may have a role in seeding membrane instabilities which lead to vesicle division. In this way synchronization could be achieved between protocell growth and the reproduction rate of the constituents (the protogenetic material) in simple protocells.

  9. Postcolumn reaction detectors for HPLC

    Energy Technology Data Exchange (ETDEWEB)

    Frei, R.W.; Jansen, H.; Brinkman, U.A.T.

    1985-12-01

    Currently, the best and most reliable HPLC (high-performance liquid chromatography) detectors are UV-VIS absorbance, fluorescence, and electrochemical detectors. It is attractive to try to expand their range of application by using suitable chemical derivatization techniques to convert the analytes of interest with their originally poor detection properties into compounds that can be detected with high sensitivity with these detectors. Besides an improvement of the detection properties, the chemical reaction can also enhance the selectivity of the total analytical method. The derivatization can be carried out either prior to the HPLC separation or by doing the reaction in an on-line postcolumn mode. Comparative advantages and disadvantages of these two approaches have been discussed previously. This paper will discuss on-line postcolumn derivatization. A general scheme of an HPLC system equipped with an on-line postcolumn reaction detector is given. 40 references, 6 figures, 2 tables.

  10. Anaphylactoid reactions to radiocontrast media.

    Science.gov (United States)

    Canter, Lauren M

    2005-01-01

    As the role for diagnostic and therapeutic contrast-enhanced imaging increases, review of the epidemiology, mechanisms, risk factors, and pretreatment for radiocontrast-mediated anaphylactoid reactions becomes more and more pertinent. Ongoing research has failed to elucidate the precise mechanisms of both early and late reactions, though the current data point to a multifactorial pathogenesis. The risk of reactions has decreased over time as contrast media have evolved from ionic, high-osmolality to nonionic, low-osmolality formulations; however, the expense of the low-osmolality agents limit their universal use. Today, 1-12% of patients exhibit adverse responses ranging from mild to severe, with individual risk depending on the type of contrast administered and certain baseline patient characteristics. For those high-risk patients who must receive contrast, effective pretreatment guidelines have been established. PMID:16119034

  11. Light in elementary biological reactions

    Science.gov (United States)

    Sundström, Villy

    2000-09-01

    Light plays an important role in biology. In this review we discuss several processes and systems where light triggers a biological response, i.e. photosynthesis, vision, photoreceptors. For these functions Nature has chosen simple elementary chemical reactions, which occur in highly specialized and organized structures. The high efficiency and specificity of these reactions make them interesting for applications in light energy conversion and opto-electronics. In order to emphasize the synergism in studies of natural and synthetic systems we will discuss a few of each kind, with similar functions. In all cases light triggers a rapid sequence of events, which makes ultrafast spectroscopy an ideal tool to disentangle reaction mechanisms and dynamics.

  12. Inorganic Reaction Mechanisms Part II: Homogeneous Catalysis

    Science.gov (United States)

    Cooke, D. O.

    1976-01-01

    Suggests several mechanisms for catalysis by metal ion complexes. Discusses the principal factors of importance in these catalysis reactions and suggests reactions suitable for laboratory study. (MLH)

  13. Microscopic effective reaction theory for direct nuclear reactions

    Directory of Open Access Journals (Sweden)

    Ogata Kazuyuki

    2016-01-01

    Full Text Available Some recent activities with the microscopic effective reaction theory (MERT on elastic, inelastic, breakup, transfer, and knockout processes are reviewed briefly. As a possible alternative to MERT, a description of elastic and inelastic scattering with the continuum particle-vibration coupling (cPVC method is also discussed.

  14. Vision 2020. Reaction Engineering Roadmap

    Energy Technology Data Exchange (ETDEWEB)

    Klipstein, David H. [Reaction Design, San Diego, CA (United States); Robinson, Sharon [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2001-01-01

    The Reaction Engineering Roadmap is a part of an industry- wide effort to create a blueprint of the research and technology milestones that are necessary to achieve longterm industry goals. This report documents the results of a workshop focused on the research needs, technology barriers, and priorities of the chemical industry as they relate to reaction engineering viewed first by industrial use (basic chemicals; specialty chemicals; pharmaceuticals; and polymers) and then by technology segment (reactor system selection, design, and scale-up; chemical mechanism development and property estimation; dealing with catalysis; and new, nonstandard reactor types).

  15. Interface reactions in film materials

    Institute of Scientific and Technical Information of China (English)

    Fengwu Zhu; Zhonghai Zhai; Guanghua Yu

    2003-01-01

    Interface reaction (IR) is a frequently observed phenomenon in the study of advanced thin film materials. It is very important to study the reaction conditions at which IR happens and then to suppress or make use of it, the necessary conditions, including both thermodynamical and dynamical conditions of IR were discussed in detail. IRs in various systems, including oxide/silicon,oxide/metal, metal/metal, metal/semiconductor and semiconductor/semiconductor, were reviewed. Methods to suppress and make use of IR were also introduced.

  16. Fundamentals of chemical reaction engineering

    CERN Document Server

    Davis, Mark E

    2012-01-01

    Appropriate for a one-semester undergraduate or first-year graduate course, this text introduces the quantitative treatment of chemical reaction engineering. It covers both homogeneous and heterogeneous reacting systems and examines chemical reaction engineering as well as chemical reactor engineering. The authors take a chemical approach, helping students develop an intuitive feeling for concepts, rather than an engineering approach, which tends to overlook the inner workings of systems and objects.Each chapter contains numerous worked-out problems and real-world vignettes involving commercia

  17. Reactions

    DEFF Research Database (Denmark)

    Søndergaard, Morten

    2011-01-01

    construction; and 2) As a construction of a new reactive modality of the (art) museum as ‘archive of reality' - showing the outline of a cultural institution that oscillates between the instituting and institutionalizing competences of the (art) museum - between knowledge-based and experience-based exhibiting......  My concern is to understand augmentation as an emergent modality - among many others in ‘the expanding digital field' (Søndergaard M. , Transformative Creativity in the Expanded Digital Field, 2009)' - attributed to the production of contemporary art and the ‘archive of knowledge' in the (art......) museum. Augmentation, in this expanding digital field, is part of a production of new public spaces, as well as a new reality that affects and traverses art and institutions immanently and througout. The expanding digital field is transforming art and the art museum in a number of fundamental ways, a few...

  18. Reduction of chemical reaction models

    Science.gov (United States)

    Frenklach, Michael

    1991-01-01

    An attempt is made to reconcile the different terminologies pertaining to reduction of chemical reaction models. The approaches considered include global modeling, response modeling, detailed reduction, chemical lumping, and statistical lumping. The advantages and drawbacks of each of these methods are pointed out.

  19. Multispecies reaction-diffusion systems

    OpenAIRE

    Aghamohammadi, A.; Fatollahi, A. H.; Khorrami, M.; Shariati, A.

    2000-01-01

    Multispecies reaction-diffusion systems, for which the time evolution equation of correlation functions become a closed set, are considered. A formal solution for the average densities is found. Some special interactions and the exact time dependence of the average densities in these cases are also studied. For the general case, the large time behaviour of the average densities has also been obtained.

  20. Recyclization reactions leading to benzimidazoles

    Energy Technology Data Exchange (ETDEWEB)

    Mamedov, Vakhid A; Murtazina, Anna M [A.E. Arbuzov Institute of Organic and Physical Chemistry, Kazan Scientific Centre of the Russian Academy of Sciences, Kazan (Russian Federation)

    2011-05-31

    The published data on the recyclization reactions that afford benzimidazoles are generalized and systematized. Both classical and new methods of benzimidazole synthesis are considered. Attention is focused on the publications over the recent 10-15 years; of the earlier publications, only those unknown to the wide circle of chemists are analyzed.

  1. Apparent tunneling in chemical reactions

    DEFF Research Database (Denmark)

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

    2000-01-01

    A necessary condition for tunneling in a chemical reaction is that the probability of crossing a barrier is non-zero, when the energy of the reactants is below the potential energy of the barrier. Due to the non-classical nature (i.e, momentum uncertainty) of vibrational states this is, however...

  2. Reactions of ethanol on Ru

    NARCIS (Netherlands)

    Sturm, J. M.; Lee, C. J.; F. Bijkerk,

    2013-01-01

    The adsorption and reactions of ethanol on Ru(0001) were studied with temperature-programmed desorption (TPD) and reflection-absorption infrared spectroscopy (RAIRS). Ethanol was found to adsorb intact onto Ru(0001) below 100 K. From 175 K to 200 K, ethanol is converted into ethoxy groups, which und

  3. INTERFACE REACTION IN MAGNETIC MULTILAYERS

    Institute of Scientific and Technical Information of China (English)

    G.H. Yu; M.H. Li; F.W. Zhu; X.F. Cui; J.L. Jin

    2001-01-01

    Ta/NiO/NiFe/Ta multilayers were prepared by rf reactive and dc magnetron sputter-ing. The exchange coupling field (Hex) between NiO and NiFe reached 120Oe. Thecomposition and chemical states at the interface region of NiO/NiFe were studied us-ing the x-ray photoelectron spectroscopy (XPS) and peak decomposition technique. Theresults show that there are two thermodynamically favorable reactions at NiO/NiFeinterface: NiO+Fe = Ni+FeO and 3NiO+2Fe 3Ni+Fe2 O3. The thickness of thechemical reaction as estimated by angle-resolved XPS was about 1-1.5nm. These in-terrace reaction products are magnetic defects, and we believe that the Hex and thecoereivity (He) of NiO/NiFe ave affected by these defects. Moreover, the results alsoshow that there is an "intermixing layer" at the Ta/NiO (and NiO/Ta) interface dueto a thermodynamically favorable reaction: 2Ta+5NiO=5Ni+Ta2O5. This interfacereaction has an effect on the exchange coupling as well. The thickness of the "inter-mixing layer" as estimated by XPS depth-profiles was about 8-10nm.

  4. Reactants encapsulation and Maillard Reaction

    NARCIS (Netherlands)

    Troise, A.D.; Fogliano, V.

    2013-01-01

    In the last decades many efforts have been addressed to the control of Maillard Reaction products in different foods with the aim to promote the formation of compounds having the desired color and flavor and to reduce the concentration of several potential toxic molecules. Encapsulation, already app

  5. Detecting deception through reaction times

    NARCIS (Netherlands)

    B. Verschuere; K. Suchotzki; E. Debey

    2015-01-01

    Reaction times (RTs) are among the oldest measures in psychology, and remain popular in several psychology disciplines. However, they have been largely neglected as a cue for deception, reflecting the sceptic's view that RTs fall under voluntary control and are easily manipulated. From our review of

  6. Strangeness exchange reactions and hypernuclei

    International Nuclear Information System (INIS)

    Recent progress in the spectroscopy of Λ and Σ hypernuclei is reviewed. Prospects for the production of doubly strange hypernuclei at a future kaon factory are assessed. It is suggested that the (K-,K+) reaction on a nuclear target may afford an optimal way of producing the H dibaryon, a stable six quark object with J/sup π/ = O+, S = -2

  7. Experimental Demonstrations in Teaching Chemical Reactions.

    Science.gov (United States)

    Hugerat, Muhamad; Basheer, Sobhi

    2001-01-01

    Presents demonstrations of chemical reactions by employing different features of various compounds that can be altered after a chemical change occurs. Experimental activities include para- and dia-magnetism in chemical reactions, aluminum reaction with base, reaction of acid with carbonates, use of electrochemical cells for demonstrating chemical…

  8. GREENER REACTIONS UNDER SOLVENT FREE CONDITIONS

    Directory of Open Access Journals (Sweden)

    Hiren M. Marvaniya

    2011-06-01

    Full Text Available The toxicity and volatile nature of many organic solvents, particularly chlorinated hydrocarbons that are widely used in huge amounts for organic reactions have posed a serious threat to the environment. Thus, design of solventless catalytic reaction has received tremendous attention in recent times in the area of green synthesis. A solvent-free or solid state reaction may be carried out using the reactants alone or incorporating them in clays, zeolites, silica, alumina or other matrices to achieve high degree of stereoselectivity in the products, to reduce byproducts, to maximize rate of reaction. We illustrate the environmentally benign approach to 1,2-Oxazine-2- oxides, Michael addition, Wohl–Ziegler reaction, Acylation, Heck reaction, Tishchenko reaction, Diels– Alder reaction, Reformatsky and Luche Reaction, Oxidative coupling Reaction, Synthesis of chalcones, Synthesis of Dihydropyrimidinones

  9. Thermodynamics of Enzyme-Catalyzed Reactions Database

    Science.gov (United States)

    SRD 74 Thermodynamics of Enzyme-Catalyzed Reactions Database (Web, free access)   The Thermodynamics of Enzyme-Catalyzed Reactions Database contains thermodynamic data on enzyme-catalyzed reactions that have been recently published in the Journal of Physical and Chemical Reference Data (JPCRD). For each reaction the following information is provided: the reference for the data, the reaction studied, the name of the enzyme used and its Enzyme Commission number, the method of measurement, the data and an evaluation thereof.

  10. Investigating Reaction-Driven Cracking

    Science.gov (United States)

    Kelemen, P. B.; Hirth, G.; Savage, H. M.

    2013-12-01

    Many metamorphic reactions lead to large volume changes, and potentially to reaction-driven cracking [1,2]. Large-scale hydration of mantle peridotite to produce serpentine or talc is invoked to explain the rheology of plate boundaries, the nature of earthquakes, and the seismic properties of slow-spread ocean crust and the 'mantle wedge' above subduction zones. Carbonation of peridotite may be an important sink in the global carbon cycle. Zones of 100% magnesite + quartz replacing peridotite, up to 200 m thick, formed where oceanic mantle was thrust over carbonate-bearing metasediments in Oman. Talc + carbonate is an important component of the matrix in subduction mélanges at Santa Catalina Island , California, and the Sanbagawa metamorphic belt, Japan. Engineered systems to emulate natural mineral carbonation could provide relatively inexpensive CO2 capture and storage [3]. More generally, engineered reaction-driven cracking could supplement or replace hydraulic fracture in geothermal systems, solution mining, and extraction of tight oil and gas. The controls on reaction-driven cracking are poorly understood. Hydration and carbonation reactions can be self-limiting, since they potentially reduce permeability and armor reactive surfaces [4]. Also, in some cases, hydration or carbonation may take place at constant volume. Small changes in volume due to precipitation of solid products increases stress, destabilizing solid reactants, until precipitation and dissolution rates become equal at a steady state stress [5]. In a third case, volume change due to precipitation of solid products causes brittle failure. This has been invoked on qualitative grounds to explain, e.g., complete serpentinization of mantle peridotite [6]. Below ~ 300°C, the available potential energy for hydration and carbonation of olivine could produce stresses of 100's of MPa [2], sufficient to fracture rocks to 10 km depth or more, causing brittle failure below the steady state stress required

  11. Radiation Reaction on Brownian Motions

    CERN Document Server

    Seto, Keita

    2016-01-01

    Tracking the real trajectory of a quantum particle is one of the interpretation problem and it is expressed by the Brownian (stochastic) motion suggested by E. Nelson. Especially the dynamics of a radiating electron, namely, radiation reaction which requires us to track its trajectory becomes important in the high-intensity physics by PW-class lasers at present. It has been normally treated by the Furry picture in non-linear QED, but it is difficult to draw the real trajectory of a quantum particle. For the improvement of this, I propose the representation of a stochastic particle interacting with fields and show the way to describe radiation reaction on its Brownian motion.

  12. Programmability of Chemical Reaction Networks

    Science.gov (United States)

    Cook, Matthew; Soloveichik, David; Winfree, Erik; Bruck, Jehoshua

    Motivated by the intriguing complexity of biochemical circuitry within individual cells we study Stochastic Chemical Reaction Networks (SCRNs), a formal model that considers a set of chemical reactions acting on a finite number of molecules in a well-stirred solution according to standard chemical kinetics equations. SCRNs have been widely used for describing naturally occurring (bio)chemical systems, and with the advent of synthetic biology they become a promising language for the design of artificial biochemical circuits. Our interest here is the computational power of SCRNs and how they relate to more conventional models of computation. We survey known connections and give new connections between SCRNs and Boolean Logic Circuits, Vector Addition Systems, Petri nets, Gate Implementability, Primitive Recursive Functions, Register Machines, Fractran, and Turing Machines. A theme to these investigations is the thin line between decidable and undecidable questions about SCRN behavior.

  13. Nuclear Reactions from Lattice QCD

    CERN Document Server

    Briceño, Raúl A; Luu, Thomas C

    2014-01-01

    One of the overarching goals of nuclear physics is to rigorously compute properties of hadronic systems directly from the fundamental theory of strong interactions, Quantum Chromodynamics (QCD). In particular, the hope is to perform reliable calculations of nuclear reactions which will impact our understanding of environments that occur during big bang nucleosynthesis, the evolution of stars and supernovae, and within nuclear reactors and high energy/density facilities. Such calculations, being truly ab initio, would include all two-nucleon and three- nucleon (and higher) interactions in a consistent manner. Currently, lattice QCD provides the only reliable option for performing calculations of some of the low- energy hadronic observables. With the aim of bridging the gap between lattice QCD and nuclear many-body physics, the Institute for Nuclear Theory held a workshop on Nuclear Reactions from Lattice QCD on March 2013. In this review article, we report on the topics discussed in this workshop and the path ...

  14. Tuberculin reaction and BCG scar

    DEFF Research Database (Denmark)

    Timmermann, Clara Amalie Gade; Biering-Sørensen, Sofie; Aaby, Peter;

    2015-01-01

    rate ratio (MRR) comparing children with a BCG scar with those without was 0.42 (95% CI = 0.19; 0.93). There was a similar tendency for TST positivity: MRR = 0.47 (95% CI = 0.14; 1.54). For LBW children who had both a positive TST reaction and a scar, the MRR was 0.22 (95% CI = 0.05; 0.87). For NBW...

  15. Cellular reactions to patterned biointerfaces

    OpenAIRE

    Schulte, Vera Antonie

    2012-01-01

    The subject of this thesis is to study cellular reactions to topographically, mechanically and biochemically tunable polymeric biomaterials. Different aspects of in vitro cell-biomaterial interactions were systematically studied with the murine fibroblast cell line NIH L929 and primary human dermal fibroblasts (HDFs). Besides a general cytocompatibility assessment of the applied materials and the quantification of cell adhesion per se, cell morphological changes (e.g. cell spreading) and intr...

  16. Hydrogen tunneling in enzyme reactions

    Energy Technology Data Exchange (ETDEWEB)

    Cha, Y.; Murray, C.J.; Klinman, J.P.

    1989-03-10

    Primary and secondary protium-to-tritium (H/T) and deuterium-to-tritium (D/T) kinetic isotope effects for the catalytic oxidation of benzyl alcohol to benzaldehyde by yeast alcohol dehydrogenase (YADH) at 25 degrees Celsius have been determined. Previous studies showed that this reaction is nearly or fully rate limited by the hydrogen-transfer step. Semiclassical mass considerations that do not include tunneling effects would predict that kH/kT = (kD/kT)3.26, where kH, kD, and kT are the rate constants for the reaction of protium, deuterium, and tritium derivatives, respectively. Significant deviations from this relation have now been observed for both primary and especially secondary effects, such that experimental H/T ratios are much greater than those calculated from the above expression. These deviations also hold in the temperature range from 0 to 40 degrees Celsius. Such deviations were previously predicted to result from a reaction coordinate containing a significant contribution from hydrogen tunneling.

  17. Hydrogen Tunneling in Enzyme Reactions

    Science.gov (United States)

    Cha, Yuan; Murray, Christopher J.; Klinman, Judith P.

    1989-03-01

    Primary and secondary protium-to-tritium (H/T) and deuterium-to-tritium (D/T) kinetic isotope effects for the catalytic oxidation of benzyl alcohol to benzaldehyde by yeast alcohol dehydrogenase (YADH) at 25 degrees Celsius have been determined. Previous studies showed that this reaction is nearly or fully rate limited by the hydrogen-transfer step. Semiclassical mass considerations that do not include tunneling effects would predict that kH/kT = (kD/kT)3.26, where kH, kD, and kT are the rate constants for the reaction of protium, deuterium, and tritium derivatives, respectively. Significant deviations from this relation have now been observed for both primary and especially secondary effects, such that experimental H/T ratios are much greater than those calculated from the above expression. These deviations also hold in the temperature range from 0 to 40 degrees Celsius. Such deviations were previously predicted to result from a reaction coordinate containing a significant contribution from hydrogen tunneling.

  18. Kinetics of nitroxyl radical reactions

    International Nuclear Information System (INIS)

    Absolute rate-constants for the reaction of the nitroxyl free radicals TAN and TMPN with radiation-chemically-formed radicals and ions have been determined. k(TAN + X) (in M-1 sec-1) = 4.0 x 109 (for X =OH), 2.9 x 1010(esub(aq)-), 8.0 x 109 (H), 7.2 x 108 (CH2OH), 4.0 x 108 (CH3CHOH), 4.3 x 108 ((CH3)2COH), 2.8 x 108 (CH2(CH3)2COH), 5.9 x 107 (glucose radical), 4.0 x 108 (c-C5H9), and k(TMPN + X) = 3.4 x 109 (OH), 7.8 x 109 (esub(aq)-), 4.9 x 109 (H), 4.4 x 108 (CH2OH), 4.9 x 108 (CH3CHOH), 3.6 x 108 ((CH3)2COH), 1.5 x 108 (CH2(CH3)2COH), 4.9 x 107 (glucose radical), 4.3 x 108 (c-C5H9). Direct measurements by means of a pulse-radiolysis conductivity technique were based on the formation and destruction of charged species in these reactions within certain pH ranges. It is indicated that the radiosensitizing nitroxyles undergo both redox and addition reactions. (author)

  19. Reaction Selectivity in Heterogeneous Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Somorjai, Gabor A.; Kliewer, Christopher J.

    2009-02-02

    The understanding of selectivity in heterogeneous catalysis is of paramount importance to our society today. In this review we outline the current state of the art in research on selectivity in heterogeneous catalysis. Current in-situ surface science techniques have revealed several important features of catalytic selectivity. Sum frequency generation vibrational spectroscopy has shown us the importance of understanding the reaction intermediates and mechanism of a heterogeneous reaction, and can readily yield information as to the effect of temperature, pressure, catalyst geometry, surface promoters, and catalyst composition on the reaction mechanism. DFT calculations are quickly approaching the ability to assist in the interpretation of observed surface spectra, thereby making surface spectroscopy an even more powerful tool. HP-STM has revealed three vitally important parameters in heterogeneous selectivity: adsorbate mobility, catalyst mobility, and selective site-blocking. The development of size controlled nanoparticles from 0.8 to 10 nm, of controlled shape, and of controlled bimetallic composition has revealed several important variables for catalytic selectivity. Lastly, DFT calculations may be paving the way to guiding the composition choice for multi-metallic heterogeneous catalysis for the intelligent design of catalysts incorporating the many factors of selectivity we have learned.

  20. Reaction Kinetics of Nanostructured Silicon Carbide

    Science.gov (United States)

    Wallis, Kendra; Zerda, T. W.

    2006-10-01

    Nanostructured silicon carbide (SiC) is of interest particularly for use in nanocomposites that demonstrate high hardness as well as for use in semiconductor applications. Reaction kinetics studies of solid-solid reactions are relatively recent and present a method of determining the reaction mechanism and activation energy by measuring reaction rates. We have used induction heating to heat quickly, thus reducing the error in reaction time measurements. Data will be presented for reactions using silicon nanopowder (melting point of silicon. Using the well-known Avrami-Erofeev model, a two-parameter chi- square fit of the data provided a rate constant (k) and parameter (n), related to the reaction mechanism, for each temperature. From these data, an activation energy of 138 kJ/mol was calculated. In addition, the parameter n suggests the reaction mechanism, which will also be discussed. Experiments are continuing at higher temperatures to consider the liquid- solid reaction as well.

  1. Modelling Chemical Reasoning to Predict Reactions

    CERN Document Server

    Segler, Marwin H S

    2016-01-01

    The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations. Here, we propose a model which mimics chemical reasoning and formalises reaction prediction as finding missing links in a knowledge graph. We have constructed a knowledge graph containing 14.4 million molecules and 8.2 million binary reactions, which represents the bulk of all chemical reactions ever published in the scientific literature. Our model outperforms a rule-based expert system in the reaction prediction task for 180,000 randomly selected binary reactions. We show that our data-driven model generalises even beyond known reaction types, and is thus capable of effectively (re-) discovering novel transformations (even including transition-metal catalysed reactions). Our model enables computers to infer hypotheses about reactivity and reactions by only considering the intrinsic local structure of the graph, and because each single reaction prediction is typically ac...

  2. Non-Markovian polymer reaction kinetics

    CERN Document Server

    Guérin, Thomas; Voituriez, Raphaël; 10.1038/NCHEM.1378

    2012-01-01

    Describing the kinetics of polymer reactions, such as the formation of loops and hairpins in nucleic acids or polypeptides, is complicated by the structural dynamics of their chains. Although both intramolecular reactions, such as cyclization, and intermolecular reactions have been studied extensively, both experimentally and theoretically, there is to date no exact explicit analytical treatment of transport-limited polymer reaction kinetics, even in the case of the simplest (Rouse) model of monomers connected by linear springs. We introduce a new analytical approach to calculate the mean reaction time of polymer reactions that encompasses the non-Markovian dynamics of monomer motion. This requires that the conformational statistics of the polymer at the very instant of reaction be determined, which provides, as a by-product, new information on the reaction path. We show that the typical reactive conformation of the polymer is more extended than the equilibrium conformation, which leads to reaction times sign...

  3. Reaction path synthesis methodology for waste minimization

    Institute of Scientific and Technical Information of China (English)

    HU; Shanying; LI; Mingheng; LI; Yourun; SHEN; Jingzhu; LIU

    2004-01-01

    It is a key step for reducing waste generation in chemical processes to design optimal reaction paths. In this paper, methods of waste minimization for reaction path synthesis problems are proposed to realize eco-industrial production mode with minimum waste emission. A new conception of simple stoichiometric reaction is presented for reaction path synthesis problem. All simple stoichiometric reactions can be obtained by mathematical transformation for atom matrix of a reaction system. Based on the conception, a two-tier optimization method for complex reaction path synthesis problems is addressed. The first step is to determine the economic optimal overall reactions, and the second step to decompose each overall reaction into several sub-reactions and find out the best thermodynamic feasible reaction path. Further, a method of reaction path synthesis with waste closed-cycle is proposed based on simple stoichiometric reactions for achieving zero waste emission to poly-generation problem of multi-products. Case studies show that the proposed methods can efficiently solve practical reaction path synthesis problems.

  4. Chemical reactions in solvents and melts

    CERN Document Server

    Charlot, G

    1969-01-01

    Chemical Reactions in Solvents and Melts discusses the use of organic and inorganic compounds as well as of melts as solvents. This book examines the applications in organic and inorganic chemistry as well as in electrochemistry. Organized into two parts encompassing 15 chapters, this book begins with an overview of the general properties and the different types of reactions, including acid-base reactions, complex formation reactions, and oxidation-reduction reactions. This text then describes the properties of inert and active solvents. Other chapters consider the proton transfer reactions in

  5. Metal-catalyzed asymmetric aldol reactions

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Luiz C.; Lucca Junior, Emilio C. de; Ferreira, Marco A. B.; Polo, Ellen C., E-mail: ldias@iqm.unicamp.br [Universidade de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica

    2012-12-15

    The aldol reaction is one of the most powerful and versatile methods for the construction of C-C bonds. Traditionally, this reaction was developed in a stoichiometric version; however, great efforts in the development of chiral catalysts for aldol reactions were performed in recent years. Thus, in this review article, the development of metal-mediated chiral catalysts in Mukaiyama-type aldol reaction, reductive aldol reaction and direct aldol reaction are discussed. Moreover, the application of these catalysts in the total synthesis of complex molecules is discussed. (author)

  6. Reaction cross-section predictions for nucleon induced reactions

    CERN Document Server

    Nobre, G P A; Escher, J E; Dietrich, F S

    2010-01-01

    A microscopic calculation of the optical potential for nucleon-nucleus scattering has been performed by explicitly coupling the elastic channel to all the particle-hole (p-h) excitation states in the target and to all relevant pickup channels. These p-h states may be regarded as doorway states through which the flux flows to more complicated configurations, and to long-lived compound nucleus resonances. We calculated the reaction cross sections for the nucleon induced reactions on the targets $^{40,48}$Ca, $^{58}$Ni, $^{90}$Zr and $^{144}$Sm using the QRPA description of target excitations, coupling to all inelastic open channels, and coupling to all transfer channels corresponding to the formation of a deuteron. The results of such calculations were compared to predictions of a well-established optical potential and with experimental data, reaching very good agreement. The inclusion of couplings to pickup channels were an important contribution to the absorption. For the first time, calculations of excitatio...

  7. Effect of Pozzolanic Reaction Products on Alkali-silica Reaction

    Institute of Scientific and Technical Information of China (English)

    WEI Fengyan; LAN Xianghui; LV Yinong; XU Zhongzi

    2006-01-01

    The effect of fly ash on controlling alkali-silica reaction (ASR) in simulated alkali solution was studied. The expansion of mortar bars and the content of Ca(OH)2 in cement paste cured at 80 ℃ for 91 d were measured. Transmission electron microscopy (TEM) and high-resolution transmission electron microscopy (HRTEM) were employed to study the microstructure of C-S-H. TEM/energy dispersive spectroscopy (EDS) was then used to determine the composition of C-S-H. The pore structure of the paste was analyzed by mercury intrusion porosimetry (MIP). The results show that the contents of fly ash of 30% and 45% can well inhibit ASR. And the content of Ca(OH)2 decreases with the increase of fly ash. That fly ash reacted with Ca(OH)2 to produce C-S-H with a low Ca/Si molar ratio could bind more Na+ and K+ ions, and produce a reduction in the amount of soluble alkali available for ASR. At the same time, the C-S-H produced by pozzolanic reaction converted large pores to smaller ones (gel pores smaller than 10 nm) to densify the pore structure. Perhaps that could inhibit alkali transport to aggregate for ASR.

  8. Fragmentation processes in nuclear reactions

    International Nuclear Information System (INIS)

    Fragmentation processes in nuclear collisions are reviewed. The main emphasis is put on light ion breakup at nonrelativistic energies. The post- and prior-form DWBA theories are discussed. The post-form DWBA, appropriate for the ''spectator breakup'' describes elastic as well as inelastic breakup modes. This theory can also account for the stripping to unbound states. The theoretical models are compared to typical experimental results to illustrate the various possible mechanisms. It is discussed, how breakup reactions can be used to study high-lying single particle strength in the continuum; how it can yield information about momentum distributions of fragments in the nucleus. (orig.)

  9. Forgiveness, retaliation and paranoid reactions.

    Science.gov (United States)

    Hunter, R C

    1978-04-01

    It has been suggested that clinical states from grudgingness and habitual bitterness through to delusions of persecution are best resolved by forgiving. The process of forgiving requires that previously unacknowledged impulses, particularly aggressive ones, are accepted in oneself and others. If the therapist is aware of this, he can, in the transference, reinforce the patient's good introjects by providing a non-judgemental, acceptant model for the patient and thereby facilitate the adoption of the forgiving attitude. Sometimes habitual forgiving can occur as a reaction formation, and should be dealt with as such.

  10. Quantum control in nuclear reaction

    International Nuclear Information System (INIS)

    A frontier field beyond atom and molecular control will be concentrated on the controlling of nuclei. Both theoretical design and laboratory experiments extremely need to be developed with the great progress of quantum physics and laser technology. This work is to focus on the computational approach to achieve the quantum control in nuclear reaction with a stable semi-discrete numerical paradigm in high dimensions. A reasonable physical model is established by multi-Klein–Gordon Schroedinger dynamics. Demonstrative experiments would provide the confident guidance to control quantum system at nuclei scale in real laboratory. (author)

  11. Chemical reactions at aqueous interfaces

    Science.gov (United States)

    Vecitis, Chad David

    2009-12-01

    Interfaces or phase boundaries are a unique chemical environment relative to individual gas, liquid, or solid phases. Interfacial reaction mechanisms and kinetics are often at variance with homogeneous chemistry due to mass transfer, molecular orientation, and catalytic effects. Aqueous interfaces are a common subject of environmental science and engineering research, and three environmentally relevant aqueous interfaces are investigated in this thesis: 1) fluorochemical sonochemistry (bubble-water), 2) aqueous aerosol ozonation (gas-water droplet), and 3) electrolytic hydrogen production and simultaneous organic oxidation (water-metal/semiconductor). Direct interfacial analysis under environmentally relevant conditions is difficult, since most surface-specific techniques require relatively `extreme' conditions. Thus, the experimental investigations here focus on the development of chemical reactors and analytical techniques for the completion of time/concentration-dependent measurements of reactants and their products. Kinetic modeling, estimations, and/or correlations were used to extract information on interfacially relevant processes. We found that interfacial chemistry was determined to be the rate-limiting step to a subsequent series of relatively fast homogeneous reactions, for example: 1) Pyrolytic cleavage of the ionic headgroup of perfluorooctanesulfonate (PFOS) and perfluorooctanoate (PFOA) adsorbed to cavitating bubble-water interfaces during sonolysis was the rate-determining step in transformation to their inorganic constituents carbon monoxide, carbon dioxide, and fluoride; 2) ozone oxidation of aqueous iodide to hypoiodous acid at the aerosol-gas interface is the rate-determining step in the oxidation of bromide and chloride to dihalogens; 3) Electrolytic oxidation of anodic titanol surface groups is rate-limiting for the overall oxidation of organics by the dichloride radical. We also found chemistry unique to the interface, for example: 1

  12. Kinetics of heterogeneous catalytic reactions

    CERN Document Server

    Boudart, Michel

    2014-01-01

    This book is a critical account of the principles of the kinetics of heterogeneous catalytic reactions in the light of recent developments in surface science and catalysis science. Originally published in 1984. The Princeton Legacy Library uses the latest print-on-demand technology to again make available previously out-of-print books from the distinguished backlist of Princeton University Press. These paperback editions preserve the original texts of these important books while presenting them in durable paperback editions. The goal of the Princeton Legacy Library is to vastly increase acc

  13. Control Electronics For Reaction Wheel

    Science.gov (United States)

    Chamberlin, Keith

    1995-01-01

    Bidirectional operation achieved with single-polarity main power supply. Control circuitry generates pulse-width-modulated 800-Hz waveforms to drive two-phase ac motor and reaction wheel. Operates partly in response to digital magnitude-and-direction torque command generated by external control subsystem and partly in response to tachometric feedback in form of two once-per-revolution sinusoids with amplitudes proportional to speed. Operation in either of two modes called "normal" and "safehold." In normal mode, drive pulses timed so that, on average over one or few cycles, motor applies commanded torque. In safehold mode, pulses timed to keep motor running at set speed in one direction.

  14. Photo nuclear reactions by QMD

    Energy Technology Data Exchange (ETDEWEB)

    Maruyama, Tomoyuki; Niita, Koji; Chiba, Satoshi; Maruyama, Toshiki; Iwamoto, Akira [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1997-05-01

    QMD (Quantum Molecular Dynamics) was applied to photo nuclear reaction. Advantages of QMD were explained. The cross section of (Cr, pX) at 375 MeV/c was simulated. The results showed three peaks, the peak in the lowest momentum indicated contribution of statistics decay and the middle one, the largest peak, was contribution of quasi-free process (QF) which consisted of two-step process. Then, the total cross section of {pi} photoproduction for three target nuclei (C, Al and Cu) was simulated by QMD. The obtained values were larger than the experimental values, so that the present QMD calculation showed small {pi} adsorption. (S.Y.)

  15. Competing reaction channels in IR-laser-induced unimolecular reactions

    Energy Technology Data Exchange (ETDEWEB)

    Berman, M.R.

    1981-01-01

    The competing reaction channels in the unimolecular decomposition of two molecules, formaldehyde and tetralin were studied. A TEA CO/sub 2/ laser was used as the excitation source in all experiments. The dissociation of D/sub 2/CO was studied by infrared multiphoton dissociation (MPD) and the small-molecule nature of formaldehyde with regard to MPD was explored. The effect of collisions in MPD were probed by the pressure dependence of the MPD yield and ir fluorescence from multiphoton excited D/sub 2/CO. MPD yield shows a near cubic dependence in pure D/sub 2/CO which is reduced to a 1.7 power dependence when 15 torr of NO is added. The peak amplitude of 5 ..mu..m ir fluorescence from D/sub 2/CO is proportional to the square of the D/sub 2/CO pressure in pure D/sub 2/CO or in the presence of 50 torr of Ar. Results are explained in terms of bottlenecks to excitation at the v = 1 level which are overcome by a combination of vibrational energy transfer and rotational relaxation. The radical/molecule branching ratio in D/sub 2/CO MPD was 0.10 +- 0.02 at a fluence of 125 J/cm/sup 2/ at 946.0 cm/sup -1/. The barrier height to molecular dissociation was calculated to be 3.6 +- 2.0 kcal/mole below the radical threshold or 85.0 +- 3.0 kcal/mole above the ground state of D/sub 2/CO. In H/sub 2/CO, this corresponds to 2.5 +- 2.0 kcal/mole below the radical threshold or 83.8 +- 3.0 kcal/mole above the ground state. Comparison with uv data indicate that RRKM theory is an acceptable description of formaldehyde dissociation in the 5 to 10 torr pressure range. The unimolecular decomposition of tetralin was studied by MPD and SiF/sub 4/ - sensitized pyrolysis. Both techniques induce decomposition without the interference of catalytic surfaces. Ethylene loss is identified as the lowest energy reaction channel. Dehydrogenation is found to result from step-wise H atom loss. Isomerization via disproportionation is also identified as a primary reaction channel.

  16. Competing reaction channels in IR-laser-induced unimolecular reactions

    International Nuclear Information System (INIS)

    The competing reaction channels in the unimolecular decomposition of two molecules, formaldehyde and tetralin were studied. A TEA CO2 laser was used as the excitation source in all experiments. The dissociation of D2CO was studied by infrared multiphoton dissociation (MPD) and the small-molecule nature of formaldehyde with regard to MPD was explored. The effect of collisions in MPD were probed by the pressure dependence of the MPD yield and ir fluorescence from multiphoton excited D2CO. MPD yield shows a near cubic dependence in pure D2CO which is reduced to a 1.7 power dependence when 15 torr of NO is added. The peak amplitude of 5 μm ir fluorescence from D2CO is proportional to the square of the D2CO pressure in pure D2CO or in the presence of 50 torr of Ar. Results are explained in terms of bottlenecks to excitation at the v = 1 level which are overcome by a combination of vibrational energy transfer and rotational relaxation. The radical/molecule branching ratio in D2CO MPD was 0.10 +- 0.02 at a fluence of 125 J/cm2 at 946.0 cm-1. The barrier height to molecular dissociation was calculated to be 3.6 +- 2.0 kcal/mole below the radical threshold or 85.0 +- 3.0 kcal/mole above the ground state of D2CO. In H2CO, this corresponds to 2.5 +- 2.0 kcal/mole below the radical threshold or 83.8 +- 3.0 kcal/mole above the ground state. Comparison with uv data indicate that RRKM theory is an acceptable description of formaldehyde dissociation in the 5 to 10 torr pressure range. The unimolecular decomposition of tetralin was studied by MPD and SiF4 - sensitized pyrolysis. Both techniques induce decomposition without the interference of catalytic surfaces. Ethylene loss is identified as the lowest energy reaction channel. Dehydrogenation is found to result from step-wise H atom loss. Isomerization via disproportionation is also identified as a primary reaction channel

  17. Heavy atom isotope effects on enzymatic reactions

    Science.gov (United States)

    Paneth, Piotr

    1994-05-01

    The theory of isotope effects, which has proved to be extremely useful in providing geometrical details of transition states in a variety of chemical reactions, has recently found an application in studies of enzyme-catalyzed reactions. These reactions are multistep in nature with few steps being partially rate-limiting, thus interpretation of these isotope effects is more complex. The theoretical framework of heavy-atom isotope effects on enzymatic reactions is critically analyzed on the basis of recent results of: carbon kinetic isotope effects on carbonic anhydrase and catalytic antibodies; multiple carbon, deuterium isotope effects on reactions catalyzed by formate decarboxylase; oxygen isotope effects on binding processes in reactions catalyzed by pyruvate kinase; and equilibrium oxygen isotope effect on binding an inhibitor to lactate dehydrogenase. The advantages and disadvantages of reaction complexity in learning details of formal and molecular mechanisms are discussed in the examples of reactions catalyzed by phosphoenolpyruvate carboxylase, orotidine decarboxylase and glutamine synthetase.

  18. Effective radii of deuteron induced reactions

    CERN Document Server

    Hashimoto, Shintaro; Ogata, Kazuyuki; Minomo, Kosho; Chiba, Satoshi

    2011-01-01

    The continuum-discretized coupled-channels method (CDCC) for exclusive reactions and the eikonal reaction theory (ERT) as an extension of CDCC to inclusive reactions are applied to deuteron induced reactions. The CDCC result reproduces experimental data on the reaction cross section for $d+^{58}$Ni scattering at 200 MeV/nucleon and ERT does data on the neutron-stripping cross section for inclusive $^7$Li$(d,n)$ reaction at 40 MeV. For deuteron induced reactions at 200 MeV/nucleon, target-dependence of the reaction, elastic-breakup, nucleon-stripping, nucleon-removal, complete- and incomplete-fusion cross sections is clearly explained by simple formulae. Accuracy of the Glauber model is also investigated.

  19. Precautions and Adverse Reactions during Blood Transfusion

    Science.gov (United States)

    ... fever and need another transfusion may be given acetaminophen before the next transfusion. Allergic reactions Symptoms of an allergic reaction include itching, a widespread rash, swelling, dizziness, and headache. Less common symptoms are breathing difficulties, ...

  20. Reaction Wheel with Embedded MEMS IMU Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The innovation is to embed a MEMS IMU Sensor Chip into a reaction wheel to measure its spin rate as well as wheel attitude rate. We propose to use a reaction wheel...

  1. Catalytic Hydrogenation Reaction of Naringin-Chalcone. Study of the Electrochemical Reaction

    OpenAIRE

    B. A. López de Mishima; H. T. Mishima; A. N. Giannuzzo; M. A. Nazareno

    2000-01-01

    The electrocatalytic hydrogenation reaction of naringin derivated chalcone is studied. The reaction is carried out with different catalysts in order to compare with the classic catalytic hydrogenation.

  2. Nuclear reactions from lattice QCD

    Science.gov (United States)

    Briceño, Raúl A.; Davoudi, Zohreh; Luu, Thomas C.

    2015-02-01

    One of the overarching goals of nuclear physics is to rigorously compute properties of hadronic systems directly from the fundamental theory of strong interactions, quantum chromodynamics (QCD). In particular, the hope is to perform reliable calculations of nuclear reactions which will impact our understanding of environments that occur during big bang nucleosynthesis, the evolution of stars and supernovae, and within nuclear reactors and high energy/density facilities. Such calculations, being truly ab initio, would include all two-nucleon and three-nucleon (and higher) interactions in a consistent manner. Currently, lattice quantum chromodynamics (LQCD) provides the only reliable option for performing calculations of some of the low-energy hadronic observables. With the aim of bridging the gap between LQCD and nuclear many-body physics, the Institute for Nuclear Theory held a workshop on Nuclear Reactions from LQCD on March 2013. In this review article, we report on the topics discussed in this workshop and the path planned to move forward in the upcoming years.

  3. Contact-Allergic Reactions to Cosmetics

    OpenAIRE

    An Goossens

    2011-01-01

    Contact-allergic reactions to cosmetics may be delayed-type reactions such as allergic and photo-allergic contact dermatitis, and more exceptionally also immediate-type reactions, that is, contact urticaria. Fragrances and preservative agents are the most important contact allergens, but reactions also occur to category-specific products such as hair dyes and other hair-care products, nail cosmetics, sunscreens, as well as to antioxidants, vehicles, emulsifiers, and, in fact, any possible cos...

  4. Indirect techniques for astrophysical reaction rates determinations

    Science.gov (United States)

    Hammache, F.; Oulebsir, N.; Benamara, S.; De Séréville, N.; Coc, A.; Laird, A.; Stefan, I.; Roussel, P.

    2016-05-01

    Direct measurements of nuclear reactions of astrophysical interest can be challenging. Alternative experimental techniques such as transfer reactions and inelastic scattering reactions offer the possibility to study these reactions by using stable beams. In this context, I will present recent results that were obtained in Orsay using indirect techniques. The examples will concern various astrophysical sites, from the Big-Bang nucleo synthesis to the production of radioisotopes in massive stars.

  5. Nuclear reaction rates and the primordial nucleosynthesis

    OpenAIRE

    Mishra, Abhishek; Basu, D. N.

    2011-01-01

    The theoretical predictions of the primordial abundances of elements in the big-bang nucleosynthesis (BBN) are dominated by uncertainties in the input nuclear reaction rates. We investigate the effect of modifying these reaction rates on light element abundance yields in BBN by replacing the thirty-five reaction rates out of the existing eighty-eight. We have studied these yields as functions of evolution time or temperature. We find that using these new reaction rates results in only a littl...

  6. The Rate Laws for Reversible Reactions.

    Science.gov (United States)

    King, Edward L.

    1986-01-01

    Provides background information for teachers on the rate laws for reversible reactions. Indicates that although prediction of the form of the rate law for a reverse reaction given the rate law for the forward reaction is not certain, the number of possibilities is limited because of relationships described. (JN)

  7. Reaction-Map of Organic Chemistry

    Science.gov (United States)

    Murov, Steven

    2007-01-01

    The Reaction-Map of Organic Chemistry lists all the most commonly studied reactions in organic chemistry on one page. The discussed Reaction-Map will act as another learning aide for the students, making the study of organic chemistry much easier.

  8. An Iodine Fluorescence Quenching Clock Reaction

    Science.gov (United States)

    Weinberg, Richard B.; Muyskens, Mark

    2007-01-01

    Clock reactions based upon competing oxidation and reduction reactions of iodine and starch as the most popular type of chemistry example is presented to illustrate the redox phenomena, reaction kinetics, and principles of chemical titration. The examination of the photophysical principles underlying the iodine fluorescence quenching clock…

  9. Chapter 19 (Part 3): Enolate Reactions

    OpenAIRE

    Christiansen, Mike A

    2012-01-01

    In this video I'll continue teaching you about various reactions (with mechanisms) that we can do using carbonyl compounds, due to the acidities of their alpha-hydrogens. These reactions include the aldol reaction, the Claisen condensation, the Robinson annulation, acid-catalyzed decarboxylation, and the malonic ester synthesis. --Dr. Mike Christiansen from Utah State University

  10. Emotional and Behavioral Reaction to Intrusive Thoughts

    Science.gov (United States)

    Berry, Lisa-Marie; May, Jon; Andrade, Jackie; Kavanagh, David

    2010-01-01

    A self-report measure of the emotional and behavioral reactions to intrusive thoughts was developed. The article presents data that confirm the stability, reliability, and validity of the new seven-item measure. Emotional and behavioral reactions to intrusions emerged as separate factors on the Emotional and Behavioral Reactions to Intrusions…

  11. Direct mechanism in solar nuclear reactions

    OpenAIRE

    Oberhummer, H; Staudt, G.

    1994-01-01

    A short overview of the direct reaction mechanism and the models used for the analysis of such processes is given. Nuclear reactions proceeding through the direct mechanism and involved in solar hydrogen burning are discussed. The significance of these nuclear reactions with respect to the solar neutrino problem is investigated.

  12. Reaction Order Ambiguity in Integrated Rate Plots

    Science.gov (United States)

    Lee, Joe

    2008-01-01

    Integrated rate plots are frequently used in reaction kinetics to determine orders of reactions. It is often emphasised, when using this methodology in practice, that it is necessary to monitor the reaction to a substantial fraction of completion for these plots to yield unambiguous orders. The present article gives a theoretical and statistical…

  13. Incidents of chemical reactions in cell equipment

    Energy Technology Data Exchange (ETDEWEB)

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

    1991-12-31

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

  14. Charged particle reaction cross sections and nucleosynthesis

    International Nuclear Information System (INIS)

    The role of proton and α-particle induced reactions in carbon, neon, oxygen and silicon burning in massive stars is surveyed. The problems associated with determining thermonuclear reaction rates for reactions with widely spaced resonances and with closely spaced or overlapping resonances are discussed and the associated experimental approaches are reviewed. Experimental techniques which have been used in the measurement of reaction cross sections are discussed and their strengths and weaknesses are identified. Recent developments in attempts to establish reliable statistical-model codes for calculation of reaction cross sections are presented and discussed. The results of experimental tests of statistical model codes are summarised and evaluated

  15. 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.

  16. Electromagnetic effects on explosive reaction and plasma

    Energy Technology Data Exchange (ETDEWEB)

    Tasker, Douglas G [Los Alamos National Laboratory; Whitley, Von H [Los Alamos National Laboratory; Mace, Jonathan L [Los Alamos National Laboratory; Pemberton, Steven J [Los Alamos National Laboratory; Sandoval, Thomas D [Los Alamos National Laboratory; Lee, Richard J [INDIAN HEAD DIVISION

    2010-01-01

    A number of studies have reported that electric fields can have quantifiable effects on the initiation and growth of detonation, yet the mechanisms of these effects are not clear. Candidates include Joule heating of the reaction zone, perturbations to the activation energy for chemical reaction, reduction of the Peierls energy barrier that facilitates dislocation motion, and acceleration of plasma projected from the reaction zone. In this study the possible role of plasma in the initiation and growth of explosive reaction is investigated. The effects of magnetic and electric field effects on reaction growth will be reviewed and recent experiments reported.

  17. Limits for Stochastic Reaction Networks

    DEFF Research Database (Denmark)

    Cappelletti, Daniele

    of reactions. Let the rates of degradation of the intermediate species be functions of a parameter N that tends to innity. We consider a reduced system where the intermediate species have been eliminated, and nd conditions on the degradation rate of the intermediates such that the behaviour of the reduced...... network tends to that of the original one. In particular, we prove a uniform punctual convergence in distribution and weak convergence of the integrals of continuous functions along the paths of the two models. Under some extra conditions, we also prove weak convergence of the two processes. The result....... Such species, in the deterministic modelling regime, assume always the same value at any positive steady state. In the stochastic setting, we prove that, if the initial condition is a point in the basin of attraction of a positive steady state of the corresponding deterministic model and tends to innity...

  18. Radiation reaction of multipole moments

    Science.gov (United States)

    Kazinski, P. O.

    2007-08-01

    A Poincaré-invariant description is proposed for the effective dynamics of a localized system of charged particles in classical electrodynamics in terms of the intrinsic multipole moments of the system. A relativistic-invariant definition for the intrinsic multipole moments of a system of charged particles is given. A new generally covariant action functional for a relativistic perfect fluid is proposed. In the case of relativistic charged dust, it is proven that the description of the problem of radiation reaction of multipole moments by the model of particles is equivalent to the description of this problem by a hydrodynamic model. An effective model is obtained for a pointlike neutral system of charged particles that possesses an intrinsic dipole moment, and the free dynamics of this system is described. The bound momentum of a point dipole is found.

  19. Radiation reaction for multipole moments

    CERN Document Server

    Kazinski, P O

    2006-01-01

    We propose a Poincare-invariant description for the effective dynamics of systems of charged particles by means of intrinsic multipole moments. To achieve this goal we study the effective dynamics of such systems within two frameworks -- the particle itself and hydrodynamical one. We give a relativistic-invariant definition for the intrinsic multipole moments both pointlike and extended relativistic objects. Within the hydrodynamical framework we suggest a covariant action functional for a perfect fluid with pressure. In the case of a relativistic charged dust we prove the equivalence of the particle approach to the hydrodynamical one to the problem of radiation reaction for multipoles. As the particular example of a general procedure we obtain the effective model for a neutral system of charged particles with dipole moment.

  20. [Paranoid syndrome, paranoid reaction, paranoia].

    Science.gov (United States)

    Pavlovský, P

    2006-01-01

    The term paranoid is derived from the Greek word paranoia meaning nadnese. It does not only mean self-reference, but there are various personality features as they are hostility, a tendency towards aggressiveness, irritability, a lack of sense of humour, feelings of overestimation of one-self and a tendency towards accusations. These features may appear also within normal psychology and they becomeclinically important after thein increase of intensity and conspicuousness (los sof hearing, long-term abuse of alcohol and psychostimulants) and organic disorders of the brain may contribute to the development of paranoidity. A mechanism of projection is considered as a decivise factor from the point of view of dynamic psychiatry. Clinically unimportant sign sof paranoidity can be observed due to unusual situations. If a paranoid reaction becomes more serious, formation of a paranoid delusion should be taken to account. In our koncept the term paranoid and paranoidity should be used only as a psychopathological term.

  1. Selected aspects of fusion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Lacroix, D

    2003-01-01

    In this lecture, we present selected aspects of nuclear fusion. The importance of the initial geometry of the reaction and its relation to fusion barrier are first discussed. The effect of deformation leading to the notion of barrier distribution is then illustrated. After a brief overview of the advantages of macroscopic theories, the dynamics of nuclear system under large amplitude motion is reviewed. The di-nuclear concept is presented to understand the competition between fusion and quasi-fission. This concept is then generalized to account for the dissipative dynamics in multidimensional collective space. The last part of this lecture is devoted to new aspects encountered with radioactive beams specific properties of very extended neutron rich system, influence of pygmy or soft dipole resonances and charge exchange far from stability are discussed. (author)

  2. Nuclear structure and pion reactions

    International Nuclear Information System (INIS)

    Shell model analyses of inelastic pion and electron scattering are used to derive many body wave functions suitable for DCX studies of masses 14 and 18. These calculations show clear evidence for the need to include core-excitations in the wave functions of the ground and excited states of these nuclei. The appropriate enhancement and quenching of the isoscalar and isovector one-body density matrix elements are deduced, and their possible effects on DCX cross-sections discussed. Effective (q-dependent) transitions, obtained from microscopic core-polarization calculations, are found to give an excellent description of the pion angular distributions and π+/π- ratios in this mass region, justifying the use of effective charges in shell model studies of pion reactions. 13 refs., 12 figs

  3. Computed potential energy surfaces for chemical reactions

    Science.gov (United States)

    Walch, Stephen P.

    1994-01-01

    Quantum mechanical methods have been used to compute potential energy surfaces for chemical reactions. The reactions studied were among those believed to be important to the NASP and HSR programs and included the recombination of two H atoms with several different third bodies; the reactions in the thermal Zeldovich mechanism; the reactions of H atom with O2, N2, and NO; reactions involved in the thermal De-NO(x) process; and the reaction of CH(squared Pi) with N2 (leading to 'prompt NO'). These potential energy surfaces have been used to compute reaction rate constants and rates of unimolecular decomposition. An additional application was the calculation of transport properties of gases using a semiclassical approximation (and in the case of interactions involving hydrogen inclusion of quantum mechanical effects).

  4. Heuristics-Guided Exploration of Reaction Mechanisms

    CERN Document Server

    Bergeler, Maike; Proppe, Jonny; Reiher, Markus

    2015-01-01

    For the investigation of chemical reaction networks, the efficient and accurate determination of all relevant intermediates and elementary reactions is inevitable. The complexity of such a network may grow rapidly, in particular if reactive species are involved that might cause a myriad of side reactions. Without automation, a complete investigation of complex reaction mechanisms is tedious and possibly unfeasible. Therefore, only the expected dominant reaction paths of a chemical reaction network (e.g., a catalytic cycle or an enzymatic cascade) are usually explored in practice. Here, we present a computational protocol that constructs such networks in a parallelized and automated manner. Molecular structures of reactive complexes are generated based on heuristic rules and subsequently optimized by electronic-structure methods. Pairs of reactive complexes related by an elementary reaction are then automatically detected and subjected to an automated search for the connecting transition state. The results are...

  5. A Networks Approach to Modeling Enzymatic Reactions.

    Science.gov (United States)

    Imhof, P

    2016-01-01

    Modeling enzymatic reactions is a demanding task due to the complexity of the system, the many degrees of freedom involved and the complex, chemical, and conformational transitions associated with the reaction. Consequently, enzymatic reactions are not determined by precisely one reaction pathway. Hence, it is beneficial to obtain a comprehensive picture of possible reaction paths and competing mechanisms. By combining individually generated intermediate states and chemical transition steps a network of such pathways can be constructed. Transition networks are a discretized representation of a potential energy landscape consisting of a multitude of reaction pathways connecting the end states of the reaction. The graph structure of the network allows an easy identification of the energetically most favorable pathways as well as a number of alternative routes.

  6. Evolutionary change in continuous reaction norms

    DEFF Research Database (Denmark)

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

    2014-01-01

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

  7. Reaction of nitrile pollutants in high temperature water: Reaction pathway analysis and kinetic modeling

    Energy Technology Data Exchange (ETDEWEB)

    Izzo, B.; Harrell, C.; Klein, M.T. [Univ. of Delaware, Newark, DE (United States); LaMarca, C. [E.I. du Pont de Nemours & Co., Wilmington, DE (United States)

    1996-12-31

    The reaction chemistry of acetonitrile and benzonitrile in High Temperature Water (HTW) was investigated. The reaction products were the associated amides and carboxylic acids. A kinetic model incorporating two autocatalytic steps captured the kinetics observed. The optimized rate constants highlighted differences in the reaction chemistry of aliphatic and aromatic nitrites at these reaction conditions. 6 refs., 3 figs., 2 tabs.

  8. Trimolecular reactions of uranium hexafluoride with water.

    Science.gov (United States)

    Lind, Maria C; Garrison, Stephen L; Becnel, James M

    2010-04-01

    The hydrolysis reaction of uranium hexafluoride (UF(6)) is a key step in the synthesis of uranium dioxide (UO(2)) powder for nuclear fuels. Mechanisms for the hydrolysis reactions are studied here with density functional theory and the Stuttgart small-core scalar relativistic pseudopotential and associated basis set for uranium. The reaction of a single UF(6) molecule with a water molecule in the gas phase has been previously predicted to proceed over a relatively sizable barrier of 78.2 kJ x mol(-1), indicating this reaction is only feasible at elevated temperatures. Given the observed formation of a second morphology for the UO(2) product coupled with the observations of rapid, spontaneous hydrolysis at ambient conditions, an alternate reaction pathway must exist. In the present work, two trimolecular hydrolysis mechanisms are studied with density functional theory: (1) the reaction between two UF(6) molecules and one water molecule, and (2) the reaction of two water molecules with a single UF(6) molecule. The predicted reaction of two UF(6) molecules with one water molecule displays an interesting "fluorine-shuttle" mechanism, a significant energy barrier of 69.0 kJ x mol(-1) to the formation of UF(5)OH, and an enthalpy of reaction (DeltaH(298)) of +17.9 kJ x mol(-1). The reaction of a single UF(6) molecule with two water molecules displays a "proton-shuttle" mechanism, and is more favorable, having a slightly lower computed energy barrier of 58.9 kJ x mol(-1) and an exothermic enthalpy of reaction (DeltaH(298)) of -13.9 kJ x mol(-1). The exothermic nature of the overall UF(6) + 2H(2)O trimolecular reaction and the lowering of the barrier height with respect to the bimolecular reaction are encouraging. PMID:20210345

  9. Department of Nuclear Reactions: Overview

    International Nuclear Information System (INIS)

    (full text) During the last year our activities were spread over the three major domains: nuclear, atomic and material physics. The nuclear physics experimental programme covered a broad range of nuclear reactions induced by light and heavy ions. New experiments were performed at the compact C-30 cyclotron at Swierk, at University of Jyvaeskylae, GSI Darmstadt, LN Saturne. Prospects for future experiments on nucleon structure at Forschungszentrum Juelich were open. The collaboration with INR Kiev was tightened and work was done in order to prepare experiments at the C-200 heavy ion cyclotron in Warsaw. An effort to install the ion guide isotope separator on line (IGISOL) at the C-200 cyclotron has also to be mentioned A half a year stay of Dr. Nicholas Keeley in the Department, who received The Royal Society/Polish Academy of Science grant, resulted in many interesting results on breakup of light nuclei. Details can be found in the short abstracts presented in this report. As far as atomic physics is concerned, the activity of a group lead by Prof. Marian Jaskola yielded various new results. The experiments were performed at the University of Erlangen, in close collaboration with the Pedagogical University in Kielce and the University of Basel. Fast neutrons generated in the 3H(d,n)4He reaction induced by the 2 MeV deuteron beam from the Van der Graaff accelerator at the Department were used to calibrate solid state-nuclear-track detectors. This was a very good year for material physics research: Jan Kaczanowski and Slawomir Kwiatkawski received Ph.D. degrees based on dissertation research performed in the material physics research programme, while Pawel Kolodziej completed his MSc. thesis in collaboration with the Institute of Electronic Materials Technology in Warsaw, Research Center Karlsruhe, University of Jena and CSNSM Orsay many results were obtained. Lech Nowicki and Prof. Andrzej Turos were awarded by the Director of the IPJ prizes for their scientific

  10. Glycation Reactions of Casein Micelles.

    Science.gov (United States)

    Moeckel, Ulrike; Duerasch, Anja; Weiz, Alexander; Ruck, Michael; Henle, Thomas

    2016-04-13

    After suspensions of micellar casein or nonmicellar sodium caseinate had been heated, respectively, in the presence and absence of glucose for 0-4 h at 100 °C, glycation compounds were quantitated. The formation of Amadori products as indicators for the "early" Maillard reaction were in the same range for both micellar and nonmicellar caseins, indicating that reactive amino acid side chains within the micelles are accessible for glucose in a comparable way as in nonmicellar casein. Significant differences, however, were observed concerning the formation of the advanced glycation end products (AGEs), namely, N(ε)-carboxymethyllysine (CML), pyrraline, pentosidine, and glyoxal-lysine dimer (GOLD). CML could be observerd in higher amounts in nonmicellar casein, whereas in the micelles the pyrraline formation was increased. Pentosidine and GOLD were formed in comparable amounts. Furthermore, the extent of protein cross-linking was significantly higher in the glycated casein micelles than in the nonmicellar casein samples. Dynamic light scattering and scanning electron microscopy showed that glycation has no influence on the size of the casein micelles, indicating that cross-linking occurs only in the interior of the micelles, but altered the surface morphology. Studies on glycation and nonenzymatic cross-linking can contribute to the understanding of the structure of casein micelles. PMID:27018258

  11. 2005 Chemical Reactions at Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Cynthia M. Friend

    2006-03-14

    The Gordon Research Conference (GRC) on 2005 Chemical Reactions at Surfaces was held at Ventura Beach Marriott, Ventura California from February 13, 2005 through February 18, 2005. The Conference was well-attended with 124 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. In designing the formal speakers program, emphasis was placed on current unpublished research and discussion of the future target areas in this field. There was a conscious effort to stimulate lively discussion about the key issues in the field today. Time for formal presentations was limited in the interest of group discussions. In order that more scientists could communicate their most recent results, poster presentation time was scheduled. Attached is a copy of the formal schedule and speaker program and the poster program. In addition to these formal interactions, 'free time' was scheduled to allow informal discussions. Such discussions are fostering new collaborations and joint efforts in the field.

  12. Vertical two chamber reaction furnace

    Science.gov (United States)

    Blaugher, Richard D.

    1999-03-16

    A vertical two chamber reaction furnace. The furnace comprises a lower chamber having an independently operable first heating means for heating the lower chamber and a gas inlet means for admitting a gas to create an ambient atmosphere, and an upper chamber disposed above the lower chamber and having an independently operable second heating means for heating the upper chamber. Disposed between the lower chamber and the upper chamber is a vapor permeable diffusion partition. The upper chamber has a conveyor means for conveying a reactant there through. Of particular importance is the thallinating of long-length thallium-barium-calcium-copper oxide (TBCCO) or barium-calcium-copper oxide (BCCO) precursor tapes or wires conveyed through the upper chamber to thereby effectuate the deposition of vaporized thallium (being so vaporized as the first reactant in the lower chamber at a temperature between about 700.degree. and 800.degree. C.) on TBCCO or BCCO tape or wire (the second reactant) at its simultaneous annealing temperature in the upper chamber of about 800.degree. to 950.degree. C. to thereby replace thallium oxide lost from TBCCO tape or wire because of the high annealing temperature or to deposit thallium on BCCO tape or wire. Continuously moving the tape or wire provides a single-step process that effectuates production of long-length TBCCO superconducting product.

  13. Piezonuclear reactions - do they exist?

    CERN Document Server

    Ericsson, G; Sjöstrand, H; Traneus, E

    2009-01-01

    In a number of recent articles in this journal F. Cardone and collaborators have claimed the observation of several striking nuclear phenomena which they attribute to "piezonuclear reactions". One such claim [Phys. Lett. A 373 (2009) 1956] is that subjecting a solution of 228Th to cavitation leads to a "transformation" of thorium nuclei that is 104 times faster than the normal nuclear decay for this isotope. In a "Comment" [Phys. Lett. A 373 (2009) 3795] to the thorium work, we have criticized the evidence provided for this claim. In a "Reply" [Phys. Lett. A 373 (2009) 3797] Cardone et al. answer only some minor points but avoid addressing the real issue. The information provided in their Reply displays a worrying lack of control of their experimental situation and the data they put forward as evidence for their claims. We point out several shortcomings and errors in the described experimental preparations, set-up and reporting, as well as in the data analysis. We conclude that the evidence presented by Cardo...

  14. Proton transfer reaction - mass spectrometry

    International Nuclear Information System (INIS)

    Proton transfer reaction mass spectrometry (PTR-MS) provides on-line monitoring of volatile organic compounds (VOCs) with a low detection threshold and a fast response time. Commercially available set-ups are usually based on quadrupole analysers but recently new instruments based on time-of-flight (PTR-ToF-MS) analysers have been proposed and commercialized. PTR-MS has been successfully applied to a variety of fields including environmental science, food science and technology, plant physiology and medical science. Many new challenges arise from the newly available PTR-ToF-MS instruments, ranging from mass calibration and absolute VOC concentration determination to data mining and sample classification. This thesis addresses some of these problems in a coherent framework. Moreover, relevant applications in food science and technology are presented. It includes twelve papers published in peer reviewed journals. Some of them address methodological issues regarding PTR-ToF-MS; the others contain applicative studies of PTR-ToF-MS to food science and technology. Among them, there are the first two published applications of PTR-ToF-MS in this field. (author)

  15. Controlling chemical reactions of a single particle

    CERN Document Server

    Ratschbacher, Lothar; Sias, Carlo; Köhl, Michael

    2012-01-01

    The control of chemical reactions is a recurring theme in physics and chemistry. Traditionally, chemical reactions have been investigated by tuning thermodynamic parameters, such as temperature or pressure. More recently, physical methods such as laser or magnetic field control have emerged to provide completely new experimental possibilities, in particular in the realm of cold collisions. The control of reaction pathways is also a critical component to implement molecular quantum information processing. For these undertakings, single particles provide a clean and well-controlled experimental system. Here, we report on the experimental tuning of the exchange reaction rates of a single trapped ion with ultracold neutral atoms by exerting control over both their quantum states. We observe the influence of the hyperfine interaction on chemical reaction rates and branching ratios, and monitor the kinematics of the reaction products. These investigations advance chemistry with single trapped particles towards achi...

  16. Reaction Coordinates and Mechanistic Hypothesis Tests.

    Science.gov (United States)

    Peters, Baron

    2016-05-27

    Reaction coordinates are integral to several classic rate theories that can (a) predict kinetic trends across conditions and homologous reactions, (b) extract activation parameters with a clear physical interpretation from experimental rates, and (c) enable efficient calculations of free energy barriers and rates. New trajectory-based rare events methods can provide rates directly from dynamical trajectories without a reaction coordinate. Trajectory-based frameworks can also generate ideal (but abstract) reaction coordinates such as committors and eigenfunctions of the master equation. However, rates and mechanistic insights obtained from trajectory-based methods and abstract coordinates are not readily generalized across simulation conditions or reaction families. We discuss methods for identifying physically meaningful reaction coordinates, including committor analysis, variational transition state theory, Kramers-Langer-Berezhkovskii-Szabo theory, and statistical inference methods that can use path sampling data to screen, mix, and optimize thousands of trial coordinates. Special focus is given to likelihood maximization and inertial likelihood maximization approaches. PMID:27090846

  17. Reaction Coordinates and Mechanistic Hypothesis Tests.

    Science.gov (United States)

    Peters, Baron

    2016-05-27

    Reaction coordinates are integral to several classic rate theories that can (a) predict kinetic trends across conditions and homologous reactions, (b) extract activation parameters with a clear physical interpretation from experimental rates, and (c) enable efficient calculations of free energy barriers and rates. New trajectory-based rare events methods can provide rates directly from dynamical trajectories without a reaction coordinate. Trajectory-based frameworks can also generate ideal (but abstract) reaction coordinates such as committors and eigenfunctions of the master equation. However, rates and mechanistic insights obtained from trajectory-based methods and abstract coordinates are not readily generalized across simulation conditions or reaction families. We discuss methods for identifying physically meaningful reaction coordinates, including committor analysis, variational transition state theory, Kramers-Langer-Berezhkovskii-Szabo theory, and statistical inference methods that can use path sampling data to screen, mix, and optimize thousands of trial coordinates. Special focus is given to likelihood maximization and inertial likelihood maximization approaches.

  18. Estimating the Backup Reaction Wheel Orientation Using Reaction Wheel Spin Rates Flight Telemetry from a Spacecraft

    Science.gov (United States)

    Rizvi, Farheen

    2013-01-01

    A report describes a model that estimates the orientation of the backup reaction wheel using the reaction wheel spin rates telemetry from a spacecraft. Attitude control via the reaction wheel assembly (RWA) onboard a spacecraft uses three reaction wheels (one wheel per axis) and a backup to accommodate any wheel degradation throughout the course of the mission. The spacecraft dynamics prediction depends upon the correct knowledge of the reaction wheel orientations. Thus, it is vital to determine the actual orientation of the reaction wheels such that the correct spacecraft dynamics can be predicted. The conservation of angular momentum is used to estimate the orientation of the backup reaction wheel from the prime and backup reaction wheel spin rates data. The method is applied in estimating the orientation of the backup wheel onboard the Cassini spacecraft. The flight telemetry from the March 2011 prime and backup RWA swap activity on Cassini is used to obtain the best estimate for the backup reaction wheel orientation.

  19. Kinetics of Model Reactions for Interfacial Polymerization

    Directory of Open Access Journals (Sweden)

    Henry Hall

    2012-02-01

    Full Text Available To model the rates of interfacial polycondensations, the rates of reaction of benzoyl chloride and methyl chloroformate with various aliphatic monoamines in acetonitrile were determined at 25 °C. Buffering with picric acid slowed these extremely fast reactions so the rate constants could be determined from the rate of disappearance of picrate ion. The rates of the amine reactions correlated linearly with their Swain-Scott nucleophilicities.

  20. A Unified Theory of Chemical Reactions

    CERN Document Server

    Aubry, S

    2014-01-01

    We propose a new and general formalism for elementary chemical reactions where quantum electronic variables are used as reaction coordinates. This formalism is in principle applicable to all kinds of chemical reactions ionic or covalent. Our theory reveals the existence of an intermediate situation between ionic and covalent which may be almost barrierless and isoenegetic and which should be of high interest for understanding biochemistry.

  1. Is EC class predictable from reaction mechanism?

    OpenAIRE

    Nath Neetika; Mitchell John BO

    2012-01-01

    We thank the Scottish Universities Life Sciences Alliance (SULSA) and the Scottish Overseas Research Student Awards Scheme of the Scottish Funding Council (SFC) for financial support. Background: We investigate the relationships between the EC (Enzyme Commission) class, the associated chemical reaction, and the reaction mechanism by building predictive models using Support Vector Machine (SVM), Random Forest (RF) and k-Nearest Neighbours (kNN). We consider two ways of encoding the reaction...

  2. Anaphylactoid Reactions to Tolmetin After Interrupted Dosage

    OpenAIRE

    Bretza, Joseph A.; Novey, Harold S.

    1985-01-01

    Seven patients had anaphylactoid reactions after ingesting tolmetin sodium. In each case the reaction followed readministration of the drug after an interrupted period of at least three days and within 90 minutes of taking a single 400-mg capsule. None of the patients had had prior anaphylaxis and none were judged atopic. Skin tests to an extract of the drug (0.02 mg) were uniformly negative, whereas a higher concentration produced a nonspecific irritant reaction. In vitro tests in one patien...

  3. Anaphylactoid reactions with gastrointestinal contrast media.

    Science.gov (United States)

    Skucas, J

    1997-04-01

    Significant anaphylactoid reactions to gastrointestinal contrast media are rare. Whether a patient who is atopic or has asthma is predisposed to these reactions is speculative. The rare patient who previously had a severe allergic reaction to such a product probably should not undergo a subsequent examination with a similar agent. The American College of Radiology classification of contrast media side effects can also be applied to the gastrointestinal contrast media. PMID:9124150

  4. Kinetics of Model Reactions for Interfacial Polymerization

    OpenAIRE

    Henry Hall; Robert Bates; Jeffrey Robertson; Anne Padias; Trevor Centeno-Hall

    2012-01-01

    To model the rates of interfacial polycondensations, the rates of reaction of benzoyl chloride and methyl chloroformate with various aliphatic monoamines in acetonitrile were determined at 25 °C. Buffering with picric acid slowed these extremely fast reactions so the rate constants could be determined from the rate of disappearance of picrate ion. The rates of the amine reactions correlated linearly with their Swain-Scott nucleophilicities.

  5. Neutrino nuclear response and photo nuclear reaction

    OpenAIRE

    Ejiri, H.; Titov, A. I.; .Boswell, M; Young, A.

    2013-01-01

    Photo nuclear reactions are shown to be used for studying neutrino/weak nuclear responses involved in astro-neutrino nuclear interactions and double beta decays. Charged current weak responses for ground and excited states are studied by using photo nuclear reactions through isobaric analog states of those states, while neutral current weak responses for excited states are studied by using photo nuclear reactions through the excited states. The weak interaction strengths are studied by measur...

  6. Acute anaphylactoid reactions during hemodialysis in France.

    Science.gov (United States)

    Forêt, M; Kuentz, F; Meftahi, H; Milongo, R; Hachache, T; Elsener, M; Dechelette, E; Cordonnier, D

    1987-04-01

    A retrospective survey of anaphylactoid reactions during dialysis in France was conducted. In 52 of 112 hemodialysis units surveyed 111 patients who had suffered one or more anaphylactoid reactions during dialysis were identified. According to the Hamilton/Adkinson classification, in 31 patients reactions were minor, in 54 patients moderate, and in 26 patients severe. Four patients died of their reactions. A preponderance of reactions (75 and 11%) occurred with cuprammonium cellulose hollow-fiber and plate dialyzers, respectively. Severe dialyzer reactions were found to occur more frequently after the long (weekend) interdialytic interval. In an in vitro study, six brands of cuprammonium cellulose hollow-fiber dialyzers were rinsed with water and the eluates analyzed by size exclusion chromatography for contaminant particles. Substantial variation in the amount of extractable material was found between dialyzers of different brands, despite the fact that all dialyzers used membranes from the same manufacturer. Previous data by others has suggested that this extractable material is a derivative of cellulose. Results of our epidemiologic survey in France are similar to those previously reported in the United States and suggest an increased incidence of dialyzer reactions with ethylene oxide-sterilized cuprammonium cellulose dialyzers. The presence of cellulose-derived particles in the rinsing fluid of such dialyzers and the possible increased incidence of reactions after the long (weekend) interdialytic interval suggest that allergy to cellulose-derived particles eluted from cellulosic dialyzers may contribute to dialyzer hypersensitivity reactions.

  7. Weber's Law in Autocatalytic Reaction Networks

    CERN Document Server

    Inoue, Masayo

    2011-01-01

    Biological responses often obey Weber's law, according to which the magnitude of the response depends only on the fold change in the external input. In this study, we demonstrate that a system involving a simple autocatalytic reaction shows such response when a chemical is slowly synthesized by the reaction from a faster influx process. We also show that an autocatalytic reaction process occurring in series or in parallel can obey Weber's law with an oscillatory adaptive response. Considering the simplicity and ubiquity of the autocatalytic process, our proposed mechanism is thought to be commonly observed in biological reactions.

  8. Asian collaboration on nuclear reaction data compilation

    International Nuclear Information System (INIS)

    Nuclear reaction data are essential for research and development in nuclear engineering, radiation therapy, nuclear physics and astrophysics. Experimental data must be compiled in a database and be accessible to nuclear data users. One of the nuclear reaction databases is the EXFOR database maintained by the International Network of Nuclear Reaction Data Centres (NRDC) under the auspices of the International Atomic Energy Agency. Recently, collaboration among the Asian NRDC members is being further developed under the support of the Asia-Africa Science Platform Program of the Japan Society for the Promotion of Science. We report the activity for three years to develop the Asian collaboration on nuclear reaction data compilation. (author)

  9. Time scale in quasifission reactions

    Energy Technology Data Exchange (ETDEWEB)

    Back, B.B.; Paul, P.; Nestler, J. [and others

    1995-08-01

    The quasifission process arises from the hindrance of the complete fusion process when heavy-ion beams are used. The strong dissipation in the system tends to prevent fusion and lead the system towards reseparation into two final products of similar mass reminiscent of a fission process. This dissipation slows down the mass transfer and shape transformation and allows for the emission of high energy {gamma}-rays during the process, albeit with a low probability. Giant Dipole {gamma} rays emitted during this time have a characteristic spectral shape and may thus be discerned in the presence of a background of {gamma} rays emitted from the final fission-like fragments. Since the rate of GDR {gamma} emission is very well established, the strength of this component may therefore be used to measure the timescale of the quasifission process. In this experiment we studied the reaction between 368-MeV {sup 58}Ni and a {sup 165}Ho target, where deep inelastic scattering and quasifission processes are dominant. Coincidences between fission fragments (detected in four position-sensitive avalanche detectors) and high energy {gamma} rays (measured in a 10{close_quotes} x 10{close_quotes} actively shielded NaI detector) were registered. Beams were provided by the Stony Brook Superconducting Linac. The {gamma}-ray spectrum associated with deep inelastic scattering events is well reproduced by statistical cooling of projectile and target-like fragments with close to equal initial excitation energy sharing. The y spectrum associated with quasifission events is well described by statistical emission from the fission fragments alone, with only weak evidence for GDR emission from the mono-nucleus. A 1{sigma} limit of t{sub ss} < 11 x 10{sup -21} s is obtained for the mono-nucleus lifetime, which is consistent with the lifetime obtained from quasifission fragment angular distributions. A manuscript was accepted for publication.

  10. Preparation and Reactions of Octasilsesquioxanes

    Institute of Scientific and Technical Information of China (English)

    Liu Ling-Kang

    2004-01-01

    Because of the length scales involved, nanocomposite materials incorporate extensive interracial interactions that can result in non-linear changes in the composite property. Chemists often start from polymerizable inorganic and organic constituents in the molecule to build organic/inorganic hybrids that combine advantageous properties of disparate components.Silsesquioxanes (RSiO1.5)n, derived from e.g. RSiCl3 or RSi(OEt)3 by hydrolysis/condensation in a sol-gel process, are a class of silicate framework where each Si-atom is linked covalently to an organic radical R that chemically modifies the silicates. In addition to incompletely condensed silsesquioxanes is the completely condensed octasilsesquioxane. These octameric silsesquioxanes are in transition between small molecules and macroscopic materials with skeletal frameworks found in crystalline forms of silica and zeolites. SisO12(CH=CH2)8 1 has a cubic silica like core and 8 olefin functionalities as known for a long time yet with very few reactivity reports. The acidic hydrolytic polycondensation of (vinyl)Si(OEt)3 in the literature, leading to only less than 20% of 1,also suggests a large room for improvement. We have found that the H NMR spectra of mixtures containing 1 and either the Schrock's catalyst or the Grubbs' catalyst never exhibit vinylic 1H peaks attributable to the formation of products from self-metathesis. With a Pt/C catalyst, the H-Si bond of HSiMe2Cl adds to the vinylic double bond of 1, forming 2 that reacts with sufficient CH2=CHCH2OH to give 3. Upon treatment of the Grubbs' catalyst, a ring-closing metathesis occurs on the surface of the cubic Si8O12 framework. The results exhibit a strong proximity effect with which 3 transforms itself to 4. Alternatively 5 has been prepared.The Gmbbs' catalyst allows 5 to isomerize from Z- to E-configuration to produce 4 independentiy, thus demonstrating the ring-closing metathesis reactions of densely populated terminal olefins on Si8O12 surface.

  11. Rare, severe hypersensitivity reaction to potassium iodide

    DEFF Research Database (Denmark)

    Nielsen, Anne Sofie Korsholm; Ebbehøj, Eva; Richelsen, Bjørn

    2014-01-01

    The literature reports a large variety of adverse reactions to potassium iodide. A severe hypersensitivity reaction to potassium iodide in a 51-year-old woman with Graves' thyrotoxicosis is described. Following administration the patient developed sialadenitis, conjunctivitis, stomatitis and acne...

  12. Glutathione conjugation as a bioactivation reaction

    NARCIS (Netherlands)

    Bladeren, P.J. van

    2000-01-01

    In general, glutathione conjugation is regarded as a detoxication reaction. However, depending on the properties of the substrate, bioactivation is also possible. Four types of activation reaction have been recognized: direct-acting compounds, conjugates that are activated through cysteine conjugate

  13. Entropy Generation in a Chemical Reaction

    Science.gov (United States)

    Miranda, E. N.

    2010-01-01

    Entropy generation in a chemical reaction is analysed without using the general formalism of non-equilibrium thermodynamics at a level adequate for advanced undergraduates. In a first approach to the problem, the phenomenological kinetic equation of an elementary first-order reaction is used to show that entropy production is always positive. A…

  14. Genetic Recombination as a Chemical Reaction Network

    OpenAIRE

    Müller, Stefan; Hofbauer, Josef

    2015-01-01

    The process of genetic recombination can be seen as a chemical reaction network with mass-action kinetics. We review the known results on existence, uniqueness, and global stability of an equilibrium in every compatibility class and for all rate constants, from both the population genetics and the reaction networks point of view.

  15. Polarization phenomena in heavy ion induced reactions

    International Nuclear Information System (INIS)

    Mechanisms of heavy ion reactions are discussed from the experimental results on polarization of products 12B in 14N + 100Mo and 14N + 232Th reactions. Polarization determines the signs of deflection functions corresponding to large energy losses. (author)

  16. Entity models for trigger-reaction documents

    NARCIS (Netherlands)

    M.A. Khalid; M. Marx; M.X. Makkes

    2008-01-01

    We define the notion of an entity model for a special kind of document popular on the web: an article followed by a list of reactions on that article, usually by many authors, usually inverse chronologically ordered. We call these documents trigger-reactions pairs. The entity model describes which n

  17. Multicomponent Reactions, Union of MCRs and Beyond

    NARCIS (Netherlands)

    Zarganes-Tzitzikas, Tryfon; Chandgude, Ajay L; Dömling, Alexander

    2015-01-01

    Multicomponent reactions (MCRs), which are located between one- and two-component and polymerization reactions, provide a number of valuable conceptual and synthetic advantages over stepwise sequential approaches towards complex and valuable molecules. To address current limitations in the number of

  18. Hydrazine in the Ugi Tetrazole Reaction

    NARCIS (Netherlands)

    Patil, Pravin; Zhang, Ji; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander

    2016-01-01

    We describe the hitherto unknown use of N-Boc-protected hydrazine in the Ugi tetrazole reaction to access a library of highly substituted 5-(hydrazinomethyl)-1-methyl-1H-tetrazoles. The reaction is very versatile and good to high yielding. A one-pot, two-step procedure is given.

  19. Asthma and anaphylactoid reactions to food additives.

    OpenAIRE

    Tarlo, S. M.; Sussman, G L

    1993-01-01

    Presumed allergic reactions to hidden food additives are both controversial and important. Clinical manifestations include asthma, urticaria, angioedema, and anaphylactic-anaphylactoid events. Most adverse reactions are caused by just a few additives, such as sulfites and monosodium glutamate. Diagnosis is suspected from the history and confirmed by specific challenge. The treatment is specific avoidance.

  20. Theory of electromagnetic reactions in light nuclei

    CERN Document Server

    Xu, Tianrui; Bacca, Sonia; Hagen, Gaute

    2015-01-01

    We briefly review the theory for electromagnetic reactions in light nuclei based on the coupled-cluster formulation of the Lorentz integral transform method. Results on photodisintegration reactions of 22O and 40Ca are reported on and preliminary calculations on the Coulomb sum rule for 4He are discussed.

  1. Community reaction to noise from power stations

    International Nuclear Information System (INIS)

    Community reaction is a major consideration in noise control. The relationship between noise exposure and community reaction has received considerable attention in relation to railway, traffic, aircraft and impulsive noise. The results have shown a number of features in common, including: similarly shaped noise/reaction functions; similar results across different measurement techniques and cultures, noise/reaction correlations based on individual respondent data are low (mean r = 0.42 ± 0.12: Job, 1988), although correlations of .58 and above have been reported correlations based on data grouped by noise exposure are generally high and relatively unaffected by the type of noise studied whereas correlations based on individual data tend to be lower for impulsive noise than for transportation noise attitude to the noise source and sensitivity to noise shows strong correlations with reaction. This paper reports that the present study was undertaken in order toe establish over a wider range of noise exposure whether community reaction to power station noise is similar to reaction to other types of non-impulsive noise. It is possible that reaction is different given important differences in the source of the noise which may affect attitude. Attitudes towards power stations may be more positive than attitudes to aircraft or rail noise for example, because almost all respondents use electricity regularly every day. Further, the power stations in the present study provided employment for the relatively small surrounding communities

  2. Ambulatory Measurement of Ground Reaction Forces

    NARCIS (Netherlands)

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

    2004-01-01

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

  3. Market reactions to the ECB's Comprehensive Assessment

    NARCIS (Netherlands)

    Sahin, Cenkhan; de Haan, Jakob

    2016-01-01

    Using an event study approach, we examine financial markets' reactions to the publication of the ECB's Comprehensive Assessment of banks in the euro area. Our results suggest that banks' stock market prices and CDS spreads generally showed no reaction. (C) 2015 Elsevier B.V. All rights reserved.

  4. Heavy ion transfer reactions: Status and perspectives

    Indian Academy of Sciences (India)

    L Corradi

    2010-07-01

    With the large solid angle magnetic spectrometer (PRISMA) coupled to the -array (CLARA), extensive investigations of nuclear structure and reaction dynamics have been carried out. In the present paper aspects of these studies will be presented, focussing more closely on the reaction mechanism, in particular on the properties of quasielastic and deep inelastic processes and on measurements at energies far below the Coulomb barrier.

  5. Reactions to Stranger and Acquaintance Rape.

    Science.gov (United States)

    Tetreault, Patricia A.; Barnett, Mark A.

    1987-01-01

    Investigated reactions to a woman who presumably had been raped by a stranger or an acquaintance. Undergraduates read one of two rape descriptions prior to watching a videotape of the woman who (they were led to believe) had been the victim of the rape. Females and males showed markedly different reactions to stranger and acquaintance rape and…

  6. Strategies for Innovation in Multicomponent Reaction Design

    OpenAIRE

    Ganem, Bruce

    2009-01-01

    By generating structural complexity in a single step from three or more reactants, multicomponent reactions (MCRs) make it possible to synthesize target compounds with greater efficiency and atom economy. The history of such reactions can be traced to the mid-nineteenth century when Strecker first produced α-aminonitriles from the condensation of aldehydes with ammonia and hydrogen cyanide.

  7. Michael Addition Reaction of Fluorinated Nitro Compounds

    Institute of Scientific and Technical Information of China (English)

    郇凤; 胡华伟; 黄焰根; 陈庆云; 郭勇

    2012-01-01

    The Michael addition reactions of fluorinated nitro compounds with electron deficient olefins to give γ-fiuoro-γ-nitro-esters, nitriles and ketones which bear a fluorinated quaternary carbon center were reported. The reactions were promoted by TMG, affording the desired adducts in acceptable to good yields.

  8. Pinacol Coupling Reactions Catalyzed by Active Zinc

    Institute of Scientific and Technical Information of China (English)

    Hui ZHAO; Wei DENG; Qing Xiang GUO

    2005-01-01

    Pinacol coupling reactions catalyzed by active zinc revealed high activity and extensive suitability. The efficiency of the reaction was improved apparently owing to decreasing reductive potential of zinc. In addition, the results indicated that the zinc activity has a direct relation to the coupling reactivity compared to untreated zinc or other general active zinc.

  9. Reactions the private life of atoms

    CERN Document Server

    Atkins, Peter

    2011-01-01

    Through an innovative, closely integrated design of images and text, and his characteristically clear, precise, and economical exposition, Peter Atkins explains the processes involved in chemical reactions. He begins by introducing a 'tool kit' of basic reactions, such as precipitation, corrosion, and catalysis, and concludes by showing how these building blocks are brought together in more complex processes such as photosynthesis.

  10. Ferrier reaction in a deep eutectic solvent.

    Science.gov (United States)

    Rokade, Sunil M; Bhate, Prakash M

    2015-10-13

    A mild and efficient synthesis of 2,3-unsaturated sugar derivatives has been achieved by conducting the Ferrier reaction in a deep eutectic solvent (DES). A wide range of alcohols including primary, secondary, benzylic, and sugar-derived primary alcohols can be used. Advantages include good yields, shorter reaction times and recyclability of DES. PMID:26279523

  11. Elements from chlorine to calcium nuclear reactions

    CERN Document Server

    Kunz, Wunibald

    1968-01-01

    Nuclear Tables: Part II Nuclear Reactions, Volume 3: The Elements from Chlorine to Calcium contains tabulations of the nuclear reaction values of elements chlorine, argon, potassium, and calcium. These tabulations provide the calculated Q-values of the elements and their isotopes. This book will be of value to general chemistry researchers.

  12. Intramolecular hydrogen transfer reaction: menthon from isopulegol.

    Science.gov (United States)

    Schaub, Thomas; Rüdenauer, Stefan; Weis, Martine

    2014-05-16

    The flavor menthon (isomeric mixture of (-)-menthon and (+)-isomenthon) was obtained in good yields and selectivities by a solventless ruthenium catalyzed isomerization of the homoallylic alcohol (-)-isopulegol. In contrast to most previous assumptions on such "isomerization" reactions, this reaction follows an intermolecular pathway, with menthol and pulegon being the central intermediates in this transformation. PMID:24779450

  13. Reaction path analysis of sodium-water chemical reaction field using laser diagnostics

    International Nuclear Information System (INIS)

    In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. Therefore, the study on sodium-water chemical reactions is of importance for security reasons. This study aims to clarify the gas phase sodium-water reaction path and reaction products. Na, Na2, H2O, and reaction products in the counter-flow sodium-water reaction field were measured using laser diagnostics such as Raman scattering and photo-fragmentation. The main product in the sodium-water reaction was determined to be NaOH and its reaction path was discussed using Na-H2O elementally reaction analysis. (author)

  14. Catalytic Hydrogenation Reaction of Naringin-Chalcone. Study of the Electrochemical Reaction

    Directory of Open Access Journals (Sweden)

    B. A. López de Mishima

    2000-03-01

    Full Text Available The electrocatalytic hydrogenation reaction of naringin derivated chalcone is studied. The reaction is carried out with different catalysts in order to compare with the classic catalytic hydrogenation.

  15. TRIMOLECULAR REACTIONS OF URANIUM HEXAFLUORIDE WITH WATER

    Energy Technology Data Exchange (ETDEWEB)

    Westbrook, M.; Becnel, J.; Garrison, S.

    2010-02-25

    The hydrolysis reaction of uranium hexafluoride (UF{sub 6}) is a key step in the synthesis of uranium dioxide (UO{sub 2}) powder for nuclear fuels. Mechanisms for the hydrolysis reactions are studied here with density functional theory and the Stuttgart small-core scalar relativistic pseudopotential and associated basis set for uranium. The reaction of a single UF{sub 6} molecule with a water molecule in the gas phase has been previously predicted to proceed over a relatively sizeable barrier of 78.2 kJ {center_dot} mol{sup -1}, indicating this reaction is only feasible at elevated temperatures. Given the observed formation of a second morphology for the UO{sub 2} product coupled with the observations of rapid, spontaneous hydrolysis at ambient conditions, an alternate reaction pathway must exist. In the present work, two trimolecular hydrolysis mechanisms are studied with density functional theory: (1) the reaction between two UF{sub 6} molecules and one water molecule, and (2) the reaction of two water molecules with a single UF{sub 6} molecule. The predicted reaction of two UF{sub 6} molecules with one water molecule displays an interesting 'fluorine-shuttle' mechanism, a significant energy barrier of 69.0 kJ {center_dot} mol{sup -1} to the formation of UF{sub 5}OH, and an enthalpy of reaction ({Delta}H{sub 298}) of +17.9 kJ {center_dot} mol{sup -1}. The reaction of a single UF{sub 6} molecule with two water molecules displays a 'proton-shuttle' mechanism, and is more favorable, having a slightly lower computed energy barrier of 58.9 kJ {center_dot} mol{sup -1} and an exothermic enthalpy of reaction ({Delta}H{sub 298}) of -13.9 kJ {center_dot} mol{sup -1}. The exothermic nature of the overall UF{sub 6} + 2 {center_dot} H{sub 2}O trimolecular reaction and the lowering of the barrier height with respect to the bimolecular reaction are encouraging; however, the sizable energy barrier indicates further study of the UF{sub 6} hydrolysis reaction

  16. Reaction mechanism of -acylhydroxamate with cysteine proteases

    Indian Academy of Sciences (India)

    R Shankar; P Kolandaivel

    2007-09-01

    The gas-phase reaction mechanism of -acylhydroxamate with cysteine proteases has been investigated using ab initio and density functional theory. On the irreversible process, after breakdown of tetrahedral intermediate (INT1), small 1-2 anionotropic has been formed and rearranged to give stable by-products sulfenamide (P1) and thiocarbamate (P2) with considerable energy loss. While, on the reversible part of this reaction mechanism, intermediate (INT2) breaks down on oxidation, to form a stable product (P3). Topological and AIM analyses have been performed for hydrogen bonded complex in this reaction profile. Intrinsic reaction coordinates [IRC, minimum-energy path (MEP)] calculation connects the transition state between R-INT1, INT1-P1 and INT1-P2. The products P1, P2 and P3 are energetically more stable than the reactant and hence the reaction enthalpy is found to be exothermic.

  17. Snake antivenoms: adverse reactions and production technology

    Directory of Open Access Journals (Sweden)

    VM Morais

    2009-01-01

    Full Text Available Antivenoms have been widely used for more than a century for treating snakebites and other accidents with poisonous animals. Despite their efficacy, the use of heterologous antivenoms involves the possibility of adverse reactions due to activation of the immune system. In this paper, alternatives for antivenom production already in use were evaluated in light of their ability to minimize the occurrence of adverse reactions. These effects were classified according to their molecular mechanism as: anaphylactic reactions mediated by IgE, anaphylactoid reactions caused by complement system activation, and pyrogenic reactions produced mainly by the presence of endotoxins in the final product. In the future, antivenoms may be replaced by humanized antibodies, specific neutralizing compounds or vaccination. Meanwhile, improvements in antivenom quality will be focused on the obtainment of a more purified and specific product in compliance with good manufacturing practices and at an affordable cost.

  18. Multilayer network analysis of nuclear reactions

    CERN Document Server

    Zhu, Liang; Chen, Qu; Han, Ding-Ding

    2016-01-01

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

  19. Mechanisms of inorganic and organometallic reactions

    CERN Document Server

    The purpose of this series is to provide a continuing critical review of the literature concerned with mechanistic aspects of inorganic and organo­ metallic reactions in solution, with coverage being complete in each volume. The papers discussed are selected on the basis of relevance to the elucidation of reaction mechanisms and many include results of a nonkinetic nature when useful mechanistic information can be deduced. The period of literature covered by this volume is July 1982 through December 1983, and in some instances papers not available for inclusion in the previous volume are also included. Numerical results are usually reported in the units used by the original authors, except where data from different papers are com­ pared and conversion to common units is necessary. As in previous volumes material included covers the major areas of redox processes, reactions of the nonmetallic elements, reaction of inert and labile metal complexes and the reactions of organometallic compounds. While m...

  20. Tandem Catalysis Utilizing Olefin Metathesis Reactions.

    Science.gov (United States)

    Zieliński, Grzegorz K; Grela, Karol

    2016-07-01

    Since olefin metathesis transformation has become a favored synthetic tool in organic synthesis, more and more distinct non-metathetical reactions of alkylidene ruthenium complexes have been developed. Depending on the conditions applied, the same olefin metathesis catalysts can efficiently promote isomerization reactions, hydrogenation of C=C double bonds, oxidation reactions, and many others. Importantly, these transformations can be carried out in tandem with olefin metathesis reactions. Through addition of one portion of a catalyst, a tandem process provides structurally advanced products from relatively simple substrates without the need for isolation of the intermediates. These aspects not only make tandem catalysis very attractive from a practical point of view, but also open new avenues in (retro)synthetic planning. However, in the literature, the term "tandem process" is sometimes used improperly to describe other types of multi-reaction sequences. In this Concept, a number of examples of tandem catalysis involving olefin metathesis are discussed with an emphasis on their synthetic value.

  1. Multilayer Network Analysis of Nuclear Reactions.

    Science.gov (United States)

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

    2016-01-01

    The nuclear reaction network is usually studied via precise calculation of differential equation sets, and much research interest has been focused on the characteristics of nuclides, such as half-life and size limit. In this paper, however, we adopt the methods from both multilayer and reaction networks, and obtain a distinctive view by mapping all the nuclear reactions in JINA REACLIB database into a directed network with 4 layers: neutron, proton, (4)He and the remainder. The layer names correspond to reaction types decided by the currency particles consumed. This combined approach reveals that, in the remainder layer, the β-stability has high correlation with node degree difference and overlapping coefficient. Moreover, when reaction rates are considered as node strength, we find that, at lower temperatures, nuclide half-life scales reciprocally with its out-strength. The connection between physical properties and topological characteristics may help to explore the boundary of the nuclide chart. PMID:27558995

  2. Multilayer Network Analysis of Nuclear Reactions

    Science.gov (United States)

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

    2016-01-01

    The nuclear reaction network is usually studied via precise calculation of differential equation sets, and much research interest has been focused on the characteristics of nuclides, such as half-life and size limit. In this paper, however, we adopt the methods from both multilayer and reaction networks, and obtain a distinctive view by mapping all the nuclear reactions in JINA REACLIB database into a directed network with 4 layers: neutron, proton, 4He and the remainder. The layer names correspond to reaction types decided by the currency particles consumed. This combined approach reveals that, in the remainder layer, the β-stability has high correlation with node degree difference and overlapping coefficient. Moreover, when reaction rates are considered as node strength, we find that, at lower temperatures, nuclide half-life scales reciprocally with its out-strength. The connection between physical properties and topological characteristics may help to explore the boundary of the nuclide chart. PMID:27558995

  3. The Pozzolanic reaction of silica fume

    DEFF Research Database (Denmark)

    Jensen, Ole Mejlhede

    2012-01-01

    Silica fume is a very important supplementary cementitious binder in High-Performance and Ultra High-Performance Concretes. Through its pozzolanic reaction the silica fume densifies the concrete micro-structure, in particular it strengthens the paste-aggregate interfacial transition zone. In the ...... of activation of the pozzolanic reaction of silica fume is estimated. The results show that the pozzolanic reaction of silica fume has notable differences from Portland cement hydration.......Silica fume is a very important supplementary cementitious binder in High-Performance and Ultra High-Performance Concretes. Through its pozzolanic reaction the silica fume densifies the concrete micro-structure, in particular it strengthens the paste-aggregate interfacial transition zone....... In the present paper different aspects of the pozzolanic reaction of silica fume are investigated. These include chemical shrinkage, isothermal heat development and strength development. Key data for these are given and compared with theoretical calculations, and based on presented measurements the energy...

  4. Acceleration of Organic Reactions Using Microwave

    Institute of Scientific and Technical Information of China (English)

    Lu Ta-Jung

    2004-01-01

    The use of microwave technology in accelerating organic reactions has received intense attention leading to immense growth recently. Accordingly, we have been interested in improving the efficacy of organic processes by microwave irradiation. Here we report our results on the microwave assisted direct amide formation from carboxylic acid and amine, the hydrolysis of biopolymers, and nucleophilic aromatic substitution reaction. The reactions carried out under microwave irradiation, in general, required considerably less reaction time and afforded the desired products in higher yields than those under classical conditions. In all the cases we have studied, the procedures are simplified, the purity of the products are higher, and the cost of reaction is greatly reduced employing microwave.

  5. Multilayer Network Analysis of Nuclear Reactions

    Science.gov (United States)

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

    2016-08-01

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

  6. Low energy ion-molecule reactions

    Energy Technology Data Exchange (ETDEWEB)

    Farrar, J.M. [Univ. of Rochester, NY (United States)

    1993-12-01

    This project is concerned with elucidating the dynamics of elementary ion-molecule reactions at collision energies near and below 1 eV. From measurements of the angular and energy distributions of the reaction products, one can infer intimathe details about the nature of collisions leading to chemical reaction, the geometries and lifetimes of intermediate complexes that govern the reaction dynamics, and the collision energy dependence of these dynamical features. The author employs crossed-beam low energy mass spectrometry technology developed over the last several years, with the focus of current research on proton transfer and hydrogen atom transfer reactions of te O{sup {minus}} ion with species such as HF, H{sub 2}O, and NH{sub 3}.

  7. Cascade enzymatic reactions for efficient carbon sequestration.

    Science.gov (United States)

    Xia, Shunxiang; Zhao, Xueyan; Frigo-Vaz, Benjamin; Zheng, Wenyun; Kim, Jungbae; Wang, Ping

    2015-04-01

    Thermochemical processes developed for carbon capture and storage (CCS) offer high carbon capture capacities, but are generally hampered by low energy efficiency. Reversible cascade enzyme reactions are examined in this work for energy-efficient carbon sequestration. By integrating the reactions of two key enzymes of RTCA cycle, isocitrate dehydrogenase and aconitase, we demonstrate that intensified carbon capture can be realized through such cascade enzymatic reactions. Experiments show that enhanced thermodynamic driving force for carbon conversion can be attained via pH control under ambient conditions, and that the cascade reactions have the potential to capture 0.5 mol carbon at pH 6 for each mole of substrate applied. Overall it manifests that the carbon capture capacity of biocatalytic reactions, in addition to be energy efficient, can also be ultimately intensified to approach those realized with chemical absorbents such as MEA. PMID:25708541

  8. Reaction-driven fracturing of porous rock

    Science.gov (United States)

    Ulven, O. I.; Jamtveit, B.; Malthe-Sørenssen, A.

    2014-10-01

    A 2-D computer model has been developed to investigate fluid-mediated transformation processes such as chemical weathering, mineral carbonation, and serpentinization that require transport of H2O and/or CO2 into reacting rock volumes. Hydration and carbonation cause local volume expansion, and the resulting nonuniform stresses may drive fracturing, which increases both the rate of transport and the accessible reactive surface area in the system and thus accelerates the rate of the transformation process. The model couples reactions, fracturing, and fluid transport for systems with a range of initial porosities, assumed constant throughout the process. With low initial porosity, a sharp reaction front between completely reacted material and unreacted material propagates into unaltered rock, while for high porosities, diffuse reaction fronts are formed in which a large fraction of the initial volume is partly reacted. When diffusive transport is rate limiting, the total reaction rate depends on porosity to a power N, where N is in the range 0.45-2. The exponent N increases as the reaction-generated expansion decreases. In high-porosity rocks, the total reaction rate is limited by reaction kinetics, and it is thus insensitive to porosity variations. As the volume increasing reaction proceeds, fracturing divides the unreacted porous material into subdomains, which may undergo further subdivision as they are consumed by the reaction. The total reaction rate and progress depend on the initial geometry of a reacting domain, and this significantly affects the weathering profiles for systems that evolve from an initial assembly of blocks with different sizes and shapes.

  9. The reaction mechanism of the (3HE,T) reaction and applications to nuclear structure

    NARCIS (Netherlands)

    1986-01-01

    In this thesis we present a study on the reaction meachanism of the (3He,t) reaction at 70-80 MeV bombarding energy and on structures of the residual nuclei excited in this reaction: 24-Al, 26-Al, 28-P, 32-Cl, 40-Sc, 42-Sc and 58-Cu... Zie: Summary

  10. Model Experiment of Thermal Runaway Reactions Using the Aluminum-Hydrochloric Acid Reaction

    Science.gov (United States)

    Kitabayashi, Suguru; Nakano, Masayoshi; Nishikawa, Kazuyuki; Koga, Nobuyoshi

    2016-01-01

    A laboratory exercise for the education of students about thermal runaway reactions based on the reaction between aluminum and hydrochloric acid as a model reaction is proposed. In the introductory part of the exercise, the induction period and subsequent thermal runaway behavior are evaluated via a simple observation of hydrogen gas evolution and…

  11. Effect of Reaction Developing Training on Audio-Visual Feet Reaction Time in Wrestlers

    Science.gov (United States)

    Kaya, Mustafa

    2016-01-01

    Reaction time is one of the most determinative elements for a successful sports performance. The purpose of this study was to investigate the effect of 12-week feet reaction developing trainings upon feet reaction time of females at 11-13 age interval. Volunteer sportsmen between 11 and 13 age interval who were active in Tokat Provincial…

  12. A Green Multicomponent Reaction for the Organic Chemistry Laboratory: The Aqueous Passerini Reaction

    Science.gov (United States)

    Hooper, Matthew M.; DeBoef, Brenton

    2009-01-01

    Water is the ideal green solvent for organic reactions. However, most organic molecules are insoluble in it. Herein, we report a laboratory module that takes advantage of this property. The Passerini reaction, a three-component coupling involving an isocyanide, aldehyde, and carboxylic acid, typically requires [similar to] 24 h reaction times in…

  13. Synthesis and Reactions of Acenaphthenequinones-Part-2. The Reactions of Acenaphthenequinones

    Directory of Open Access Journals (Sweden)

    Mahmoud Shoukry

    2002-02-01

    Full Text Available The reactions of acenaphthenequinone and its derivatives with different nucleophiles, organic and inorganic reagents are reviewed. This survey also covers their oxidation and reduction reactions, in addition to many known reactions such as Friedel Crafts, Diels-Alder, bromination and thiolation.

  14. Department of Nuclear Reactions: Overview

    International Nuclear Information System (INIS)

    Full text: It is surprising how so few under-paid scientists could do so much. During 2004 the number of papers published or being in press exceeded fifty, making almost three papers per person employed in our department. Furthermore, among these papers one was published in Nature, the World's highest-ranked scientific journal. This is a result that will be difficult to beat. It is my pleasure to mention that one of our PhD students, Mr Sergiy Mezhevych, won a prestigious Heavy Ion Laboratory Prize founded by Prof. Inamura, for his experimental work using a beam from the Warsaw Cyclotron. Thanks to the effort of our colleagues the Hermes Collaboration Meeting organized by IPJ in Kazimierz Dolny (June 25 - July 1) turned out a success. The following short reports cover the three major domains of our scientific activities: nuclear, materials and atomic physics. -Nuclear physics - The structure of light nuclei, including exotic radioactive isotopes, was investigated both experimentally and theoretically. Some experimental studies were performed at the Heavy Ion Laboratory of Warsaw University in collaboration with scientists from the Institute of Nuclear Research in Kiev, Ukraine. The two reports present interesting results for the rare carbon isotope, 14C. In the framework of Feshbach, Kerman and Koonin theory the multistep emission of one particle as well as more complicated direct processes were studied. It was found that these more complex processes play an important role in proton induced reactions. Experimental data from projectile-multifragmentation experiments with stable and radioactive beams were analysed. Some preliminary results are presented. Using a proton beam provided by the C-30 compact cyclotron at Swierk, detectors consisting of a PWO scintillator coupled to avalanche photodiodes were tested. The aim of these tests was to find the best detectors for the large electromagnetic calorimeter which will be used in future PANDA Collaboration experiments

  15. Severe catastrophes and public reactions

    International Nuclear Information System (INIS)

    nuclear opposition. Economical basis of nuclear energy stagnation is in not very successful competition of nuclear engineering with fossil energy production technologies. Much money has been spent for improvement of safety of NPPs. Social roots of the opposition are linked with a bad experience of the public with demonstration of the nuclear energy- The explosion of atomic bombs, some contamination of the territories after nuclear arm tests, misfortunes with TMI-2 and Chernobyl have created a stable enmity and non-acceptance of the all connected with 'atom'. The mass media have strongly promoted the dissemination of the fear of radiation exposures. There is also an influence on that attitude the radiation protection regulation via the declaration of the linear no-threshold dependence of the radiation detriments and dose of exposure. Such concept ignores the adoptive features of all living. But modem studies have showed that protracted irradiation at the same dose is much less dangerous compared with sharp one. It could change public attitude to nuclear energy in the society. Role of nuclear communication for public informing: The reactions of public on various technological and man-made events differ significantly and are being determined not scales of catastrophes but the mental impression and a multiplication of psychological stresses in the society by mass -media. In present situation a nuclear community has to improve the contacts with the pubic, to launch more effective campaign for explanation of real adventures of nuclear power. It needs to compare the risks of climate warming and health detriments from different electricity production technologies and to show that nuclear power is a single alternative all fossil burning techniques of electricity production. It's the truth the nuclear power is a real method of fight for suppression of emission the greenhouse gases, isn't it? (author)

  16. Department of Nuclear Reaction - Overview

    International Nuclear Information System (INIS)

    . The same effects can be crucial for the extraction of polarized quark distributions (spin puzzle) from semi-inclusive production of pions in DIS. It was carefully studied how production of dijets in real and virtual photoproduction provides new information on unintegrated gluon distribution. We have completed the construction of the Forward Wall detector for the CHICSi experiment at the Celsius synchrotron. First tests with 20Ne beam at 200 MeV/nucleon on 40Ar and 14N targets were performed. New results on the formation of dtμ, Muonic Molecule in Solid Hydrogen Target were obtained. First tests of the low energy spallation apparatus for measuring low energy spallation products emitted in proton induced reactions were performed using accelerator facilities at Catania (Italy). Further studies of statistical aspects of nuclear coupling to continuum were pursued. It was found that in the region of higher density of states the coupling to continuum is consistent with the statistical model. One Ph.D. thesis was completed under the supervision of Prof. Drozdz. The newly born doctor J. Kwapien was awarded The Henryk Niewodniczanski prize for his scientific achievement in studying the brain function. (author)

  17. Kiss-induced severe anaphylactic reactions

    Directory of Open Access Journals (Sweden)

    Atanasković-Marković Marina

    2010-01-01

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

  18. Minisatellite Attitude Guidance Using Reaction Wheels

    Directory of Open Access Journals (Sweden)

    Ion STROE

    2015-06-01

    Full Text Available In a previous paper [2], the active torques needed for the minisatellite attitude guidance from one fixed attitude posture to another fixed attitude posture were determined using an inverse dynamics method. But when considering reaction/momentum wheels, instead of this active torques computation, the purpose is to compute the angular velocities of the three reaction wheels which ensure the minisatellite to rotate from the initial to the final attitude. This paper presents this computation of reaction wheels angular velocities using a similar inverse dynamics method based on inverting Euler’s equations of motion for a rigid body with one fixed point, written in the framework of the x-y-z sequence of rotations parameterization. For the particular case A=B not equal C of an axisymmetric minisatellite, the two computations are compared: the active torques computation versus the computation of reaction wheels angular velocities ̇x , ̇y and ̇z. An interesting observation comes out from this numerical study: if the three reaction wheels are identical (with Iw the moment of inertia of one reaction wheel with respect to its central axis, then the evolutions in time of the products between Iw and the derivatives of the reaction wheels angular velocities, i.e. ̇ , ̇ and ̇ remain the same and do not depend on the moment of inertia Iw.

  19. Breakup fusion theory of nuclear reactions

    International Nuclear Information System (INIS)

    Continuum spectra of particles emitted in incomplete fusion reactions are one of the major interests in current nuclear reaction studies. Based on an idea of the so-called breakup fusion (BF) reaction, several authors derived closed formulas for the singles cross section of the particles that are emitted. There have been presented, however, two conflicting cross section formulas for the same BF reaction. For convenience, we shall call one of them the IAV (Ichimura, Austern and Vincent) and the other UT (Udagawa and Tamura) cross section formulas. In this work, the formulation of the UT cross section formula (prior-form) is presented, and the post-form version of the IAV cross section formula is evaluted for a few α- and d-induced reactions based on the exact finite range method. It is shown that the values thus calculated are larger by an order of magnitude as compared with the experimental cross sections for the α-induced reactions, while they are comparable with the experimental cross sections for the d-induced reactions. A possible origin of why such a large cross section is resulted in the case of α-induced reactions is also discussed. Polarization of the residual compound nucleus produced in breakup fusion reactions are calculated and compared with experiments. It is shown that the polarization is rather sensitive to the deflection angles of the strongly absortive partial waves and to obtain a good fit with the experimental data a l-dependent potential in the incident channel is needed in order to stress the lower partial waves

  20. Allergic Reactions to Pine Nut: A Review.

    Science.gov (United States)

    Cabanillas, B; Novak, N

    2015-01-01

    Pine nut is a nutrient-rich food with a beneficial impact on human health. The many bioactive constituents of pine nut interact synergistically to affect human physiology in a favorable way. However, pine nut can trigger dangerous allergic reactions. Severe anaphylactic reactions to pine nut accounted for most of the 45 cases reported in the scientific literature. Pine nut allergy seems to be characterized by low IgE cross-reactivity with other commonly consumed nuts and a high monosensitization rate. The present review provides updated information on allergic reactions to pine nut, molecular characterization of its allergens, and potential homologies with other nut allergens.

  1. Flows and chemical reactions in heterogeneous mixtures

    CERN Document Server

    Prud'homme, Roger

    2014-01-01

    This book - a sequel of previous publications 'Flows and Chemical Reactions' and 'Chemical Reactions in Flows and Homogeneous Mixtures' - is devoted to flows with chemical reactions in heterogeneous environments.  Heterogeneous media in this volume include interfaces and lines. They may be the site of radiation. Each type of flow is the subject of a chapter in this volume. We consider first, in Chapter 1, the question of the generation of environments biphasic individuals: dusty gas, mist, bubble flow.  Chapter 2 is devoted to the study at the mesoscopic scale: particle-fluid exchange of mom

  2. On the Violence of High Explosive Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Tarver, C M; Chidester, S K

    2004-02-09

    High explosive reactions can be caused by three general energy deposition processes: impact ignition by frictional and/or shear heating; bulk thermal heating; and shock compression. The violence of the subsequent reaction varies from benign slow combustion to catastrophic detonation of the entire charge. The degree of violence depends on many variables, including the rate of energy delivery, the physical and chemical properties of the explosive, and the strength of the confinement surrounding the explosive charge. The current state of experimental and computer modeling research on the violence of impact, thermal, and shock-induced reactions is reviewed.

  3. Fractional diffusion equations coupled by reaction terms

    Science.gov (United States)

    Lenzi, E. K.; Menechini Neto, R.; Tateishi, A. A.; Lenzi, M. K.; Ribeiro, H. V.

    2016-09-01

    We investigate the behavior for a set of fractional reaction-diffusion equations that extend the usual ones by the presence of spatial fractional derivatives of distributed order in the diffusive term. These equations are coupled via the reaction terms which may represent reversible or irreversible processes. For these equations, we find exact solutions and show that the spreading of the distributions is asymptotically governed by the same the long-tailed distribution. Furthermore, we observe that the coupling introduced by reaction terms creates an interplay between different diffusive regimes leading us to a rich class of behaviors related to anomalous diffusion.

  4. REACTION CHEMISTRY RELATED TO FCC GASOLINE QUALITY

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    About 80% of the gasoline pool as a whole in China for supplying the domestic market at current stage directly originates from FCC units. Obviously, FCC gasoline quality is critical for refiners to meet the nations more and more stringent gasoline specifications. FCC process is expected to produce gasoline with reduced contents of olefins, aromatics, benzene, sulfur, and, contradictorily, still with high octane number.   Catalytic cracking process involves a series of acid catalyzed reactions. Bronsted acid sites dominate the surface of the catalyst used for FCC process. All the reactions of hydrocarbons in FCC process are based on carbonium ions of penta-coordinated, or carbenium ions of tri-coordinated. The monomolecular beta scission mechanism for alkane cracking explains that the cracking of carbon-carbon bonding occurs at the beta position to the carbon atom bearing positive charge, and hence forms two small hydrocarbon molecules: one alkane molecule and one olefin molecule. The molar ratio of alkane to olefin for the primary cracking product will be 1 and it will be less than 1 if the cracking reaction proceeds.   However, it is proved that bimolecular reaction pathways exist between surface carbenium ions and the feed molecules. The products of this bimolecular disproportionation reaction could be an alkane molecule and a newly formed carbenium ion. The better understanding of the reaction chemistry of FCC process based on monomolecular pathways and bimolecular pathways should be the basis for searching approaches to the improvement of FCC gasoline quality. In the complicated reaction scheme of the FCC process, the isomerization reaction leading to the formation of iso-alkanes is obviously a target reaction, which favors both olefin reduction and octane enhancement.   The cracking of small paraffin molecules, due to its limited number of reaction pathways and products, has been used to investigate cracking mechanism. In the present work the

  5. Cross-Coupling Reaction with Lithium Methyltriolborate

    OpenAIRE

    Norio Miyaura; Hajime Ito; Yasunori Yamamoto; Kazuya Ikizakura

    2012-01-01

    We newly developed lithium methyltriolborate as an air-stable white solid that is convenient to handle. The good performance of this triolborate for metal-catalyzed bond-forming reactions was demonstrated in palladium-catalyzed cross-coupling reactions with haloarenes. Cross-coupling reaction of [MeB(OCH2)3CCH3]Li with aryl halides occurred in the presence of Pd(OAc)2/RuPhos complex in refluxing MeOH/H2O and the absence of bases.

  6. Cross-Coupling Reaction with Lithium Methyltriolborate

    OpenAIRE

    Yamamoto, Yasunori; Ikizakura, Kazuya; Ito, Hajime; Miyaura, Norio

    2013-01-01

    We newly developed lithium methyltriolborate as an air-stable white solid that is convenient to handle. The good performance of this triolborate for metal-catalyzed bond-forming reactions was demonstrated in palladium-catalyzed cross-coupling reactions with haloarenes. Cross-coupling reaction of [MeB(OCH2)3CCH3]Li with aryl halides occurred in the presence of Pd(OAc)2/RuPhos complex in refluxing MeOH/H2O and the absence of bases.

  7. Supercritical Fluid Reactions for Coal Processing

    Energy Technology Data Exchange (ETDEWEB)

    Charles A. Eckert

    1997-11-01

    Exciting opportunities exist for the application of supercritical fluid (SCF) reactions for the pre-treatment of coal. Utilizing reactants which resemble the organic nitrogen containing components of coal, we developed a method to tailor chemical reactions in supercritical fluid solvents for the specific application of coal denitrogenation. The tautomeric equilibrium of a Schiff base was chosen as one model system and was investigated in supercritical ethane and cosolvent modified supercritical ethane. The Diels-Alder reaction of anthracene and 4-phenyl-1,2,4-triazoline-3,5-dione (PTAD) was selected as a second model system, and it was investigated in supercritical carbon dioxide.

  8. Quantum radiation reaction: from interference to incoherence

    CERN Document Server

    Dinu, Victor; Ilderton, Anton; Marklund, Mattias; Torgrimsson, Greger

    2015-01-01

    We investigate quantum radiation reaction in laser-electron interactions across different energy and intensity regimes. Using a fully quantum approach which also accounts exactly for the effect of the strong laser pulse on the electron motion, we identify in particular a regime in which radiation reaction is dominated by quantum interference. We find signatures of quantum radiation reaction in the electron spectra which have no classical analogue and which cannot be captured by the incoherent approximations typically used in the high-intensity regime. These signatures are measurable with presently available laser and accelerator technology.

  9. Competitive Reactions to Advertising and Promotion Attacks

    OpenAIRE

    Jan-Benedict E. M. Steenkamp; Vincent R. Nijs; Dominique M. Hanssens; Dekimpe, Marnik G.

    2005-01-01

    How do competitors react to each other's price-promotion and advertising attacks? What are the reasons for the observed reaction behavior? We answer these questions by performing a large-scale empirical study on the short-run and long-run reactions to promotion and advertising shocks in over 400 consumer product categories over a four-year time span. Our results clearly show that the most predominant form of competitive response is passive in nature. When a reaction does occur, it is usually ...

  10. Cross-Coupling Reaction with Lithium Methyltriolborate

    Directory of Open Access Journals (Sweden)

    Norio Miyaura

    2012-12-01

    Full Text Available We newly developed lithium methyltriolborate as an air-stable white solid that is convenient to handle. The good performance of this triolborate for metal-catalyzed bond-forming reactions was demonstrated in palladium-catalyzed cross-coupling reactions with haloarenes. Cross-coupling reaction of [MeB(OCH23CCH3]Li with aryl halides occurred in the presence of Pd(OAc2/RuPhos complex in refluxing MeOH/H2O and the absence of bases.

  11. Primary reactions of recoiling germanium atoms

    International Nuclear Information System (INIS)

    75Ge recoils are made using the (n,2n) reaction. By analogy with Si recoils, two divalent species are suggested as intermediates in the recoil-germane reaction, one formed by H abstraction and the other formed by insertion only. A series of moderator and competition experiments were conducted. Of the noble gases, Kr is the most efficient moderator at removing kinetic energy from the recoils. Xe has a special effect due to its low ionization potential. A reaction scheme is proposed with two routes to digermane, one from a hot neutral atom and the other from a positive ion. 8 figures

  12. Tuning bimolecular chemical reactions by electric fields

    CERN Document Server

    Tscherbul, Timur V

    2014-01-01

    We develop a theoretical method for solving the quantum mechanical reactive scattering problem in the presence of external fields based on a hyperspherical coordinate description of the reaction complex combined with the total angular momentum representation for collisions in external fields. The method allows us to obtain converged results for the chemical reaction LiF + H -> Li + HF in an electric field. Our calculations demonstrate that, by inducing couplings between states of different total angular momenta, electric fields with magnitudes <150 kV/cm give rise to resonant scattering and a significant modification of the total reaction probabilities, product state distributions and the branching ratios for reactive vs inelastic scattering.

  13. Multistep processes in charge-exchange reactions

    CERN Document Server

    Demetriou, P; Marianski, B

    2002-01-01

    Cross sections for the charge-exchange sup 6 sup 5 Cu(p, n) sup 6 sup 5 Zn reaction at the incident energy of 27 MeV and the sup 1 sup 0 sup 0 Mo(p, n) sup 1 sup 0 sup 0 Tc reaction at the incident energy of 26 MeV have been calculated using the multistep direct reaction theory of Feshbach, Kerman and Koonin. The theory was modified to include the non-DWBA matrix elements and the isovector collective vibrations according to the prescription of Marcinkowski and Marianski. The results show enhanced contributions from two-, three- and four-step direct reactions in agreement with experiment.

  14. Reaction between drug substances and pharmaceutical excipients

    DEFF Research Database (Denmark)

    Larsen, Jesper; Cornett, Claus; Jaroszewski, Jerzy Witold;

    2009-01-01

    The reactivity of citric acid towards drug substances in the solid state was examined using the beta-blocker carvedilol as a model compound. The reaction mixtures were analysed by LC-MS, the reaction products were isolated by preparative HPLC, and the structures were elucidated by microprobe NMR...... spectroscopy. Heating a mixture of solid carvedilol and solid citric acid monohydrate for 96h at 50 degrees C resulted in the formation of about 3% of a symmetrical ester as well as of a number of other reaction products in smaller amounts. Formation of the symmetrical ester was also observed at room...... temperature. At 70 degrees C, the amounts of three isomeric esters formed reached 6-8%. The minor reaction products were citric acid amides, O-acetylcarvedilol, and esters of itaconic acid....

  15. Cyanohydrin reactions enhance glycolytic oscillations in yeast

    DEFF Research Database (Denmark)

    Hald, Bjørn Olav; Nielsen, Astrid Gram; Tortzen, Christian;

    2015-01-01

    Synchronous metabolic oscillations can be induced in yeast by addition of glucose and removal of extracellular acetaldehyde (ACAx). Compared to other means of ACAx removal, cyanide robustly induces oscillations, indicating additional cyanide reactions besides ACA to lactonitrile conversion. Here...

  16. Soil reaction; 1 : 1 000 000

    International Nuclear Information System (INIS)

    Soil reaction (pH) indicates the character of the acid base reactions in soils. It determines the course of numerous chemical and biochemical reactions, which influence the decay and transformation of organic and mineral substances, creation of clayey minerals, mobilisation of elements, and thus their accessibility to plants. It characterises the state of the acidifying effect on soils through natural and anthropic factors (acid rains). The map facilitates the visual perception of the nature and extent of soil acidification and its possible negative impact on other environmental components. The map of soil reaction was compiled by the geo-statistical methods relying on 7,172 pH measuring operations. Samples of forest and agricultural soils were taken in the 1995 - 1999 period in the framework of geochemical mapping of Slovak's soils. (authors)

  17. Reconstitution of Low Bandwidth Reaction History

    International Nuclear Information System (INIS)

    The goal of the Test Readiness Program is to transition to a 24 month test readiness posture and if approved move to an 18-month posture. One of the key components of the Test Readiness Program necessary to meet this goal is the reconstitution of the important diagnostics. Since the end of nuclear testing, the ability to field diagnostics on a nuclear test has deteriorated. Reconstitution of diagnostics before those who had experience in nuclear testing either retire or leave is essential to achieving a shorter test readiness posture. Also, the data recording systems have not been used since the end of testing. This report documents the reconstitution of one vital diagnostic: the low bandwidth reaction history diagnostic for FY04. Reaction history is one of the major diagnostics that has been used on all LLNL and LANL tests since the early days of nuclear testing. Reaction history refers to measuring the time history of the gamma and neutron output from a nuclear test. This gives direct information on the nuclear reactions taking place in the device. The reaction history measurements are one of the prime measurements the nuclear weapon scientists use to validate their models of device performance. All tests currently under consideration require the reaction history diagnostic. Thus moving to a shorter test readiness posture requires the reconstitution of the ability to make reaction history measurements. Reconstitution of reaction history was planned to be in two steps. Reaction history measurements that have been used in the past can be broadly placed into two categories. The most common type of reaction history and the one that has been performed on virtually all nuclear tests is termed low bandwidth reaction history. This measurement has a time response that is limited by the bandpass of kilometer length coaxial cables. When higher bandwidth has been required for specific measurements, fiber optic techniques have been used. This is referred to as high

  18. Enantioselective aldol reactions with masked fluoroacetates

    Science.gov (United States)

    Saadi, Jakub; Wennemers, Helma

    2016-03-01

    Despite the growing importance of organofluorines as pharmaceuticals and agrochemicals, the stereoselective introduction of fluorine into many prominent classes of natural products and chemotherapeutic agents is difficult. One long-standing unsolved challenge is the enantioselective aldol reaction of fluoroacetate to enable access to fluorinated analogues of medicinally relevant acetate-derived compounds, such as polyketides and statins. Herein we present fluoromalonic acid halfthioesters as biomimetic surrogates of fluoroacetate and demonstrate their use in highly stereoselective aldol reactions that proceed under mild organocatalytic conditions. We also show that the methodology can be extended to formal aldol reactions with fluoroacetaldehyde and consecutive aldol reactions. The synthetic utility of the fluorinated aldol products is illustrated by the synthesis of a fluorinated derivative of the top-selling drug atorvastatin. The results show the prospects of the method for the enantioselective introduction of fluoroacetate to access a wide variety of highly functionalized fluorinated compounds.

  19. Reaction Wheel Disturbance Model Extraction Software Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Reaction wheel disturbances are some of the largest sources of noise on sensitive telescopes. Such wheel-induced mechanical noises are not well characterized....

  20. Reaction Wheel with Embedded MEMS IMU Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Reaction wheels are used to stabilize satellites and to slew their orientation from object to object with precision and accuracy by varying the rotational speed of...

  1. Acoustic Resonance Reaction Control Thruster (ARCTIC) Project

    Data.gov (United States)

    National Aeronautics and Space Administration — ORBITEC proposes to develop and demonstrate the innovative Acoustic Resonance Reaction Control Thruster (ARCTIC) to provide rapid and reliable in-space impulse...

  2. Normative Mediation of Reactions to Crowding

    Science.gov (United States)

    Karlin, Robert A.; And Others

    1976-01-01

    This study manipulated norms governing interaction levels in crowded groups of women. Results indicated norms influenced reactions to crowding as predicted. Women reacted most positively when interaction levels were high and most negatively when interaction levels were low. (Author)

  3. Chemical Reactions at Surfaces. Final Progress Report

    Energy Technology Data Exchange (ETDEWEB)

    None

    2003-02-21

    The Gordon Research Conference (GRC) on Chemical Reactions at Surfaces was held at Holiday Inn, Ventura, California, 2/16-21/03. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  4. Reaction Wheel Disturbance Model Extraction Software Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Reaction wheel mechanical noise is one of the largest sources of disturbance forcing on space-based observatories. Such noise arises from mass imbalance, bearing...

  5. Reaction kinetics of isopropyl palmitate synthesis

    Institute of Scientific and Technical Information of China (English)

    Lili Fu; Yinge Bai; Gaozhi L; Denggao Jiang

    2015-01-01

    In this study, the kinetics of isopropyl palmitate synthesis including the reaction mechanism was studied based on the two-step noncatalytic method. The liquid-phase diffusion effect on the reaction process was eliminated by adjusting the stirring rate. The results showed that the two-step reaction followed a tetrahedral mechanism and conformed to second-order reaction kinetics. Nucleophilic attack on the carbonyl carbon afforded an intermedi-ate, containing a tetrahedral carbon center. The intermediate ultimately decomposed by elimination of the leav-ing group, affording isopropyl palmitate. The experimental data were analyzed at different temperatures by the integral method. The kinetic equations of the each step were deduced, and the activation energy and frequency factor were obtained. Experiments were performed to verify the feasibility of kinetic equations, and the result showed that the kinetic equations were reliable. This study could be very significant to both industrial application and determining the continuous production of isopropyl palmitate.

  6. Contact-Allergic Reactions to Cosmetics

    Directory of Open Access Journals (Sweden)

    An Goossens

    2011-01-01

    Full Text Available Contact-allergic reactions to cosmetics may be delayed-type reactions such as allergic and photo-allergic contact dermatitis, and more exceptionally also immediate-type reactions, that is, contact urticaria. Fragrances and preservative agents are the most important contact allergens, but reactions also occur to category-specific products such as hair dyes and other hair-care products, nail cosmetics, sunscreens, as well as to antioxidants, vehicles, emulsifiers, and, in fact, any possible cosmetic ingredient. Patch and prick testing to detect the respective culprits remains the golden standard for diagnosis, although additional tests might be useful as well. Once the specific allergens are identified, the patients should be informed of which products can be safely used in the future.

  7. Medium Effects in Reactions with Rare Isotopes

    International Nuclear Information System (INIS)

    We discuss medium effects in knockout reactions with rare isotopes of weakly-bound nuclei at intermediate energies. We show that the poorly known corrections may lead to sizable modifications of knockout cross sections and momentum dsitributions.

  8. Localized nonequilibrium nanostructures in surface chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Hildebrand, M; Ipsen, M; Mikhailov, A S; Ertl, G [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin (Germany)

    2003-06-01

    Nonequilibrium localized stationary structures of submicrometre and nanometre sizes can spontaneously develop under reaction conditions on a catalytic surface. These self-organized structures emerge because of the coupling between the reaction and a structural phase transition in the substrate. Depending on the reaction conditions they can either correspond to densely covered spots (islands), inside which the reaction predominantly proceeds, or local depletions (holes) in a dense adsorbate layer with a very small reactive output in comparison to the surroundings. The stationary localized solutions are constructed using the singular perturbation approximation. These results are compared with numerical simulations, where special adaptive grid algorithms and numerical continuation of stationary profiles are used. Numerical investigations beyond the singular perturbation limit are also presented.

  9. Micelle Catalysis of an Aromatic Substitution Reaction

    Science.gov (United States)

    Corsaro, Gerald; Smith J. K.

    1976-01-01

    Describes an experiment in which the iodonation of aniline reaction is shown to undergo catalysis in solution of sodium lauryl sulfate which forms micelles with negatively charged pseudo surfaces. (MLH)

  10. Mechanochemical reactions on copper-based compounds

    NARCIS (Netherlands)

    H.L. Castricum; H. Bakker; E.K. Poels

    1998-01-01

    Mechanochemical reactions of copper and copper oxides with oxygen and carbon dioxide are discussed, as well as decomposition and reduction of copper compounds by mechanical milling under high-vacuum conditions.

  11. Graphic Characterization and Taxonomy of Organic Reactions.

    Science.gov (United States)

    Fujita, Shinsaku

    1990-01-01

    Discussed are the substructures (subgraphs) of imaginary transition structures that provide an effective approach to the characterization of organic reactions. A comparison of conventional methods and this method is presented. (CW)

  12. Adsorption Isotherms and Surface Reaction Kinetics

    Science.gov (United States)

    Lobo, L. S.; Bernardo, C. A.

    1974-01-01

    Explains an error that occurs in calculating the conditions for a maximum value of a rate expression for a bimolecular reaction. The rate expression is derived using the Langmuir adsorption isotherm to relate gas pressures and corresponding surface coverages. (GS)

  13. Connectionist and diffusion models of reaction time.

    Science.gov (United States)

    Ratcliff, R; Van Zandt, T; McKoon, G

    1999-04-01

    Two connectionist frameworks, GRAIN (J. L. McClelland, 1993) and brain-state-in-a-box (J. A. Anderson, 1991), and R. Ratcliff's (1978) diffusion model were evaluated using data from a signal detection task. Dependent variables included response probabilities, reaction times for correct and error responses, and shapes of reaction-time distributions. The diffusion model accounted for all aspects of the data, including error reaction times that had previously been a problem for all response-time models. The connectionist models accounted for many aspects of the data adequately, but each failed to a greater or lesser degree in important ways except for one model that was similar to the diffusion model. The findings advance the development of the diffusion model and show that the long tradition of reaction-time research and theory is a fertile domain for development and testing of connectionist assumptions about how decisions are generated over time.

  14. Method for predicting enzyme-catalyzed reactions

    Science.gov (United States)

    Hlavacek, William S.; Unkefer, Clifford J.; Mu, Fangping; Unkefer, Pat J.

    2013-03-19

    The reactivity of given metabolites is assessed using selected empirical atomic properties in the potential reaction center. Metabolic reactions are represented as biotransformation rules. These rules are generalized from the patterns in reactions. These patterns are not unique to reactants but are widely distributed among metabolites. Using a metabolite database, potential substructures are identified in the metabolites for a given biotransformation. These substructures are divided into reactants or non-reactants, depending on whether they participate in the biotransformation or not. Each potential substructure is then modeled using descriptors of the topological and electronic properties of atoms in the potential reaction center; molecular properties can also be used. A Support Vector Machine (SVM) or classifier is trained to classify a potential reactant as a true or false reactant using these properties.

  15. Towards Quantum Transport for Central Nuclear Reactions

    CERN Document Server

    Danielewicz, Pawel; Barker, Brent

    2016-01-01

    Nonequilibrium Green's functions represent a promising tool for describing central nuclear reactions. Even at the single-particle level, though, the Green's functions contain more information that computers may handle in the foreseeable future. In this study, we explore slab collisions in one dimension, first in the mean field approximation and demonstrate that only function elements close to the diagonal in arguments are relevant, in practice, for the reaction calculations. This bodes well for the application of the Green's functions to the reactions. Moreover we demonstrate that an initial state for a reaction calculation may be generated through adiabatic transformation of interactions. Finally, we report on our progress in incorporating correlations into the dynamic calculations.

  16. Consumer Reaction to Beef Safety Scares

    OpenAIRE

    Saghaian, Sayed H.; Reed, Michael R.

    2007-01-01

    This study examines the impact of two beef safety scares on retail-level meat per capita consumption and prices in Japan. The objective is to investigate the Japanese consumer reactions to the news of FMD and BSE discoveries, as reflected in the quantity and price changes in the immediate neighborhood of each event. Better understanding of consumer reactions to beef safety scares helps the beef industry restore consumer confidence after food safety crises and provides opportunities for nation...

  17. [Tattoo skin reactions: Management and treatment algorithm].

    Science.gov (United States)

    Kluger, N

    2016-01-01

    So-called "allergic" reactions to ink or colouring agents constitute the main current complication associated with tattoos that lead individuals to consult. However, general practitioners are frequently at a loss about how to manage such complications. In order to assist clinicians in their daily practice, we propose an update of the modes of managing allergic reactions to tattoos, and we offer a therapeutic scale and a decision-making algorithm. PMID:27181822

  18. Maillard reaction products in pet foods

    OpenAIRE

    Rooijen, van, J.

    2015-01-01

    Pet dogs and cats around the world are commonly fed processed commercial foods throughout their lives. Often heat treatments are used during the processing of these foods to improve nutrient digestibility, shelf life, and food safety. Processing is known to induce the Maillard reaction, in which a reducing sugar binds to a free reactive amino group of an amino acid. In intact proteins, the ε-amino group of lysine is the most abundant free amino group. The reaction reduces the bioavail...

  19. Modification of the tuberculin reaction by levan.

    Science.gov (United States)

    Shezen, E.; Leibovici, J.; Wolman, M.

    1978-01-01

    High molecular levan (polyfructoside) inhibits the skin tuberculin reaction in guinea pigs as judged by the degree of induration and erythema. The effect is dose-dependent. No effect on cellular infiltration was observed in histological studies. The lymph nodes of levan-treated animals were smaller and exhibited a much milder granulomatous reaction than those of non-treated animals. Images Fig. 2 Fig. 3 PMID:718799

  20. Langevin Equations for Reaction-Diffusion Processes

    Science.gov (United States)

    Benitez, Federico; Duclut, Charlie; Chaté, Hugues; Delamotte, Bertrand; Dornic, Ivan; Muñoz, Miguel A.

    2016-09-01

    For reaction-diffusion processes with at most bimolecular reactants, we derive well-behaved, numerically tractable, exact Langevin equations that govern a stochastic variable related to the response field in field theory. Using duality relations, we show how the particle number and other quantities of interest can be computed. Our work clarifies long-standing conceptual issues encountered in field-theoretical approaches and paves the way for systematic numerical and theoretical analyses of reaction-diffusion problems.

  1. Novel Haloperoxidase Reaction: Synthesis of Dihalogenated Products

    OpenAIRE

    Geigert, John; Neidleman, Saul L.; Dalietos, Demetrios J.; DeWitt, Susanne K.

    1983-01-01

    The enzymatic synthesis of vicinal, dihalogenated products from alkenes and alkynes is described. The enzymatic reaction required an alkene or alkyne, dilute hydrogen peroxide, a haloperoxidase, and molar amounts of halide ions. Vicinal dichloro, dibromo, and diiodo products could be formed. A hydroxyl group on the carbon adjacent to the carbon-carbon double or triple bond lowered the halide ion concentration needed to produce the dihalo product. This reaction offers one explanation for the o...

  2. 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.)

  3. Catalytic Friedel-Crafts reaction of aminocyclopropanes.

    Science.gov (United States)

    de Nanteuil, Florian; Loup, Joachim; Waser, Jérôme

    2013-07-19

    A Lewis acid catalyzed Friedel-Crafts reaction between donor-acceptor aminocyclopropanes and indoles and other electron-rich aromatic compounds is reported. Indole alkylation at the C3 position was generally obtained for a broad range of functional groups and substitution patterns. In the case of C3-substituted indoles, C2 alkylation was observed. The reaction gives a rapid access to gamma amino acid derivatives present in numerous bioactive molecules. PMID:23815365

  4. Pharmacogenetics of idiosyncratic adverse drug reactions.

    Science.gov (United States)

    Pirmohamed, Munir

    2010-01-01

    Idiosyncratic adverse drug reactions are unpredictable and thought to have an underlying genetic etiology. With the completion of the human genome and HapMap projects, together with the rapid advances in genotyping technologies, we have unprecedented capabilities in identifying genetic predisposing factors for these relatively rare, but serious, reactions. The main roadblock to this is the lack of sufficient numbers of well-characterized samples from patients with such reactions. This is now beginning to be solved through the formation of international consortia, including developing novel ways of identifying and recruiting patients affected by these reactions, both prospectively and retrospectively. This has been led by the research on abacavir hypersensitivity - its association with HLA-B*5701 forms the gold standard of how we need to identify associations and implement them in clinical practice. Strong genetic predisposing factors have also been identified for hypersensitivity reactions such as are associated with carbamazepine, allopurinol, flucloxacillin, and statin-induced myopathy. However, for most other idiosyncratic adverse drug reactions, the genetic effect sizes have been low to moderate, although this may partly be due to the fact that only small numbers have been investigated and limited genotyping strategies have been utilized. It may also indicate that genetic predisposition will be dependent on multiple genes, with complex interactions with environmental factors. Irrespective of the strength of the genetic associations identified with individual idiosyncratic adverse drug reactions, it is important to undertake functional investigations to provide insights into the mechanism(s) of how the drug interacts with the gene variant to lead to a phenotype, which can take a multitude of clinical forms with variable severity. Such investigations will be essential in preventing the burden caused by idiosyncratic reactions, both in healthcare and in industry

  5. Prebiotic significance of the Maillard reaction

    Science.gov (United States)

    Kolb, Vera M.; Bajagic, Milica; Zhu, William; Cody, George D.

    2005-09-01

    The Maillard reaction was studied from a prebiotic point of view. We have shown that the Maillard reaction between ribose and common amino acids occurs readily in the solid state at 65°C. The C-13 NMR spectra of the solid insoluble Maillard products of ribose and serine, or alanine or isoleucine were compared to the spectrum of the insoluble organic carbon on Murchison.

  6. Polycyclic alkaloids via transannular Mannich reactions

    DEFF Research Database (Denmark)

    Vital, Paulo; Hosseini, Masood; Shanmugham, M. S.;

    2009-01-01

    The tricyclic compound 13, representing the framework of the cylindricine 4 and lepadiformine 5 alkaloids, was prepared in a single operation via the first example of a transannular Mannich reaction involving a macrocyclic diketoamine 12.......The tricyclic compound 13, representing the framework of the cylindricine 4 and lepadiformine 5 alkaloids, was prepared in a single operation via the first example of a transannular Mannich reaction involving a macrocyclic diketoamine 12....

  7. Minisatellite Attitude Guidance Using Reaction Wheels

    OpenAIRE

    Ion STROE; Dan N. Dumitriu

    2015-01-01

    In a previous paper [2], the active torques needed for the minisatellite attitude guidance from one fixed attitude posture to another fixed attitude posture were determined using an inverse dynamics method. But when considering reaction/momentum wheels, instead of this active torques computation, the purpose is to compute the angular velocities of the three reaction wheels which ensure the minisatellite to rotate from the initial to the final attitude. This paper presents this computation of ...

  8. Kinematical coincidence method in transfer reactions

    Energy Technology Data Exchange (ETDEWEB)

    Acosta, L.; Amorini, F. [INFN—Laboratori Nazionali del Sud, Via S. Sofia, Catania (Italy); Auditore, L. [INFN Gruppo Collegato di Messina and Dipartimento di Fisica, Università di Messina (Italy); Berceanu, I. [Institute for Physics and Nuclear Engineering, Bucharest (Romania); Cardella, G., E-mail: cardella@ct.infn.it [INFN—Sezione di Catania, Via S. Sofia, 95123 Catania (Italy); Chatterjiee, M.B. [Saha Institute for Nuclear Physics, Kolkata (India); De Filippo, E. [INFN—Sezione di Catania, Via S. Sofia, 95123 Catania (Italy); Francalanza, L.; Gianì, R. [INFN—Laboratori Nazionali del Sud, Via S. Sofia, Catania (Italy); Dipartimento di Fisica e Astronomia, Università di Catania, Via S. Sofia, Catania (Italy); Grassi, L. [INFN—Sezione di Catania, Via S. Sofia, 95123 Catania (Italy); Rudjer Boskovic Institute, Zagreb (Croatia); Grzeszczuk, A. [Institut of Physics, University of Silesia, Katowice (Poland); La Guidara, E. [INFN—Sezione di Catania, Via S. Sofia, 95123 Catania (Italy); Centro Siciliano di Fisica Nucleare e Struttura della Materia, Catania (Italy); Lanzalone, G. [INFN—Laboratori Nazionali del Sud, Via S. Sofia, Catania (Italy); Facoltà di Ingegneria e Architettura, Università Kore, Enna (Italy); Lombardo, I. [INFN—Laboratori Nazionali del Sud, Via S. Sofia, Catania (Italy); Dipartimento di Scienze Fisiche, Università Federico II and INFN Sezione di Napoli (Italy); Loria, D.; Minniti, T. [INFN Gruppo Collegato di Messina and Dipartimento di Fisica, Università di Messina (Italy); Pagano, E.V. [INFN—Laboratori Nazionali del Sud, Via S. Sofia, Catania (Italy); Dipartimento di Fisica e Astronomia, Università di Catania, Via S. Sofia, Catania (Italy); and others

    2013-07-01

    A new method to extract high resolution angular distributions from kinematical coincidence measurements in binary reactions is presented. Kinematics is used to extract the center of mass angular distribution from the measured energy spectrum of light particles. Results obtained in the case of {sup 10}Be+p→{sup 9}Be+d reaction measured with the CHIMERA detector are shown. An angular resolution of few degrees in the center of mass is obtained. The range of applicability of the method is discussed.

  9. Kinematical coincidence method in transfer reactions

    CERN Document Server

    Acosta, L; Auditore, L; Berceanu, I; Cardella, G; Chatterjiee, M B; De Filippo, E; FrancalanzA, L; Gianì, R; Grassi, L; Grzeszczuk, A; La Guidara, E; Lanzalone, G; Lombardo, I; Loria, D; Minniti, T; Pagano, E V; Papa, M; Pirrone, S; Politi, G; Pop, A; Porto, F; Rizzo, F; Rosato, E; Russotto, P; Santoro, S; Trifirò, A; Trimarchi, M; Verde, G; Vigilante, M

    2012-01-01

    A new method to extract high resolution angular distributions from kinematical coincidence measurements in binary reactions is presented. Kinematic is used to extract the center of mass angular distribution from the measured energy spectrum of light particles. Results obtained in the case of 10Be+p-->9Be+d reaction measured with the CHIMERA detector are shown. An angular resolution of few degrees in the center of mass is obtained.

  10. Allergic reaction to mint leads to asthma

    OpenAIRE

    Szema, Anthony M; Barnett, Tisha

    2011-01-01

    Respiratory and cutaneous adverse reactions to mint can result from several different mechanisms including IgE-mediated hypersensitivity, delayed-type hypersensitivity (contact dermatitis), and nonimmunologic histamine release. Reactions to cross-reacting plants of the Labiatae family, such as oregano and thyme, as well as to the chemical turpentine, may clue the clinician in on the diagnosis of mint allergy. Contact dermatitis can result from menthol in peppermint. Contact allergens have bee...

  11. Chapter 19 (Part 1): Enolate Reactions

    OpenAIRE

    Christiansen, Mike A

    2012-01-01

    In this video I'll teach you why alpha-hydrogens are so acidic, and how we can use that property to do some cool organic reactions. I'll talk about keto-enol tautomerism, LDA (lithium diisopropyl amine), alpha-halogenation, alkylation, acylation, beta-alkylation, the aldol reaction, the Claisen condensation, the Robinson annulation, decarboxylation, and the malonic ester synthesis. --Dr. Mike Christiansen from Utah State University

  12. Controlling reaction specificity in pyridoxal phosphate enzymes

    OpenAIRE

    Michael D Toney

    2011-01-01

    Pyridoxal 5'-phosphate enzymes are ubiquitous in the nitrogen metabolism of all organisms. They catalyze a wide variety of reactions including racemization, transamination, decarboxylation, elimination, retro-aldol cleavage, Claisen condensation, and others on substrates containing an amino group, most commonly α-amino acids. The wide variety of reactions catalyzed by PLP enzymes is enabled by the ability of the covalent aldimine intermediate formed between substrate and PLP to stabilize carb...

  13. Lip Augmentation Dermal Filler Reactions, Histopathologic Features

    OpenAIRE

    Eversole, Roy; Tran, Khahn; Hansen, Doyle; Campbell, John

    2013-01-01

    Instances of perioral and labial foreign body reactions to a variety of injectable dermal fillers were selected from the oral and maxillofacial pathology and dermatopathology archives at Pacific Pathology Laboratory of San Diego with the objective being to engender a compilation of histopathologic characteristics that allow the pathologist to identify the inciting materials. All cases of foreign body reactions located in the lips and perioral regions were reviewed by four pathologists, retain...

  14. Snake antivenoms: adverse reactions and production technology

    OpenAIRE

    VM Morais; H Massaldi

    2009-01-01

    Antivenoms have been widely used for more than a century for treating snakebites and other accidents with poisonous animals. Despite their efficacy, the use of heterologous antivenoms involves the possibility of adverse reactions due to activation of the immune system. In this paper, alternatives for antivenom production already in use were evaluated in light of their ability to minimize the occurrence of adverse reactions. These effects were classified according to their molecular mechanism ...

  15. (--SCLAREOL CONVERSION IN RITTER'S REACTION CONDITIONS

    Directory of Open Access Journals (Sweden)

    S. Kovalskaya

    2012-12-01

    Full Text Available The main products of sclareol (1 Ritter’s reaction in mild conditions are (8R,13R-Labd-14(15-en-8,13-diacetamide (2 (8R,13S-Labd-14(15-en-8,13-diacetamide (3 stereoisomeric on C13 atom and having unrearranged native diol skeleton. We present in the current communication the results of sclareol converting (1 into nitrogen-containing labdanes in the Ritter’s reaction conditions.

  16. Towards Quantum Transport for Nuclear Reactions

    OpenAIRE

    Danielewicz, Pawel; Rios, Arnau; Barker, Brent

    2009-01-01

    Nonequilibrium Green's functions represent a promising tool for describing central nuclear reactions. Even at the single-particle level, though, the Green's functions contain more information that computers may handle in the foreseeable future. In this study, we investigate whether all the information contained in the Green's functions is necessarily relevant when describing the time evolution of nuclear reactions. For this, we carry out mean-field calculations of slab collisions in one dimen...

  17. Unitary correlation in nuclear reaction theory

    OpenAIRE

    Mukhamedzhanov, A. M.; Kadyrov, A. S.

    2010-01-01

    We prove that the amplitudes for the (d,p), (d,pn) and (e,e'p) reactions determining the asymptotic behavior of the exact scattering wave functions in the corresponding channels are invariant under unitary correlation operators while the spectroscopic factors are not. Moreover, the exact reaction amplitudes are not parametrized in terms of the spectroscopic factors and cannot provide a tool to determine the spectroscopic factors.

  18. Nitroaldol reaction over solid base catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Akutu, Kazumasa; Kabashima, Hajime; Seki, Tsunetake; Hattori, Hideshi [Center for Advanced Research of Energy Technology, Hokkaido University, Kita-13, Nishi-8, Kita-ku, Sapporo 060-8628 (Japan)

    2003-07-10

    Nitroaldol reaction of a nitro compound with a carbonyl compound was carried out over a variety of solid base catalysts to elucidate the activity-determining factors in the nature of the catalysts and in the nature of nitro and carbonyl compounds. Among the catalysts examined, MgO, CaO, Ba(OH){sub 2}, KOH/alumina, KF/alumina, Sr(OH){sub 2}, hydrotalcite, and MgCO{sub 3} exhibited high activity for nitroaldol reaction of nitromethane with propionaldehyde, the activities being in this order. Over these catalysts, the yields exceeded 20% at a reaction temperature of 313K and a reaction time of 1h. Mg(OH){sub 2}, {gamma}-alumina, SrO, Ca(OH){sub 2}, BaCO{sub 3}, SrCO{sub 3}, BaO, and La{sub 2}O{sub 3} exhibited moderate activites; the yield were in the range 20-2%. CaCO{sub 3}, ZrO{sub 2}, and ZnO scarcely showed the activity. It is suggested that strongly basic sites are not required for the reaction because the abstraction of a proton from a nitro compound is easy. The reactivities of the nitro compounds were nitroethane > nitromethane > 2-nitropropane, and those of carbonyl compounds were propionaldehyde>isobutyraldehyde>pivalaldehyde>acetone>benzaldehyde>methylpro pionate. On the basis of IR study of adsorbed reactants and the reactivities of the reactants, the reaction mechanisms are proposed. The reaction proceeds by the nucleophilic addition of the carbanion formed by the abstraction of a proton from nitro compounds to the cationic species formed by the adsorption of carbonyl compounds on the acidic sites (metal cations). The nitroaldol reaction of nitromethane with propionaldehyde over MgO was scarcely poisoned by carbon dioxide and water; nitromethane is so acidic that it is able to be adsorbed on the catalyst on which carbon dioxide or water was preadsorbed.

  19. Trojan Horse particle invariance in fusion reactions

    OpenAIRE

    Pizzone R.G.; Spitaleril C.; Bertulani C.; Mukhamedzhanov A.; Blokhintsev L.; La Cognata M.; Lamia L.; Spartá R.; Tumino A.

    2015-01-01

    Trojan Horse method plays an important part for the measurement of several charged particle induced reactions cross sections of astrophysical interest. In order to better understand its cornerstones and the related applications to different astrophysical scenarios several tests were performed to verify all its properties and the possible future perspectives. The Trojan Horse nucleus invariance for the binary reactions d(d,p)t, 6,7Li(p,α)3,4He was therefore tested using the appropriate quasi f...

  20. Impact of THM reaction rates for astrophysics

    Science.gov (United States)

    Lamia, L.; Spitaleri, C.; Tognelli, E.; Degl'Innocenti, S.; Pizzone, R. G.; Moroni, P. G. Prada; Puglia, S. M. R.; Romano, S.; Sergi, M. L.

    2015-10-01

    Burning reaction S(E)-factor determinations are among the key ingredients for stellar models when one has to deal with energy generation evaluation and the genesis of the elements at stellar conditions. To by pass the still present uncertainties in extrapolating low-energies values, S(E)-factor measurements for charged-particle induced reactions involving light elements have been made available by devote Trojan Horse Method (THM) experiments. The recent results are here discussed together with their impact in astrophysics.

  1. The Ritter Reaction in Liquid Sulfur Dioxide

    OpenAIRE

    Posevins, D

    2015-01-01

    Ritter reaction is associated with a one-pot process for amide bond formation, that involves nitrile and a group, capable of giving a relatively stable carbenium ion (originally - alcohol or alkene) in strongly ionizing acidic medium. The classical Ritter reaction involves use of at least stoichiometric amounts of a corrosive Brønsted acid (i.e., conc. H2SO4), thus often limiting its applicability to compounds containing acid labile functional groups. Nevertheless because of its atom economy ...

  2. Nanocatalysts for Suzuki cross-coupling reactions

    KAUST Repository

    Fihri, Aziz

    2011-01-01

    This critical review deals with the applications of nanocatalysts in Suzuki coupling reactions, a field that has attracted immense interest in the chemical, materials and industrial communities. We intend to present a broad overview of nanocatalysts for Suzuki coupling reactions with an emphasis on their performance, stability and reusability. We begin the review with a discussion on the importance of Suzuki cross-coupling reactions, and we then discuss fundamental aspects of nanocatalysis, such as the effects of catalyst size and shape. Next, we turn to the core focus of this review: the synthesis, advantages and disadvantages of nanocatalysts for Suzuki coupling reactions. We begin with various nanocatalysts that are based on conventional supports, such as high surface silica, carbon nanotubes, polymers, metal oxides and double hydroxides. Thereafter, we reviewed nanocatalysts based on non-conventional supports, such as dendrimers, cyclodextrin and magnetic nanomaterials. Finally, we discuss nanocatalyst systems that are based on non-conventional media, i.e., fluorous media and ionic liquids, for use in Suzuki reactions. At the end of this review, we summarise the significance of nanocatalysts, their impacts on conventional catalysis and perspectives for further developments of Suzuki cross-coupling reactions (131 references). © 2011 The Royal Society of Chemistry.

  3. [The reaction to trichophytin in dermatophytoses].

    Science.gov (United States)

    Vilani-Moreno, F R; de Arruda, M S

    1992-01-01

    The authors investigated the specific immunological competence of 31 patients with dermatophytosis using tricophytin antigen. Among them, 54.8% showed reaction to the delay phase (48 h) in the following proportions: tinea inguinale, 75%; tinea pedis, 61.5%; tinea unguium, 50% and tinea corporis, 20%. Other 62.5% showed positive result to the early phase (30 m). The association between these reactions revealed that, although the majority of cases with early positive reaction showed negativity to the delayed reaction, 20.8% presented positively to both phases of the reaction. Out of the non-reactive patients to the delayed phase, 8 were submitted to the other cutaneous tests such as PPD, streptokinase, candidin, vaccinia and DNCB and showed preserved cellular immunity in 75%. These results suggest that, while using this reaction for immunological evaluation of patients with dermatophytosis, one should consider the overall immune status of the patient, the presence of early hypersensibility and the localization of the infection. PMID:1342118

  4. Computer simulation for sodium-concrete reactions

    International Nuclear Information System (INIS)

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

  5. N-Alkylation by Hydrogen Autotransfer Reactions.

    Science.gov (United States)

    Ma, Xiantao; Su, Chenliang; Xu, Qing

    2016-06-01

    Owing to the importance of amine/amide derivatives in all fields of chemistry, and also the green and environmentally benign features of using alcohols as alkylating reagents, the relatively high atom economic dehydrative N-alkylation reactions of amines/amides with alcohols through hydrogen autotransfer processes have received much attention and have developed rapidly in recent decades. Various efficient homogeneous and heterogeneous transition metal catalysts, nano materials, electrochemical methods, biomimetic methods, asymmetric N-alkylation reactions, aerobic oxidative methods, and even certain transition metal-free, catalyst-free, or autocatalyzed methods, have also been developed in recent years. With a brief introduction to the background and developments in this area of research, this chapter focuses mainly on recent progress and technical and conceptual advances contributing to the development of this research in the last decade. In addition to mainstream research on homogeneous and heterogeneous transition metal-catalyzed reactions, possible mechanistic routes for hydrogen transfer and alcohol activation, which are key processes in N-alkylation reactions but seldom discussed in the past, the recent reports on computational mechanistic studies of the N-alkylation reactions, and the newly emerged N-alkylation methods based on novel alcohol activation protocols such as air-promoted reactions and transition metal-free methods, are also reviewed in this chapter. Problems and bottlenecks that remained to be solved in the field, and promising new research that deserves greater future attention and effort, are also reviewed and discussed. PMID:27573267

  6. Some Organic Reactions in Supercritical Carbon Dioxide

    Institute of Scientific and Technical Information of China (English)

    JIANG Huan-feng; YANG Xiao-yue; LI Guo-ping; ZOU Gang

    2004-01-01

    Organic reactions in supercritical carbon dioxide (scCO2) have facilitated great progress in recent years 1. ScCO2, as an environmentally friendly reaction medium, may be a substitute for volatile and toxic organic solvents and show some special advantages. Firstly, CO2 is inexpensive,nonflammable, nontoxic and chemical inert under many conditions. Secondly, scCO2 possesses hybrid properties of both liquid and gas, to the advantage of some reactions involving gaseous reagents. Control of the solvent density by variation of the temperature and pressure enables the solvent properties to be "tuned" to reactants. Finally, separating of CO2 from the reaction mixture is energy-efficient and simple. Here we disclose our new work on some organic reactions involving small molecules in scCO2.The results showed that the upper reactions in scCO2 could be carried out smoothly and thepressure of CO2 had a remarkable effect on the conversion and selectivity.

  7. Anaphylaxis and Anaphylactoid Reactions: Diagnosis and Management.

    Science.gov (United States)

    Luskin, Allan T.; Luskin, Susan S.

    1996-07-01

    Anaphylaxis is an acute fatal or potentially fatal hypersensitivity reaction. Anaphylaxis represent a clinical diagnosis based on history and physical examination and includes symptoms of airway obstruction, generalized skin reactions, particularly flushing, itching, urticaria, angioedema cardiovascular symptoms including hypotension and gastrointestinal symptoms. These symptoms result from the action of mast cell mediators, especially histamine and lipid mediators such as leukotrienes and platelet activating factor on shock tissue. The shock tissue includes blood vessels, mucous glands, smooth muscle, and nerve endings. Anaphylaxis follows the typical immediate hypersensitivity time course, with a reaction beginning within minutes of antigen exposure. A late-phase reaction hours after the initial reaction may occur. Mast cell mediator release can be triggered by both IgE and non--IgE-mediated factors. Therefore, anaphylaxis may be termed anaphylaxis (IgE mediated) or anaphylactoid (non--IgE mediated). The most common IgE-mediated triggers are drugs, typically penicillin or other beta-lactam antibiotics, foods, most commonly nuts, peanuts, fish and shellfish, or hymenoptera stings. Non-IgE-mediated causes include factors causing marked complement activation such as plasma proteins or compounds which act directly on the mast cell membrane, such as vancomycin, quinolone antibiotics, or radiographic contrast media. The pathophysiology of some trigger factors, such as aspirin, remains unclear. Therapy of anaphylaxis revolves around patient education, avoidance, desensitization or pharmacologic pretreatment when agents causing anaphylaxis need to be readministered, and early recognition and prompt therapy of reactions should they occur. PMID:11862283

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

    Science.gov (United States)

    Liechty, Derek S.; Lewis, Mark J.

    2010-01-01

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

  9. The reduction ring-opening reaction of imidazoline

    Institute of Scientific and Technical Information of China (English)

    史真; 李诤; 白银娟

    2000-01-01

    A new reduction ring-opening reaction of 2-imidazoline with sodium borohydride is reported, and the effect of reaction condition on the yield, reaction mechanism and the use of the new reaction in synthesis of ethylenediamine derivatives are discussed. A new method for the preparation of unsymmetrical substituted ethylenediamine via the reduction ring-opening reaction of imidazoline is provided.

  10. A Case of a Generalized Lichenoid Tattoo Reaction

    OpenAIRE

    Stephanie K Jacks; Zirwas, Matthew J.; Mosser, Joy L.

    2014-01-01

    Cutaneous reactions to tattoos have been increasing in conjunction with the rise in popularity of tattoos. While localized lichenoid reactions to tattoo inks are fairly common, generalized lichenoid reactions are relatively rare. Herein the authors present a case of a generalized lichenoid reaction to a tattoo containing only black ink. They also present a brief discussion of tattoo reactions and treatment options.

  11. Study on the Reaction Mechanism of Naphthalene with Oxalyl Chloride

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The reaction of naphthalene with oxalyl chloride in the presence of anhydrous AlCl3 was investigated. The homolog of dinaphthyl methanone can be obtained mainly from this reaction. Naphthalene conversion does not have evident correlation with the amount of AlCl3. The results show that the reaction proceeds via carbon cation electrophilic substitution reaction-free radical substitution reaction pathway.

  12. The Electronic Flux in Chemical Reactions. Insights on the Mechanism of the Maillard Reaction

    Science.gov (United States)

    Flores, Patricio; Gutiérrez-Oliva, Soledad; Herrera, Bárbara; Silva, Eduardo; Toro-Labbé, Alejandro

    2007-11-01

    The electronic transfer that occurs during a chemical process is analysed in term of a new concept, the electronic flux, that allows characterizing the regions along the reaction coordinate where electron transfer is actually taking place. The electron flux is quantified through the variation of the electronic chemical potential with respect to the reaction coordinate and is used, together with the reaction force, to shed light on reaction mechanism of the Schiff base formation in the Maillard reaction. By partitioning the reaction coordinate in regions in which different process might be taking place, electronic reordering associated to polarization and transfer has been identified and found to be localized at specific transition state regions where most bond forming and breaking occur.

  13. The smallest chemical reaction system with bistability

    Directory of Open Access Journals (Sweden)

    Wilhelm Thomas

    2009-09-01

    Full Text Available Abstract Background Bistability underlies basic biological phenomena, such as cell division, differentiation, cancer onset, and apoptosis. So far biologists identified two necessary conditions for bistability: positive feedback and ultrasensitivity. Results Biological systems are based upon elementary mono- and bimolecular chemical reactions. In order to definitely clarify all necessary conditions for bistability we here present the corresponding minimal system. According to our definition, it contains the minimal number of (i reactants, (ii reactions, and (iii terms in the corresponding ordinary differential equations (decreasing importance from i-iii. The minimal bistable system contains two reactants and four irreversible reactions (three bimolecular, one monomolecular. We discuss the roles of the reactions with respect to the necessary conditions for bistability: two reactions comprise the positive feedback loop, a third reaction filters out small stimuli thus enabling a stable 'off' state, and the fourth reaction prevents explosions. We argue that prevention of explosion is a third general necessary condition for bistability, which is so far lacking discussion in the literature. Moreover, in addition to proving that in two-component systems three steady states are necessary for bistability (five for tristability, etc., we also present a simple general method to design such systems: one just needs one production and three different degradation mechanisms (one production, five degradations for tristability, etc.. This helps modelling multistable systems and it is important for corresponding synthetic biology projects. Conclusion The presented minimal bistable system finally clarifies the often discussed question for the necessary conditions for bistability. The three necessary conditions are: positive feedback, a mechanism to filter out small stimuli and a mechanism to prevent explosions. This is important for modelling bistability with

  14. Is EC class predictable from reaction mechanism?

    Directory of Open Access Journals (Sweden)

    Nath Neetika

    2012-04-01

    Full Text Available Abstract Background We investigate the relationships between the EC (Enzyme Commission class, the associated chemical reaction, and the reaction mechanism by building predictive models using Support Vector Machine (SVM, Random Forest (RF and k-Nearest Neighbours (kNN. We consider two ways of encoding the reaction mechanism in descriptors, and also three approaches that encode only the overall chemical reaction. Both cross-validation and also an external test set are used. Results The three descriptor sets encoding overall chemical transformation perform better than the two descriptions of mechanism. SVM and RF models perform comparably well; kNN is less successful. Oxidoreductases and hydrolases are relatively well predicted by all types of descriptor; isomerases are well predicted by overall reaction descriptors but not by mechanistic ones. Conclusions Our results suggest that pairs of similar enzyme reactions tend to proceed by different mechanisms. Oxidoreductases, hydrolases, and to some extent isomerases and ligases, have clear chemical signatures, making them easier to predict than transferases and lyases. We find evidence that isomerases as a class are notably mechanistically diverse and that their one shared property, of substrate and product being isomers, can arise in various unrelated ways. The performance of the different machine learning algorithms is in line with many cheminformatics applications, with SVM and RF being roughly equally effective. kNN is less successful, given the role that non-local information plays in successful classification. We note also that, despite a lack of clarity in the literature, EC number prediction is not a single problem; the challenge of predicting protein function from available sequence data is quite different from assigning an EC classification from a cheminformatics representation of a reaction.

  15. Reaction Mechanism of the Multi-channel Decomposition Reactions of 1-Pentenyl Free Radicals

    Institute of Scientific and Technical Information of China (English)

    CHENG,Xue-Li; ZHAO,Yan-Yun; LI,Feng; LI,Li-Qing; TAO,Xiu-Jun

    2008-01-01

    The reactions of 1-pentenyl decomposition system have been studied extensively at the B3LYP/6-311++G** level with Gaussion 98 package. The potential energy surface with zero-point energy correction was drawn. All reaction channels were fully investigated with the vibrational mode analysis, frontier orbital analysis and electron population analysis to confirm the transition states and reveal the reaction mechanism.

  16. Improved predictions of nuclear reaction rates with the TALYS reaction code for astrophysical applications

    OpenAIRE

    Goriely, S.; Hilaire, S; Koning, A.J.

    2008-01-01

    Nuclear reaction rates of astrophysical applications are traditionally determined on the basis of Hauser-Feshbach reaction codes. These codes adopt a number of approximations that have never been tested, such as a simplified width fluctuation correction, the neglect of delayed or multiple-particle emission during the electromagnetic decay cascade, or the absence of the pre-equilibrium contribution at increasing incident energies. The reaction code TALYS has been recently updated to estimate t...

  17. An Improved Protocol for the Aldehyde Olefination Reaction Using (bmim ( as Reaction Medium

    Directory of Open Access Journals (Sweden)

    Vivek Srivastava

    2013-01-01

    Full Text Available [Ru(CODCl2]/CuCl2·2H2O/LiCl catalytic system works efficiently in ionic liquid media for aldehyde olefination reaction. It offers good yield and selectivity with the added advantage of 5 times recyclability for [Ru(CODCl2] /CuCl2·2H2O/LiCl catalytic system. We also successfully reduced the reaction time from 12 hours to 9 hours for the aldehyde olefination reaction.

  18. Asymmetric H-D exchange reactions of fluorinated aromatic ketones

    KAUST Repository

    Zhao, Yujun

    2012-01-01

    Chiral bicyclic guanidine catalyzes the asymmetric H-D exchange reactions. Up to 30% ee was achieved. DFT calculations were employed to elucidate and explain the origin of the reaction\\'s stereoselectivity. © 2012 The Royal Society of Chemistry.

  19. Tandem Catalysis Utilizing Olefin Metathesis Reactions.

    Science.gov (United States)

    Zieliński, Grzegorz K; Grela, Karol

    2016-07-01

    Since olefin metathesis transformation has become a favored synthetic tool in organic synthesis, more and more distinct non-metathetical reactions of alkylidene ruthenium complexes have been developed. Depending on the conditions applied, the same olefin metathesis catalysts can efficiently promote isomerization reactions, hydrogenation of C=C double bonds, oxidation reactions, and many others. Importantly, these transformations can be carried out in tandem with olefin metathesis reactions. Through addition of one portion of a catalyst, a tandem process provides structurally advanced products from relatively simple substrates without the need for isolation of the intermediates. These aspects not only make tandem catalysis very attractive from a practical point of view, but also open new avenues in (retro)synthetic planning. However, in the literature, the term "tandem process" is sometimes used improperly to describe other types of multi-reaction sequences. In this Concept, a number of examples of tandem catalysis involving olefin metathesis are discussed with an emphasis on their synthetic value. PMID:27203528

  20. Bibliographic index to photonuclear reaction data

    International Nuclear Information System (INIS)

    This report contains the bibliographic index data on photonuclear reactions and on their inverse ones, in the format similar to CINDA for neutron nuclear data. As photonuclear reactions the electron-induced reaction data are also included. As the inverse reactions considered are those induced by neutron, proton, deuteron, triton, helion and alpha particles. The index covers major journals on nuclear data published in 1995 to 1992, for all nuclides through hydrogen (H) to einsteinium (Es). The bibliographic index contains information on target nucleus, incident beam, type of reaction and quantity, energy range of incident beam, laboratory, type of work, reference citations, first author's name, and short comment. The index also contains the indication for information on cross-section data. All the index data are listed in the order of target element, target, mass and incident particle, and in the chronological order of reference data. Also a brief description is given on the data format, the abbreviations used and the journals surveyed. (author)

  1. The stereodynamics of polyatomic gas phase reactions

    CERN Document Server

    Minayev, D G

    2002-01-01

    OH(OD) quantum state populations, rovibrational quantum state-resolved centre-of-mass angular scattering distributions and HD (H2) co-product internal energy release distributions have been determined for the reaction H + D sub 2 O -> OD(v',j') + HD at mean collision energies close to 1.44 eV and 2.48 eV. The experiments employ pulsed laser photolysis coupled with polarized Doppler-resolved laser induced fluorescence detection of the radical products. Raw experimental data collected in a previous study of the reaction H+H sub 2 O -> OH(v',j') + H sub 2 have been re-analysed for mean collision energy close to 1.44 eV. In addition, rotational populations distributions and alignment parameters for both reactions have been determined in a separate series of experiments. The OH( sup 2 PI sub 1 sub / sub 2 , v' = 0, N' = 1, A') and OD( sup 2 PI sub 1 sub / sub 2 , v' = 0, N' = 1, A') angular distributions generated by the two isotopic reactions are quite distinct: that for the reaction with H sub 2 O shows intensit...

  2. QGSM development for spallation reactions modeling

    Directory of Open Access Journals (Sweden)

    Gudima K.K.

    2012-12-01

    Full Text Available The growing interest in spallation neutron sources, accelerator-driven systems, R&D of rare isotope beams, and development of external beam radiation therapy necessitated the improvement of nuclear reaction models for both stand-alone codes for the analysis of nuclear reactions and event generators within the Monte Carlo transport systems for calculations of interactions of high-energy particles with matter in a wide range of energy and in arbitrary 3D geometry of multicomponent targets. The exclusive approach to the description of nuclear reactions is the most effective for detailed calculation of inelastic interactions with atomic nuclei. It provides the correct description of particle production, single- and double-differential spectra, recoil, and fission product yields. This approach has been realized in the Quark Gluon String Model (QGSM for nuclear reactions induced by photons, hadrons, and high energy heavy ions. In this article, improved versions of the QGSM model and a corresponding code have been developed tested and bench marked against experimental data for neutron production in spallation reactions on thin and thick targets in the energy range from a few MeV to several GeV/nucleon.

  3. Aerosol simulation including chemical and nuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Marwil, E.S.; Lemmon, E.C.

    1985-01-01

    The numerical simulation of aerosol transport, including the effects of chemical and nuclear reactions presents a challenging dynamic accounting problem. Particles of different sizes agglomerate and settle out due to various mechanisms, such as diffusion, diffusiophoresis, thermophoresis, gravitational settling, turbulent acceleration, and centrifugal acceleration. Particles also change size, due to the condensation and evaporation of materials on the particle. Heterogeneous chemical reactions occur at the interface between a particle and the suspending medium, or a surface and the gas in the aerosol. Homogeneous chemical reactions occur within the aersol suspending medium, within a particle, and on a surface. These reactions may include a phase change. Nuclear reactions occur in all locations. These spontaneous transmutations from one element form to another occur at greatly varying rates and may result in phase or chemical changes which complicate the accounting process. This paper presents an approach for inclusion of these effects on the transport of aerosols. The accounting system is very complex and results in a large set of stiff ordinary differential equations (ODEs). The techniques for numerical solution of these ODEs require special attention to achieve their solution in an efficient and affordable manner. 4 refs.

  4. Reactions on carbon anodes in aluminium electrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Eidet, Trygve

    1997-12-31

    The consumption of carbon anodes and energy in aluminium electrolysis is higher than what is required theoretically. This thesis studies the most important of the reactions that consume anode materials. These reactions are the electrochemical anode reaction and the airburn and carboxy reactions. The first part of the thesis deals with the kinetics and mechanism of the electrochemical anode reaction using electrochemical impedance spectroscopy. The second part deals with air and carboxy reactivity of carbon anodes and studies the effects of inorganic impurities on the reactivity of carbon anodes in the aluminium industry. Special attention is given to sulphur since its effect on the carbon gasification is not well understood. Sulphur is always present in anodes, and it is expected that the sulphur content of available anode cokes will increase in the future. It has also been suggested that sulphur poisons catalyzing impurities in the anodes. Other impurities that were investigated are iron, nickel and vanadium, which are common impurities in anodes which have been reported to catalyze carbon gasification. 88 refs., 92 figs., 24 tabs.

  5. Reactions of NO with nitrogen hydrides x

    Science.gov (United States)

    Mebel, A. M.; Lin, M. C.

    In this review, we consider the reactions of NO ( x 1,2) with the nitrogen x hydrides NH, NH and NH . The reactions are relevant to the post-combustion, non-catalytic reduction of NO with NH in the thermal de-NO process and with x x HNCO in the rapid reduction of NO as well as to the thermal decomposition of x some high-energy materials, including ammonium dinitramide. The practical importance has motivated considerable theoretical interest in these reactions. We review numerous ab - initio molecular orbital studies of potential energy surfaces for NO NH and theoretical calculations of their kinetic parameters, such as x y thermal rate constants and branching ratios of various products. The most advanced theoretical calculations are carried out using the Gaussian-2 family of methods which provides the chemical accuracy (within 2 kcal mol ) for the energetics and molecular parameters of the reactants, products, intermediates and transition states. We present a detailed comparison of the theoretical results with available experimental data. We show that the reactions of NO with NH and NH x are very fast because they occur without a barrier and lead to the formation of multiple products which include radicals and stable molecules. The reactions of NO with NH , taking place by the H abstraction to form NH and HNO , are slow x x but still relevant to the NH de-NO system, because of their fast reverse processes x which have not yet been measured experimentally.

  6. Hydrogen electrode reaction: A complete kinetic description

    Energy Technology Data Exchange (ETDEWEB)

    Quaino, P.M. [Programa de Electroquimica Aplicada e Ingenieria Electroquimica (PRELINE), Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santiago del Estero 2829, 3000 Santa Fe (Argentina); Gennero de Chialvo, M.R. [Programa de Electroquimica Aplicada e Ingenieria Electroquimica (PRELINE), Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santiago del Estero 2829, 3000 Santa Fe (Argentina); Chialvo, A.C. [Programa de Electroquimica Aplicada e Ingenieria Electroquimica (PRELINE), Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santiago del Estero 2829, 3000 Santa Fe (Argentina)]. E-mail: achialvo@fiqus.unl.edu.ar

    2007-09-15

    The kinetic description of the hydrogen electrode reaction (HER) in the whole range of overpotentials (-0.2 < {eta} (V) < 0.40) is presented. The Volmer-Heyrovsky-Tafel mechanism was solved considering simultaneously the following items: (i) the diffusional contribution of the molecular hydrogen from and towards the electrode surface, (ii) the forward and backward reaction rates of each elementary step and (iii) a Frumkin type adsorption for the reaction intermediate. In order to verify the descriptive capability of the kinetic expressions derived, an experimental study of the HER was carried out on a rotating platinum disc electrode in acid solution. From the correlation of these results the elementary kinetic parameters were evaluated and several aspects related to the kinetic mechanism were discussed. Finally, the use of these kinetic expressions to interpret results obtained on microelectrodes is also analysed.

  7. Ubiquitous ``glassy'' relaxation in catalytic reaction networks

    Science.gov (United States)

    Awazu, Akinori; Kaneko, Kunihiko

    2009-10-01

    Study of reversible catalytic reaction networks is important not only as an issue for chemical thermodynamics but also for protocells. From extensive numerical simulations and theoretical analysis, slow relaxation dynamics to sustain nonequlibrium states are commonly observed. These dynamics show two types of salient behaviors that are reminiscent of glassy behavior: slow relaxation along with the logarithmic time dependence of the correlation function and the emergence of plateaus in the relaxation-time course. The former behavior is explained by the eigenvalue distribution of a Jacobian matrix around the equilibrium state that depends on the distribution of kinetic coefficients of reactions. The latter behavior is associated with kinetic constraints rather than metastable states and is due to the absence of catalysts for chemicals in excess and the negative correlation between two chemical species. Examples are given and generality is discussed with relevance to bottleneck-type dynamics in biochemical reactions as well.

  8. From Catalytic Reaction Networks to Protocells

    Science.gov (United States)

    Kaneko, Kunihiko

    2013-12-01

    In spite of recent advances, there still remains a large gape between a set of chemical reactions and a biological cell. Here we discuss several theoretical efforts to fill in the gap. The topics cover (i) slow relaxation to equilibrium due to glassy behavior in catalytic reaction networks (ii) consistency between molecule replication and cell growth, as well as energy metabolism (iii) control of a system by minority molecules in mutually catalytic system, which work as a carrier of genetic information, and leading to evolvability (iv) generation of a compartmentalized structure as a cluster of molecules centered around the minority molecule, and division of the cluster accompanied by the replication of minority molecule (v) sequential, logical process over several states from concurrent reaction dynamics, by taking advantage of discreteness in molecule number.

  9. Markovian Dynamics on Complex Reaction Networks

    CERN Document Server

    Goutsias, John

    2012-01-01

    Complex networks, comprised of individual elements that interact with each other through reaction channels, are ubiquitous across many scientific and engineering disciplines. Examples include biochemical, pharmacokinetic, epidemiological, ecological, social, neural, and multi-agent networks. A common approach to modeling such networks is by a master equation that governs the dynamic evolution of the joint probability mass function of the underling population process and naturally leads to Markovian dynamics for such process. Due however to the nonlinear nature of most reactions, the computation and analysis of the resulting stochastic population dynamics is a difficult task. This review article provides a coherent and comprehensive coverage of recently developed approaches and methods to tackle this problem. After reviewing a general framework for modeling Markovian reaction networks and giving specific examples, the authors present numerical and computational techniques capable of evaluating or approximating...

  10. Identifying Reaction Pathways and their Environments

    DEFF Research Database (Denmark)

    Maronsson, Jon Bergmann

    2012-01-01

    Finding the mechanisms and estimating the rate of chemical reactions is an essential part of modern research of atomic scale systems. In this thesis, the application of well established methods for reaction rates and paths to important systems for hydrogen storage is considered before developing...... developed. Information about the ridge can be used to test the validity of the harmonic approximation to transition state theory for reaction rates, in particular to verify that second order saddle points - maxima along the ridge - are high enough compared to the first order saddle points. Furthermore......)2 and Mg(BH4)2, experiments on low temperature rotational dynamics were performed. The work presented here revolved around assisting in the data analysis by performing density functional theory calculations on the possible dynamical events. For the Mg(BH4)2, in good agreement with the experiments, C2...

  11. Reactions analysis of di-pions production

    International Nuclear Information System (INIS)

    After a discussion of ambiguities in the methods used to obtain informations on the ππ diffusion from the reaction π-p→π+π-n with unpolarized targets, a model-independent method is proposed to determine experimentally the cross section for the S-wave production in the reaction π+p→π+π-Δ++. Comparing the S-wave di-pion production in the ζ-mass region from the recent experimental results on the reactions π+p→π=π-Δ++ and π-p→π-π+n on a polarized target, it is found that the amount of S-wave production is generally consistent with the lower bound obtained from the di-pion decay moments

  12. Atom addition reactions in interstellar ice analogues

    CERN Document Server

    Linnartz, Harold; Fedoseev, Gleb

    2015-01-01

    This review paper summarizes the state-of-the-art in laboratory based interstellar ice chemistry. The focus is on atom addition reactions, illustrating how water, carbon dioxide and methanol can form in the solid state at astronomically relevant temperatures, and also the formation of more complex species such as hydroxylamine, an important prebiotic molecule, and glycolaldehyde, the smallest sugar, is discussed. These reactions are particularly relevant during the dark ages of star and planet formation, i.e., when the role of UV light is restricted. A quantitative characterization of such processes is only possible through dedicated laboratory studies, i.e., under full control of a large set of parameters such as temperature, atom-flux, and ice morphology. The resulting numbers, physical and chemical constants, e.g., barrier heights, reaction rates and branching ratios, provide information on the molecular processes at work and are needed as input for astrochemical models, in order to bridge the timescales t...

  13. Isothermal Titration Calorimetry to Characterize Enzymatic Reactions.

    Science.gov (United States)

    Mazzei, Luca; Ciurli, Stefano; Zambelli, Barbara

    2016-01-01

    Isothermal titration calorimetry (ITC) is a technique that measures the heat released or absorbed during a chemical reaction as an intrinsic probe to characterize any chemical process that involves heat changes spontaneously occurring during the reaction. The general features of this method to determine the kinetic and thermodynamic parameters of enzymatic reactions (kcat, KM, ΔH) are described and discussed here together with some detailed applications to specific cases. ITC does not require any modification or labeling of the system under analysis, can be performed in solution, and needs only small amounts of enzyme. These properties make ITC an invaluable, powerful, and unique tool to extend the knowledge of enzyme kinetics to drug discovery.

  14. Oscillatory reactions on single crystal surfaces

    Science.gov (United States)

    Imbihl, R.

    1993-12-01

    Heterogeneous catalytic reactions exhibit under certain conditions kinetic oscillations which have been investigated both with polycrystalline materials and with single crystal surfaces as catalysts. The present paper reviews single-crystal experiments conducted under isothermal, low pressure conditions ( p Turing structures and the appearance of deterministic chaos, and chemical turbulence. The mechanistic steps leading to the observed phenomena have been investigated and appropriate mathematical models have been formulated and analyzed using bifurcation theory. The driving force for the rate oscillations has been shown to result from structural changes of the substrate in the case of catalytic CO oxidation on Pt surfaces, subsurface oxygen formation in the case of catalytic CO oxidation on Pd surfaces, and in the chemical reaction network described by a vacancy model in the case of the NO reduction reactions.

  15. Prompt processes in heavy ion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Blann, M.; Remington, B.A.

    1987-12-01

    We test a relaxation model based on two body nucleon-nucleon scattering processes to interpret phenomena observed in heavy ion reactions. We use the Boltzmann Master Equation to accomplish this. By assuming that the projectile nucleons partition the total excitation with equal a-priori probability of all configurations, we are able to reproduce several sets of neutron spectra from /sup 20/Ne and /sup 12/C induced reactions on /sup 165/Ho and from reactions of /sup 40/Ar or /sup 40/Ca. We point out ambiguities in deducing angle-integrated energy spectra from double differential spectra. With no additional free parameters, our model successfully reproduces a large body of high energy ..gamma..-ray spectra by assuming an incoherent n-p-bremsstrahlung mechanism. 45 refs., 13 figs.

  16. CEO Turnover and Market Reaction in Indonesia

    Directory of Open Access Journals (Sweden)

    Doddy Setiawan

    2013-07-01

    Full Text Available This research examines Chief Executive Officer (CEO turnover and market reaction in Indonesia. The sample of this research consists of 213 CEO turnover announcements for Indonesia Stock Exchange during 2000–2010 period. T-tests were used to investigate the effect of CEO turnover announcement on abnormal stock return during the event windows periods. The results of this research show that there is positive reaction on the CEO turnover announcements. This research considers both routine and non routine CEO turnover processes. This research finds that both turnover processes have information content to investor. This research also finds positive reaction on the announcements of outsider incoming CEO, while investors do not react on the announcement of insider incoming CEO. Thus, this research provides evidence that CEO turnover announcement have information content.   Keywords: CEO turnover, stock price, turnover process, the origin of incoming CEO

  17. Porphyrins as Catalysts in Scalable Organic Reactions.

    Science.gov (United States)

    Barona-Castaño, Juan C; Carmona-Vargas, Christian C; Brocksom, Timothy J; de Oliveira, Kleber T

    2016-01-01

    Catalysis is a topic of continuous interest since it was discovered in chemistry centuries ago. Aiming at the advance of reactions for efficient processes, a number of approaches have been developed over the last 180 years, and more recently, porphyrins occupy an important role in this field. Porphyrins and metalloporphyrins are fascinating compounds which are involved in a number of synthetic transformations of great interest for industry and academy. The aim of this review is to cover the most recent progress in reactions catalysed by porphyrins in scalable procedures, thus presenting the state of the art in reactions of epoxidation, sulfoxidation, oxidation of alcohols to carbonyl compounds and C-H functionalization. In addition, the use of porphyrins as photocatalysts in continuous flow processes is covered. PMID:27005601

  18. A taxonomy of integral reaction path analysis

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-12-23

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

  19. Heterogeneous Metal Catalysts for Oxidation Reactions

    Directory of Open Access Journals (Sweden)

    Md. Eaqub Ali

    2014-01-01

    Full Text Available Oxidation reactions may be considered as the heart of chemical synthesis. However, the indiscriminate uses of harsh and corrosive chemicals in this endeavor are threating to the ecosystems, public health, and terrestrial, aquatic, and aerial flora and fauna. Heterogeneous catalysts with various supports are brought to the spotlight because of their excellent capabilities to accelerate the rate of chemical reactions with low cost. They also minimize the use of chemicals in industries and thus are friendly and green to the environment. However, heterogeneous oxidation catalysis are not comprehensively presented in literature. In this short review, we clearly depicted the current state of catalytic oxidation reactions in chemical industries with specific emphasis on heterogeneous catalysts. We outlined here both the synthesis and applications of important oxidation catalysts. We believe it would serve as a reference guide for the selection of oxidation catalysts for both industries and academics.

  20. Reactions of psychiatric patients to telepsychiatry

    Directory of Open Access Journals (Sweden)

    Robbie Campbell

    2015-10-01

    Full Text Available Telepsychiatry could offer a viable medical service to remote or isolated social communities if it does not generate adverse reactions such as delusional ideation, particularly in patients in settlements without adequate exposure to mainstream culture and internet. We examined subjective reactions to telepsychiatry of randomly selected 84 psychiatric patients from remote locations in Ontario, Canada. They rated the quality of their teleconferencing sessions via 10 item questionnaire and were asked about advantages and disadvantages of telepsychiatry. The majority of patients indicated that they were able to communicate as if physically present (92.9% and were comfortable with telepsychiatric service (95.2%. They found the sessions as beneficial as direct meetings with their psychiatrist (84.5% and would use this service again (98.8%. There were no instances of telepsychiatry being associated with adverse reactions in patients from remote communities with inadequate exposure to modern mainstream culture and internet.

  1. Reactions of Psychiatric Patients to Telepsychiatry.

    Science.gov (United States)

    Campbell, Robbie; O'Gorman, Jennifer; Cernovsky, Zack Z

    2015-09-30

    Telepsychiatry could offer a viable medical service to remote or isolated social communities if it does not generate adverse reactions such as delusional ideation, particularly in patients in settlements without adequate exposure to mainstream culture and internet. We examined subjective reactions to telepsychiatry of randomly selected 84 psychiatric patients from remote locations in Ontario, Canada. They rated the quality of their teleconferencing sessions via 10 item questionnaire and were asked about advantages and disadvantages of telepsychiatry. The majority of patients indicated that they were able to communicate as if physically present (92.9%) and were comfortable with telepsychiatric service (95.2%). They found the sessions as beneficial as direct meetings with their psychiatrist (84.5%) and would use this service again (98.8%). There were no instances of telepsychiatry being associated with adverse reactions in patients from remote communities with inadequate exposure to modern mainstream culture and internet. PMID:26605038

  2. Reaction-Diffusion Automata Phenomenology, Localisations, Computation

    CERN Document Server

    Adamatzky, Andrew

    2013-01-01

    Reaction-diffusion and excitable media are amongst most intriguing substrates. Despite apparent simplicity of the physical processes involved the media exhibit a wide range of amazing patterns: from target and spiral waves to travelling localisations and stationary breathing patterns. These media are at the heart of most natural processes, including morphogenesis of living beings, geological formations, nervous and muscular activity, and socio-economic developments.   This book explores a minimalist paradigm of studying reaction-diffusion and excitable media using locally-connected networks of finite-state machines: cellular automata and automata on proximity graphs. Cellular automata are marvellous objects per se because they show us how to generate and manage complexity using very simple rules of dynamical transitions. When combined with the reaction-diffusion paradigm the cellular automata become an essential user-friendly tool for modelling natural systems and designing future and emergent computing arch...

  3. Multidimensional Electronic Spectroscopy of Photochemical Reactions.

    Science.gov (United States)

    Nuernberger, Patrick; Ruetzel, Stefan; Brixner, Tobias

    2015-09-21

    Coherent multidimensional electronic spectroscopy can be employed to unravel various channels in molecular chemical reactions. This approach is thus not limited to analysis of energy transfer or charge transfer (i.e. processes from photophysics), but can also be employed in situations where the investigated system undergoes permanent structural changes (i.e. in photochemistry). Photochemical model reactions are discussed by using the example of merocyanine/spiropyran-based molecular switches, which show a rich variety of reaction channels, in particular ring opening and ring closing, cis-trans isomerization, coherent vibrational wave-packet motion, radical ion formation, and population relaxation. Using pump-probe, pump-repump-probe, coherent two-dimensional and three-dimensional, triggered-exchange 2D, and quantum-control spectroscopy, we gain intuitive pictures on which product emerges from which reactant and which reactive molecular modes are associated. PMID:26382095

  4. Theory of reactions at electrified interfaces.

    Science.gov (United States)

    Lück, Jessica; Latz, Arnulf

    2016-07-21

    Interfacial reaction and transport processes are a decisive factor for the overall performance of electrochemical systems. However, existing models rely on phenomenological descriptions of charged interfaces, which yields no deeper insights. We present a generic theory to describe charge and electron transfer reactions at charged interfaces, which is applicable to different electrochemical systems, like fuel cells or batteries with liquid or solid electrolytes. In the present work, our general theory is adopted to the electrochemical double layer at the interface between a solid electrode and a liquid electrolyte. The model allows to describe the intercalation reaction in Li-ion insertion batteries as a two-step process, consisting of a first desolvation and adsorption and a second actual insertion step. It becomes apparent that a charging of the double layer acts as the necessary driving force for the charge transfer across the interface. PMID:27215943

  5. [Electromagnetic studies of nuclear structure and reactions

    International Nuclear Information System (INIS)

    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 16O(e,e'p), 12C(e,e'pp) progress, large acceptance detector physics simulations), giant resonance studies (intermediate-energy experiments with solid-state detectors, the third response function in 12C(e,e'p0) and 16O(e,e'p0), comparison of the 12C(e, e'p0) and 16O(e,e'p3) reactions, quadrupole strength in the 16O(e,e'α0) reaction, quadrupole strength in the 12C(e,e'α) reaction, analysis of the 12C(e,e'p1) and 16O(e,e'p3) angular distributions, analysis of the 40Ca(e,e'x) reaction at low q, analysis of the higher-q 12C(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)

  6. Tropical Pulmonary Eosinophilia with Eosinophilic Leukemoid Reaction

    Directory of Open Access Journals (Sweden)

    Manish Kumar

    2016-03-01

    Full Text Available A 7 year-old male presented with recurrent fever, cough and respiratory distress for over last 2 years. Based on extremely high eosinophil count, high Immunoglobulin E, increase in eosinophilic precursors in bone marrow, and positive antigen test for Wuchereria bancrofti, a diagnosis of Tropical Pulmonary Eosinophilia with Eosinophilic Leukemoid Reaction was made. Complete recovery was achieved with Diethylcarbamazine for 3 weeks. We are reporting this case as the first case of Tropical pulmonary eosinophilia with eosinophilic leukemoid reaction in a child.

  7. High energy photons production in nuclear reactions

    International Nuclear Information System (INIS)

    Hard photon production, in nucleus-nucleus collisions, were studied at beam energies between 10 and 125 MeV. The main characteristics of the photon emission are deduced. They suggest that the neutron-proton collisions in the early stage of the reaction are the main source of high energy gamma-rays. An overview of the theoretical approaches is given and compared with experimental results. Theoretical attempts to include the contribution of charged pion exchange currents to photon production, in calculations of proton-nucleus-gamma and nucleus-nucleus-gamma reactions, showed suitable fitting with experimental data

  8. Minimum Energy Pathways for Chemical Reactions

    Science.gov (United States)

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

    1995-01-01

    Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives useful results for a number of chemically important systems. The talk will focus on a number of applications to reactions leading to NOx and soot formation in hydrocarbon combustion.

  9. Electromagnetic reactions and few-nucleon dynamics

    International Nuclear Information System (INIS)

    We present an update on recent theoretical studies of electromagnetic reactions obtained by using the Lorentz integral transform method. The 4He nucleus will be the main focus of this report: results for the photo-disintegration and the electro-disintegration processes will be shown, as well as a recent calculation of polarizability effects in muonic atoms. We also discuss the exciting possibility to investigate inelastic reactions for medium mass nuclei in coupled-cluster theory, highlighted by the recent application to the 16O photo-nuclear cross section. (author)

  10. Quantum Back Reaction on a Classical Field

    CERN Document Server

    Brout, R; Popescu, S; Parentani, R; Spindel, P; Spindel, Ph.

    1995-01-01

    We show how to apply post selection in the context of weak measurement of Aharonov and collaborators to construct the quantum back reaction on a classical field. The particular case which we study in this paper is pair creation in an external electric field and the back reaction is the counter field produced by the pair \\underline {as} it is made. The construction leads to a complex electric field obtained from non diagonal matrix elements of the current operator, the interpretation of which is clear in terms of weak measurement. The analogous construction applied to black hole physics (thereby leading to a complex metric) is relegated to a future paper.

  11. Electromagnetic Reactions and Few-Nucleon Dynamics

    Directory of Open Access Journals (Sweden)

    Bacca Sonia

    2014-03-01

    Full Text Available We present an update on recent theoretical studies of electromagnetic reactions obtained by using the Lorentz integral transform method. The 4He nucleus will be the main focus of this report: results for the photo-disintegration and the electro-disintegration processes will be shown, as well as a recent calculation of polarizability effects in muonic atoms. We also discuss the exciting possibility to investigate inelastic reactions for mediummass nuclei in coupled-cluster theory, highlighted by the recent application to the 16O photo-nuclear cross section.

  12. Study of fusion reactions forming Cf nuclei

    Directory of Open Access Journals (Sweden)

    Khuyagbaatar J.

    2013-12-01

    Full Text Available 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 34S+208Pb in comparison to 36S+206Pb; both reactions lead to the compound nucleus 242Cf*.The mass and angle distributions of the fission fragments from these reactions were studied in order to further investigate the presence of quasi-fission.

  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. The application of reaction engineering to biocatalysis

    DEFF Research Database (Denmark)

    Ringborg, Rolf Hoffmeyer; Woodley, John

    2016-01-01

    Biocatalysis is a growing area of synthetic and process chemistry with the ability to deliver not only improved processes for the synthesis of existing compounds, but also new routes to new compounds. In order to assess the many options and strategies available to an engineer developing a new...... outline the benefits of reaction engineering in this development process, with particular emphasis of reaction kinetics. Future research needs to focus on rapid methods to collect such data at sufficient accuracy that it can be used forthe effective design of new biocatalytic processes....

  15. Organocatalytic Domino-methylenation/Diels-Alder Reactions

    Institute of Scientific and Technical Information of China (English)

    Andreas; Goeke

    2007-01-01

    1 Results Organocatalytic reactions are currently very much en vogue as the term implies a connotation of ecologically benign chemistry.In addition,beautiful new results have been achieved over the last few years which triggered a dramatic increase in publications[1].Related to this topic is the catalysis of organic transformations by hydrogen bond donors and organic Brnsted acids[2].From an industrial point of view,these reactions can be beneficial when performed in water in high concentration,prerequ...

  16. Catalytic reaction in confined flow channel

    Energy Technology Data Exchange (ETDEWEB)

    Van Hassel, Bart A.

    2016-03-29

    A chemical reactor comprises a flow channel, a source, and a destination. The flow channel is configured to house at least one catalytic reaction converting at least a portion of a first nanofluid entering the channel into a second nanofluid exiting the channel. The flow channel includes at least one turbulating flow channel element disposed axially along at least a portion of the flow channel. A plurality of catalytic nanoparticles is dispersed in the first nanofluid and configured to catalytically react the at least one first chemical reactant into the at least one second chemical reaction product in the flow channel.

  17. A comprehensive survey of nuclear reactions

    International Nuclear Information System (INIS)

    The various mechanisms of nuclear reactions are surveyed and classified in different regimes, based on the notions of coherent mechanisms and hard versus soft processes. The emphasis is put on the concepts at the basis of the understanding of these regimes and on the elements of nuclear structure which are involved in these different regimes, as well as the on the possibility of extracting this information. Due to lack of space and for pedagogical reasons, the discussion is limited to nucleon-induced and light-ion-induced reactions. However, a few remarks are given concerning some specific probes, such as weakly bound projectiles or neutron-rich nuclei. (author)

  18. Neutrino Capture Reactions on $^{40}$Ar

    CERN Document Server

    Suzuki, Toshio

    2012-01-01

    Gamow-Teller (GT) strength in $^{40}$Ar is studied by shell-model calculations with monopole-based universal intearction, which has tensor components of $\\pi$\\rho$-meson exchanges. Calculated GT strength is found to be consistent with the experimental data obtained by recent ($p, n$) reactions. Neutrino capture cross sections on $^{40}$Ar for solar neutrinos from $^{8}$B are found to be enhanced compared with previous calculations. The reaction cross sections for multipoles other than $0^{+}$ and $1^{+}$ are obtained by random-phase approximation (RPA). Their contributions become important for neutrino energies larger than 50 MeV.

  19. Spur Reaction Model of Positronium Formation

    DEFF Research Database (Denmark)

    Mogensen, O. E.

    1974-01-01

    A new model of positronium (Ps) formation is proposed. Positronium is assumed to be formed by a reaction between a positron and an electron in the positron spur. Ps formation must compete with electron‐ion recombination and electron or positron reactions with solvent molecules and scavenger...... impurities. It is also influenced by electron and positron solvation. The model correlates the measured Ps formation probabilities with the spur electron properties determined in radiation chemistry. The predictions of the model are shown to be in good agreement with experimental results for liquids and...

  20. An electrostatic deflector for a fusion reaction

    Institute of Scientific and Technical Information of China (English)

    ZHANG Huan-Qiao; LIN Cheng-Jian; YANG Feng; JIA Hui-Ming; ZHOU Ping; AN Guang-Peng; ZHANG Chun-Lei; XU Xin-Xing

    2010-01-01

    An electrostatic deflector for separating the fusion evaporation residues from the beam-like products in heavy ion reactions was installed.The evaporation residue separation and identification with the electrostatic deflector setup was tested with the reaction 32S+96Zr at several energies.The fusion evaporation residues and the beam-like particles were well separated after the electrical separation and the experimental fusion cross section obtained from the angular distribution is in good agreement with the calculated value well above the Coulomb barrier.This confirms the reliability of the setup.

  1. Chiral Diamine-catalyzed Asymmetric Aldol Reaction

    Institute of Scientific and Technical Information of China (English)

    LI Hui; XU Da-zhen; WU Lu-lu; WANG Yong-mei

    2012-01-01

    A highly efficient catalytic system composed of a simple and commercially available chiral primary diamine (1R,2R)-cyclohexane-1,2-diamine(6) and trifluoroacetic acid(TFA) was employed for asymmetric Aldol reaction in i-PrOH at room temperature.A loading of 10%(molar fraction) catalyst 6 with TFA as a cocatalyst could catalyze the Aldol reactions of various ketones or aldehydes with a series of aromatic aldehydes,furnishing Aldol products in moderate to high yields(up to >99%) with enantioselectivities of up to >99% and diastereoselectivities of up to 99:1.

  2. Heavy ion fusion and fission reactions

    International Nuclear Information System (INIS)

    Various methods of probing the partial wave distribution are reviewed and new results using fission fragment angular distributions are discussed. Evidence that existing models of fusion reactions near-barrier and sub-barrier energies underestimate the mean-square spin values are presented. The dynamics of fusion reactions at higher energies are also discussed. The controversy over the interpretation of fission fragment and angular distributions are reviewed. Both statistical scission models and dynamical models with incomplete K mixing are discussed. New developments related to the effective moment of inertia of the saddlepoint shape are presented

  3. Reaction-diffusion pulses: a combustion model

    Energy Technology Data Exchange (ETDEWEB)

    Campos, Daniel [Grup de FIsica EstadIstica, Dept. de FIsica, Universitat Autonoma de Barcelona, E-08193 Bellaterrra (Spain); Llebot, Josep Enric [Grup de FIsica EstadIstica, Dept. de FIsica, Universitat Autonoma de Barcelona, E-08193 Bellaterrra (Spain); Fort, Joaquim [Dept. de FIsica, Univ. de Girona, Campus de Montilivi, 17071 Girona, Catalonia (Spain)

    2004-07-02

    We focus on a reaction-diffusion approach proposed recently for experiments on combustion processes, where the heat released by combustion follows first-order reaction kinetics. This case allows us to perform an exhaustive analytical study. Specifically, we obtain the exact expressions for the speed of the thermal pulses, their maximum temperature and the condition of self-sustenance. Finally, we propose two generalizations of the model, namely, the case of several reactants burning together, and that of time-delayed heat conduction. We find an excellent agreement between our analytical results and simulations.

  4. Dynamical Model of Weak Pion Production Reactions

    CERN Document Server

    Sato, T; Lee, T S H

    2003-01-01

    The dynamical model of pion electroproduction has been extended to investigate the weak pion production reactions. The predicted cross sections of neutrino-induced pion production reactions are in good agreement with the existing data. We show that the renormalized(dressed) axial N-$\\Delta$ form factor contains large dynamical pion cloud effects and this renormalization effects are crucial in getting agreement with the data. We conclude that the N-$\\Delta$ transitions predicted by the constituent quark model are consistent with the existing neutrino induced pion production data in the $\\Delta$ region.

  5. Reactions of oxidation of plutonium metal

    International Nuclear Information System (INIS)

    The investigation into preparation of the powdery plutonium oxides under the reaction of metal plutonium with moist (5 % H2O) air and moist (5 % H2O) argon was carried out. The kinetic dependences in the 250 - 400 Deg C range are demonstrated. The vicissitude of the oxidation is shown, the activation energy is calculated for every stage. The mechanism of the metal plutonium oxidation is proposed. The obtained plutonium oxides were shown to have a high reaction ability at 300 - 400 Deg C in the moist air and moist argon media, and to be feasible for the further chemical treatment - dissolving in nitric acid, fluorination and chlorination

  6. Neutrino reactions in hot and dense matter

    Energy Technology Data Exchange (ETDEWEB)

    Lohs, Andreas

    2015-04-13

    In this thesis, neutrino reactions in hot and dense matter are studied. In particular, this work is concerned with neutrino-matter interactions that are relevant for neutrino transport in core-collapse supernovae (CCSNe). The majority of the energy from a CCSN is released in the form of neutrinos. Accurate understanding and computation of these interactions is most relevant to achieve sufficiently reliable predictions for the evolution of CCSNe and other related question such as the production of heavy elements or neutrino oscillations. For this purpose this work follows the combined approach of searching for new important neutrino reactions and improving the computation of those reactions that are already implemented. First we estimate the relevance of charged-current weak interactions that include muon-neutrinos or muons, as well as the role of neutron decay for neutrino transport in CCSNe. All of these reactions were previously neglected in CCSN-simulations. We derive and compute the matrix element and subsequent semi-analytic expressions for transport properties like the inverse mean free path of the new reactions. It is found that these reactions are important for muon neutrinos and low energy electron antineutrinos at very high densities in the protoneutron star surface. Consequently their implementation might lead to several changes in the prediction of CCSNe signatures such as the nucleosynthesis yields. Second we improve the precision in the computation of well known neutrino-nucleon reactions like neutrino absorption on neutrons. We derive semi-analytic expressions for transport properties that use less restrictive approximations while keeping the computational demand constant. Therefore we consider the full relativistic kinematics of all participating particles i.e. allowing for relativistic nucleons and finite lepton masses. Also the weak magnetism terms of the matrix elements are explicitly included to all orders. From our results we suggest that the

  7. Systemic allergic reaction to pine nuts.

    Science.gov (United States)

    Nielsen, N H

    1990-02-01

    This case report describes a systemic reaction due to ingestion of pine nuts, confirmed by an open, oral provocation test. Skin prick testing with the aqueous allergen revealed an immediate positive prick test, and histamine release from basophil leukocytes to the aqueous allergen was demonstrated. Radioallergosorbent test demonstrated specific IgE antibodies to pine nuts. In a review of medical literature, we found no reports of either oral provocation tests confirming a systemic reaction due to ingestion of pine nuts or demonstration of specific IgE antibodies.

  8. Electromagnetic Reactions and Few-Nucleon Dynamics

    CERN Document Server

    Bacca, Sonia

    2013-01-01

    We present an update on recent theoretical studies of electromagnetic reactions obtained by using the Lorentz integral transform method. The 4He nucleus will be the main focus of this report: results for the photo-disintegration and the electro-disintegration processes will be shown, as well as a recent calculation of polarizability effects in muonic atoms. We also discuss the exciting possibility to investigate inelastic reactions for medium-mass nuclei in coupled-cluster theory, highlighted by the recent application to the 16O photo-nuclear cross section.

  9. The analysis of Al-based alloys by calorimetry: quantitative analysis of reactions and reaction kinetics

    OpenAIRE

    Starink, M.J.

    2004-01-01

    Differential scanning calorimetry (DSC) and isothermal calorimetry have been applied extensively to the analysis of light metals, especially Al based alloys. Isothermal calorimetry and differential scanning calorimetry are used for analysis of solid state reactions, such as precipitation, homogenisation, devitrivication and recrystallisation; and solid–liquid reactions, such as incipient melting and solidification, are studied by differential scanning calorimetry. In producing repeatable calo...

  10. A dynamical theory of incomplete fusion reactions: The breakup-fusion reaction approach

    International Nuclear Information System (INIS)

    A dynamical theory of partial fusion reactions is presented, which may fill the gap between direct and compound nuclear reaction theories. With the new theory one can calculate partial fusion taking place in three-body (and many more) channels reached via direct reactions, e.g., breakup and knockout reactions. The authors present first the results for the cross section for such reactions, taking as an example breakup followed by fusion. They then discuss a physical picture which emerges from their theory, namely that the partial fusion reactions, particularly of the massive-transfer type, take place in a so-called deep peripheral region. It is also shown that the deep peripheral character of such processes diminishes as the mass of the fused system decreases, so that the reactions essentially evolve to the usual peripheral character. Finally, comparisons are made of results of numerical calculations with experimental data, taking as an example the /sup 159/Tb(/sup 14/N,α) reaction with E/sub lab/ = 95 MeV

  11. Safe design of cooled tubular reactors for exothermic multiple reactions: Multiple-reaction networks

    NARCIS (Netherlands)

    Westerink, E.J.; Westerterp, K.R.

    1988-01-01

    The model of the pseudo-homogeneous, one-dimensional cooled tubular reactor is applied to a multiple-reaction network. It is demonstrated for a network which consists of two parallel and two consecutive reactions. Three criteria are developed to obtain an integral yield which does not deviate more t

  12. 1,3,5-Triethylbenzene Transformation Reactions Compared to Its Transalkylation Reaction with Ethylbenzene

    KAUST Repository

    Akhtar, M. Naseem

    2009-08-20

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

  13. Reaction mechanisms for the synthesis of the heaviest elements from heavy ion reactions

    International Nuclear Information System (INIS)

    This review paper concerns fusion reactions with light heavy-ions, cold fusion, transfer reactions using light heavy-ions or heavy ions. In two appendices, methods for the separation and detection of nuclides in the domain of heaviest elements are described and a comment on the discovery of the element 104 is given. 51 figs., 10 tabs., 335 refs

  14. Biomixing by chemotaxis and efficiency of biological reactions: the critical reaction case

    CERN Document Server

    Kiselev, Alexander

    2012-01-01

    Many phenomena in biology involve both reactions and chemotaxis. These processes can clearly influence each other, and chemotaxis can play an important role in sustaining and speeding up the reaction. In continuation of our earlier work, we consider a model with a single density function involving diffusion, advection, chemotaxis, and absorbing reaction. The model is motivated, in particular, by the studies of coral broadcast spawning, where experimental observations of the efficiency of fertilization rates significantly exceed the data obtained from numerical models that do not take chemotaxis (attraction of sperm gametes by a chemical secreted by egg gametes) into account. We consider the case of the weakly coupled quadratic reaction term, which is the most natural from the biological point of view and was left open. The result is that similarly to higher power coupling, the chemotaxis plays a crucial role in ensuring efficiency of reaction. However, mathematically, the picture is quite different in the qua...

  15. Cyclodextrin-promoted Diels Alder reactions of a polycyclic aromatic hydrocarbon under mild reaction conditions

    Science.gov (United States)

    Chaudhuri, Sauradip; Phelan, Tyler; Levine, Mindy

    2015-01-01

    Reported herein is the effect of cyclodextrins on the rates of aqueous Diels Alder reactions of 9-anthracenemethanol with a variety of N-substituted maleimides. These reactions occurred under mild reaction conditions (aqueous solvent, 40 °C), and were most efficient for the reaction of N-cyclohexylmaleimide with a methyl-β-cyclodextrin additive (94% conversion in 24 hours). These results can be explained on the basis of a model wherein the cyclodextrins bind the hydrophobic substituents on the maleimides and activate the dienophile via electronic modulation of the maleimide double bond. The results reported herein represent a new mechanism for cyclodextrin-promoted Diels Alder reactions, and have significant potential applications in the development of other cyclodextrin-promoted organic transformations. Moreover, the ability to deplanarize polycyclic aromatic hydrocarbons (PAHs) under mild conditions, as demonstrated herein, has significant applications for PAH detoxification. PMID:26692588

  16. Reaction chain modeling of denitrification reactions during a push-pull test

    Science.gov (United States)

    Boisson, A.; de Anna, P.; Bour, O.; Le Borgne, T.; Labasque, T.; Aquilina, L.

    2013-05-01

    Field quantitative estimation of reaction kinetics is required to enhance our understanding of biogeochemical reactions in aquifers. We extended the analytical solution developed by Haggerty et al. (1998) to model an entire 1st order reaction chain and estimate the kinetic parameters for each reaction step of the denitrification process. We then assessed the ability of this reaction chain to model biogeochemical reactions by comparing it with experimental results from a push-pull test in a fractured crystalline aquifer (Ploemeur, French Brittany). Nitrates were used as the reactive tracer, since denitrification involves the sequential reduction of nitrates to nitrogen gas through a chain reaction (NO3- → NO2- → NO → N2O → N2) under anaerobic conditions. The kinetics of nitrate consumption and by-product formation (NO2-, N2O) during autotrophic denitrification were quantified by using a reactive tracer (NO3-) and a non-reactive tracer (Br-). The formation of reaction by-products (NO2-, N2O, N2) has not been previously considered using a reaction chain approach. Comparison of Br- and NO3- breakthrough curves showed that 10% of the injected NO3- molar mass was transformed during the 12 h experiment (2% into NO2-, 1% into N2O and the rest into N2 and NO). Similar results, but with slower kinetics, were obtained from laboratory experiments in reactors. The good agreement between the model and the field data shows that the complete denitrification process can be efficiently modeled as a sequence of first order reactions. The 1st order kinetics coefficients obtained through modeling were as follows: k1 = 0.023 h- 1, k2 = 0.59 h- 1, k3 = 16 h- 1, and k4 = 5.5 h- 1. A next step will be to assess the variability of field reactivity using the methodology developed for modeling push-pull tracer tests.

  17. Statistical theory of neutron-nuclear reactions

    International Nuclear Information System (INIS)

    In addition to the topics dealt with by the author in his lectures at the Joint IAEA/ICTP Course held at Trieste in 1978, recent developments in the statistical theory of multistep reactions are reviewed as well as the transport theory and intranuclear cascade approaches to the description of nuclear multi-step processes. (author)

  18. Adverse reactions to food: allergies and intolerances.

    Science.gov (United States)

    Montalto, Massimo; Santoro, Luca; D'Onofrio, Ferruccio; Curigliano, Valentina; Gallo, Antonella; Visca, Dina; Cammarota, Giovanni; Gasbarrini, Antonio; Gasbarrini, Giovanni

    2008-01-01

    All the anomalous reactions secondary to food ingestion are defined as 'adverse reactions to food'. In 1995 the European Academy of Allergology and Clinical Immunology suggested a classification on the basis of the responsible pathogenetic mechanism; according to this classification, non-toxic reactions can be divided into 'food allergies' when they recognize immunological mechanisms, and 'food intolerances' when there are no immunological implications. The diagnostic approach to adverse reactions to food is based on accurate clinical history and objective examination, and further execution of specific tests when allergy or intolerance is suspected. The therapy for food allergies is the elimination of the food to which hypersensibility has been found; this strategy can lead, especially in pediatric age, to tolerance. If elimination diets cannot be completely performed, or if it is not possible to identify the food to eliminate, some drugs (e.g. antihistaminics, steroids, etc.) can be administered. Specific allergen immunotherapy has been recently introduced. Fundamental is food allergy prevention, especially in high-risk subjects. The therapeutic approach to secondary food intolerances is based principally on primitive disease resolution; on the other hand, some specific treatments (e.g. beta-galactosidases in lactose malabsorption) are available in case of primary intolerance. PMID:18431058

  19. Reaction-diffusion models of decontamination

    DEFF Research Database (Denmark)

    Hjorth, Poul G.

    A contaminant, which also contains a polymer is in the form of droplets on a solid surface. It is to be removed by the action of a decontaminant, which is applied in aqueous solution. The contaminant is only sparingly soluble in water, so the reaction mechanism is that it slowly dissolves...

  20. Hand Foot Skin Reaction Associated with Sunitinib

    Directory of Open Access Journals (Sweden)

    Bengü Çevirgen Cemil

    2015-06-01

    Full Text Available Sunitinib is a multi-targeted kinase inhibitor showing benefits in patients with renal cell carcinoma, and gastrointestinal stromal tumor. Sunitinib may cause various cutaneous toxicities. The most characteristic and common cutaneous toxicity is hand-foot skin reaction. Lesions are characterized by yellow painful callus like hyperkeratosis surrounded by a rim of erythema, they are well-demarcated and localized especially over pressure areas. A 54-year-old male patient with a history of renal cell carcinoma developed painful eruption twenty days after oral sunitinib had been started on 50 mg daily. Dermatological examination showed multiple, yellow, hyperkeratotic plaques with erythematous halos on palms, and soles. The patient was diagnosed as hand-foot skin reaction due to sunitinib due to descriptive clinical findings. Hand-foot skin reaction can greatly affect patients’ quality of life and treatment dosages. Early diagnosis and timely treatment of hand-foot skin reaction will be vital to ensure maximum potential of these drugs.

  1. Bordetella pertussis diagnosed by polymerase chain reaction

    DEFF Research Database (Denmark)

    Birkebaek, N H; Heron, I; Skjødt, K

    1994-01-01

    The object of this work was to test the polymerase chain reaction (PCR) for demonstration of Bordetella pertussis (BP) in nasopharyngeal secretions. The method was applied to patients with recently diagnosed pertussis, as verified by BP culture. In order to test the sensitivity and specificity...

  2. Maillard reaction products in pet foods

    NARCIS (Netherlands)

    Rooijen, van C.

    2015-01-01

    Pet dogs and cats around the world are commonly fed processed commercial foods throughout their lives. Often heat treatments are used during the processing of these foods to improve nutrient digestibility, shelf life, and food safety. Processing is known to induce the Maillard reaction, in which a r

  3. Markovian dynamics on complex reaction networks

    Energy Technology Data Exchange (ETDEWEB)

    Goutsias, J., E-mail: goutsias@jhu.edu; Jenkinson, G., E-mail: jenkinson@jhu.edu

    2013-08-10

    Complex networks, comprised of individual elements that interact with each other through reaction channels, are ubiquitous across many scientific and engineering disciplines. Examples include biochemical, pharmacokinetic, epidemiological, ecological, social, neural, and multi-agent networks. A common approach to modeling such networks is by a master equation that governs the dynamic evolution of the joint probability mass function of the underlying population process and naturally leads to Markovian dynamics for such process. Due however to the nonlinear nature of most reactions and the large size of the underlying state-spaces, computation and analysis of the resulting stochastic population dynamics is a difficult task. This review article provides a coherent and comprehensive coverage of recently developed approaches and methods to tackle this problem. After reviewing a general framework for modeling Markovian reaction networks and giving specific examples, the authors present numerical and computational techniques capable of evaluating or approximating the solution of the master equation, discuss a recently developed approach for studying the stationary behavior of Markovian reaction networks using a potential energy landscape perspective, and provide an introduction to the emerging theory of thermodynamic analysis of such networks. Three representative problems of opinion formation, transcription regulation, and neural network dynamics are used as illustrative examples.

  4. Biological reactions to temporary anchorage devices

    NARCIS (Netherlands)

    G. Wu; J. Guo; H. Hu; V. Everts

    2015-01-01

    This chapter reviews the current knowledge of the biological reactions to temporary anchorage devices (TADs) and the factors that affect a successful application of TADs. In addition to clinical investigations, finite element analysis (FEA) is also extensively used to analyze the factors on the mech

  5. Children's Understanding of Psychogenic Bodily Reactions.

    Science.gov (United States)

    Notaro, Paul C.; Gelman, Susan A.; Zimmerman, Marc A.

    2001-01-01

    Two studies compared how preschoolers through fifth graders and adults reasoned about psychogenic bodily reactions such as stress-induced headaches. Results supported a developmental path: younger children view psychogenic bodily responses as wholly physical, but with age, view them as both physical and psychological. (Author/KB)

  6. Classification of Chemical Reactions: Stages of Expertise

    Science.gov (United States)

    Stains, Marilyne; Talanquer, Vicente

    2008-01-01

    In this study we explore the strategies that undergraduate and graduate chemistry students use when engaged in classification tasks involving symbolic and microscopic (particulate) representations of different chemical reactions. We were specifically interested in characterizing the basic features to which students pay attention when classifying…

  7. The atomic and molecular reaction statics

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    This work presents a new science called atomic and molecular reaction statics (AMRS). There are four parts for AMRS, i.e. the group theoretical derivation of molecular electronic states, the principle of microscopic reversibility, the principle of microscopic transitivity and the optimum energy process rule. AMRS has been developed for about twenty years.

  8. Domino reactions: More than just a game

    Science.gov (United States)

    Broja, Thomas; Fuchs, Patrick J. W.; Zeitler, Kirsten

    2015-12-01

    Catalytic methods are among the most valuable tools for sustainable synthesis. Domino catalysis enables multiple reactions to be combined so that synthetic efficiency may begin to approach that of nature, but significant challenges remain before this promising approach can fulfil the needs of pharmaceutical and materials chemistry.

  9. Thiazole formation through a modified Gewald reaction

    Directory of Open Access Journals (Sweden)

    Carl J. Mallia

    2015-05-01

    Full Text Available The synthesis of thiazoles and thiophenes starting from nitriles, via a modified Gewald reaction has been studied for a number of different substrates. 1,4-Dithiane-2,5-diol was used as the aldehyde precursor to give either 2-substituted thiazoles or 2-substituted aminothiophenes depending on the substitution of the α-carbon to the cyano group.

  10. Interfacial reactions in Al/Ni multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, F.; Greer, A.L. [Cambridge Univ. (United Kingdom). Dept. of Metallurgy and Materials Science

    1998-08-01

    In thin-film multilayers, the reactions at the interfaces can proceed quite differently from those in bulk samples because of the short diffusion distances involved. In the present work Al/Ni multilayers have been made by DC magnetron sputtering. The initial Ni and Al layers have strong (111) texture. The reactions taking place have been studied in relation to the layer thickness and film structure (grain size and texture). Also multilayers have been made with alloy layers Al/Ni(Al). Typically, differential scanning calorimetry shows a sequence of reactions on heating. X-ray diffraction, including texture goniometry, has been used to identify the compounds produced. In common with earlier work, it is found that Al{sub 3}Ni is the first phase to form, but the present results differ from those reported previously in that the Al{sub 3}Ni{sub 2} phase is not formed in the course of phase evolution. The difference from the earlier results is attributed to the sharper texture in the films in the present work. Thus it is concluded that for Al/Ni multilayers, reaction sequences can be affected by crystallographic orientation, as well as other factors. (orig.) 13 refs.

  11. Solvation and Reaction in Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Maroncelli, Mark

    2015-01-15

    The long-range goal of our DOE-sponsored research is to obtain a fundamental understanding of solvation effects on photo-induced charge transfer and related processes. Much of the focus during the past funding period has been on studies of ionic liquids and on characterizing various reactions with which to probe the nature of this interesting new solvent medium.

  12. Electrochemical Promotion of Catalytic Reactions Using

    DEFF Research Database (Denmark)

    Petrushina, Irina; Bjerrum, Niels; Cleemann, Lars Nilausen;

    2007-01-01

    This paper presents the results of a study on electrochemical promotion (EP) of catalytic reactions using Pt/C/polybenzimidazole(H3PO4)/Pt/C fuel cell performed by the Energy and Materials Science Group (Technical University of Denmark) during the last 6 years[1-4]. The development of our...

  13. Riots and Reactions: Hypocrisy and Disaffiliation?

    Science.gov (United States)

    Hedge, Nicki; Mackenzie, Alison

    2015-01-01

    The August 2011 riots in England occasioned widespread condemnation from government and the media. Here, we apply the concepts of hypocrisy and affiliation to explore reactions to these riots. Initially acknowledging that politics necessitates a degree of hypocrisy, we note that some forms of hypocrisy are indefensible: they compromise integrity.…

  14. Severe allergic reactions to guinea pig

    Directory of Open Access Journals (Sweden)

    Shaw Jeffrey L

    2005-10-01

    Full Text Available Abstract Background Allergic sensitization and reactions to guinea pig (Cavia porcellus have been well documented in laboratory animal handlers, primarily manifesting as rhinitis, conjunctivitis, and asthma. Severe allergic reactions, however, are rare. Methods We report two patients with severe allergic reactions following non-occupational exposure to guinea pigs. The first patient, an 11-year-old female, developed ocular, nasal, skin and laryngeal edema symptoms immediately after handling a guinea pig. The second patient, a 24-year-old female, developed symptoms of isolated laryngeal edema after cleaning a guinea pig cage. Percutaneous skin testing, RAST, ELISA and ELISA inhibition testing with guinea pig extract were performed. Results Both patients had IgE-mediated allergy to guinea pig confirmed by ELISA and either RAST or skin testing. ELISA inhibition studies confirmed the specificity of the IgE reactivity to guinea pig. Conclusion Severe IgE-mediated reactions can occur following non-occupational guinea pig exposure. Physicians should be aware of this possibility.

  15. About Radiation Reaction with Force Approach

    CERN Document Server

    Velazquez, Gustavo Lopez

    2015-01-01

    The difficulty of usual approach to radiation reaction is pointed out , and a possible approach based on the force acting to the charged particle which produces the acceleration itself, is presented. This approach brings about an expression such that acceleration is zero whenever the external force is zero.

  16. Visualizing chemical reactions confined under graphene.

    Science.gov (United States)

    Mu, Rentao; Fu, Qiang; Jin, Li; Yu, Liang; Fang, Guangzong; Tan, Dali; Bao, Xinhe

    2012-05-14

    An undercover agent: graphene has been used as an imaging agent to visualize interfacial reactions under its cover, and exhibits a strong confinement effect on the chemistry of molecules underneath. In a CO atmosphere, CO penetrates into the graphene/Pt(111) interface and reacts with O(2) therein, whereas intercalated CO desorbs from the Pt surface. PMID:22492473

  17. The Reaction of Tanshinones with Amines

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The reaction of cryptotanshinone and tanshinone ⅡA with several biogenic aminemetabolites involved in the pathogenic pathways of HE were investigated and eight 1,2,3,4-tetrahydrophenanthrene derivatives, 2-6 and 8-10, were obtained. The probable mechanism onreaction was discussed.

  18. Chaos in the Belousov-Zhabotinsky reaction

    Science.gov (United States)

    Field, Richard J.

    The dynamics of reacting chemical systems is governed by typically polynomial differential equations that may contain nonlinear terms and/or embedded feedback loops. Thus the dynamics of such systems may exhibit features associated with nonlinear dynamical systems, including (among others): temporal oscillations, excitability, multistability, reaction-diffusion-driven formation of spatial patterns, and deterministic chaos. These behaviors are exhibited in the concentrations of intermediate chemical species. Bifurcations occur between particular dynamic behaviors as system parameters are varied. The governing differential equations of reacting chemical systems have as variables the concentrations of all chemical species involved, as well as controllable parameters, including temperature, the initial concentrations of all chemical species, and fixed reaction-rate constants. A discussion is presented of the kinetics of chemical reactions as well as some thermodynamic considerations important to the appearance of temporal oscillations and other nonlinear dynamic behaviors, e.g., deterministic chaos. The behavior, chemical details, and mechanism of the oscillatory Belousov-Zhabotinsky Reaction (BZR) are described. Furthermore, experimental and mathematical evidence is presented that the BZR does indeed exhibit deterministic chaos when run in a flow reactor. The origin of this chaos seems to be in toroidal dynamics in which flow-driven oscillations in the control species bromomalonic acid couple with the BZR limit cycle...

  19. Dynamics of fission and heavy ion reactions

    International Nuclear Information System (INIS)

    Recent advances in a unified macroscopic-microscopic description of large-amplitude collective nuclear motion such as occurs in fission and heavy ion reactions are discussed. With the goal of finding observable quantities that depend upon the magnitude and mechanism of nuclear dissipation, one-body dissipation and two-body viscosity within the framework of a generalized Fokker-Planck equation for the time dependence of the distribution function in phase space of collective coordinates and momenta are considered. Proceeding in two separate directions, the generalized Hamilton equations of motion for the first moments of the distribution function with a new shape parametrization and other technical innovations are first solved. This yields the mean translational fission-fragment kinetic energy and mass of a third fragment that sometimes forms between the two end fragments, as well as the energy required for fusion in symmetric heavy-ion reactions and the mass transfer and capture cross section in asymmetric heavy-ion reactions. In a second direction, we specialize to an inverted-oscillator fission barrier and use Kramers' stationary solution to calculate the mean time from the saddle point to scission for a heavy-ion-induced fission reaction for which experimental information is becoming available. 25 references

  20. MARS - a multidetector array for reaction studies

    International Nuclear Information System (INIS)

    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

  1. Determining Annealing Temperatures for Polymerase Chain Reaction

    Science.gov (United States)

    Porta, Angela R.; Enners, Edward

    2012-01-01

    The polymerase chain reaction (PCR) is a common technique used in high school and undergraduate science teaching. Students often do not fully comprehend the underlying principles of the technique and how optimization of the protocol affects the outcome and analysis. In this molecular biology laboratory, students learn the steps of PCR with an…

  2. Polymerase Chain Reaction for Educational Settings.

    Science.gov (United States)

    Garrison, Stephen J.; dePamphillis, Claude

    1994-01-01

    Suggests the incorporation of the Polymerase Chain Reaction (PCR) technique into high school and college biology laboratories. Discusses the following sections: (1) current PCR applications; (2) PCR technique; (3) Manual and Machine PCR; (4) Manual PCR Preparations and Procedure; (5) Materials, Supplies, and Recipes; (6) Primer Selection; and (7)…

  3. Adverse reactions to injectable soft tissue fillers

    DEFF Research Database (Denmark)

    Requena, Luis; Requena, Celia; Christensen, Lise;

    2011-01-01

    In recent years, injections with filler agents are often used for wrinkle-treatment and soft tissue augmentation by dermatologists and plastic surgeons. Unfortunately, the ideal filler has not yet been discovered and all of them may induce adverse reactions. Quickly biodegradable or resorbable...

  4. Lower extremity corrective reactions to slip events.

    Science.gov (United States)

    Cham, R; Redfern, M S

    2001-11-01

    A significant number of injuries in the workplace is attributed to slips and falls. Biomechanical responses to actual slip events determine whether the outcome of a slip will be recovery or a fall. The goal of this study was to examine lower extremity joint moments and postural adjustments for experimental evidence of corrective strategies evoked during slipping in an attempt to prevent falling. Sixteen subjects walked onto a possibly oily vinyl tile floor, while ground reaction forces and body motion were recorded at 350 Hz. The onset of corrective reactions by the body in an attempt to recover from slips became evident at about 25% of stance and continued until about 45% into stance, i.e. on average between 190 and 350 ms after heel contact. These reactions included increased flexion moment at the knee and extensor activity at the hip. The ankle, on the other hand, acted as a passive joint (no net moment) during fall trials. Joint kinematics showed increased knee flexion and forward rotation of the shank in an attempt to bring the foot back towards the body. Once again, the ankle kinematics appeared to play a less dominant role (compared to the knee) in recovery attempts. This study indicates that humans generate corrective reactions to slips that are different than previously reported responses to standing perturbations translating the supporting surface. PMID:11672718

  5. Reactions to Diversity Training: An International Comparison

    Science.gov (United States)

    Holladay, Courtney L.; Quinones, Miguel A.

    2005-01-01

    As the workplace becomes more diverse and global in nature, organizations are implementing diversity training to manage this trend. However, previous research has rarely explored empirically employees' perceptions toward diversity training in different cultures. The study presented here examined reactions to a diversity training program conducted…

  6. Observed Infant Reactions during Live Interparental Conflict

    Science.gov (United States)

    Du Rocher Schudlich, Tina D.; White, Clare R.; Fleischhauer, Emily A.; Fitzgerald, Kelly A.

    2011-01-01

    Associations between interparental conflict and infant reactions were examined. Infants' history of exposure to interparental conflict and infant reactive temperament were examined as moderators. A community sample of 74 infants, aged 6-14 months, participated with their parents. Behavioral observations were made of parents' marital conflict and…

  7. East German Teacher Reactions to Reunification.

    Science.gov (United States)

    Hildebrand, Robert F.

    1996-01-01

    Maintains that reunification allowed teacher unions of the former West Germany to move into the former East Germany, filling a structural void left by the dissolution of the Communist Party. Specifically examines the reactions of newly elected teacher union leaders from the former East Germany to subsequent events in the education and political…

  8. Kinetic modeling of reactions in Foods

    NARCIS (Netherlands)

    Boekel, van M.A.J.S.

    2008-01-01

    The level of quality that food maintains as it travels down the production-to-consumption path is largely determined by the chemical, biochemical, physical, and microbiological changes that take place during its processing and storage. Kinetic Modeling of Reactions in Foods demonstrates how to effec

  9. Combinatorics of reaction-network posets.

    Science.gov (United States)

    Klein, Douglas J; Ivanciuc, Teodora; Ryzhov, Anton; Ivanciuc, Ovidiu

    2008-11-01

    Reaction networks are viewed as derived from ordinary molecular structures related in reactant-product pairs so as to manifest a chemical super-structure. Such super-structures then are candidates for applications in a general combinatoric chemistry. Notable additional characterization of a reaction super-structure occurs when such reaction graphs are directed, as for example when there is progressive substitution (or addition) on a fixed molecular skeleton. Such a set of partially ordered entities is in mathematics termed a poset, which further manifests a number of special properties, as then might be utilized in different applications. Focus on the overall "super-structural" poset goes beyond ordinary molecular structure in attending to how a structure fits into a (reaction) network, and thereby brings an extra "dimension" to conventional stereochemical theory. The possibility that different molecular properties vary smoothly along chains of interconnections in such a super-structure is a natural assumption for a novel approach to molecular property and bioactivity correlations. Different manners to interpolate/extrapolate on a poset network yield quantitative super-structure/activity relationships (QSSARs), with some numerical fits, e.g., for properties of polychlorinated biphenyls (PCBs) seemingly being quite reasonable. There seems to be promise for combinatoric posetic ideas.

  10. Undesirable Reactions from Contact with Marine Organisms

    OpenAIRE

    Letot, Bernard; Kharfi, M.; Mandojana, R.; Pierard, Gérald

    2000-01-01

    The contact of some marine organisms with the skin may prove to be traumatic and sometimes very dangerous. Some coelenterates, fishes, urchins, sea snakes, cephalopods, molluscs and other sea organisms are responsible for dermatological lesions, associated or not with toxic or allergic reactions exhibiting systemic effects.

  11. Multistep processes in neutron-induced reactions

    International Nuclear Information System (INIS)

    The cross section of (n,n'), (n.p), (n,α), (n,2n) and other reactions of 10-20 MeV neutrons on a range of medium-weight and heavy nuclei have been calculated using the Weisskopf-Ewing and Feshbach-Kerman-Koonin theories. Detailed comparisons are made with the available experimental data

  12. Mean field interaction in biochemical reaction networks

    KAUST Repository

    Tembine, Hamidou

    2011-09-01

    In this paper we establish a relationship between chemical dynamics and mean field game dynamics. We show that chemical reaction networks can be studied using noisy mean field limits. We provide deterministic, noisy and switching mean field limits and illustrate them with numerical examples. © 2011 IEEE.

  13. Children's Reactions to Separation and Divorce.

    Science.gov (United States)

    Phillips, E. Lakin

    This paper presents three aspects of children's reaction to divorce: a brief theory as to why parents become separated and/or divorced; factual research summaries on the influence of divorce on children; and some proposed remedies. Research is cited that shows the effects of divorce on children's sex role development, self concept, emotional…

  14. Diffusion and Surface Reaction in Heterogeneous Catalysis

    Science.gov (United States)

    Baiker, A.; Richarz, W.

    1978-01-01

    Ethylene hydrogenation on a platinum catalyst, electrolytically applied to a tube wall, is a good system for the study of the interactions between diffusion and surface reaction in heterogeneous catalysis. Theoretical background, apparatus, procedure, and student performance of this experiment are discussed. (BB)

  15. Hydrogenation reactions in interstellar CO ice analogues

    CERN Document Server

    Fuchs, G W; Ioppolo, S; Romanzin, C; Bisschop, S E; Andersson, S; Van Dishoeck, E F; Linnartz, H

    2009-01-01

    Hydrogenation reactions of CO in inter- and circumstellar ices are regarded as an important starting point in the formation of more complex species. Previous laboratory measurements by two groups on the hydrogenation of CO ices resulted in controversial results on the formation rate of methanol. Our aim is to resolve this controversy by an independent investigation of the reaction scheme for a range of H-atom fluxes and different ice temperatures and thicknesses. Reaction rates are determined by using a state-of-the-art ultra high vacuum experimental setup to bombard an interstellar CO ice analog with room temperature H atoms. The reaction of CO + H into H2CO and subsequently CH3OH is monitored by a Fourier transform infrared spectrometer in a reflection absorption mode. In addition, after each completed measurement a temperature programmed desorption experiment is performed to identify the produced species. Different H-atom fluxes, morphologies, and ice thicknesses are tested. The formation of both formaldeh...

  16. Pozzolanic Reaction Kinetics of Coal Ashes

    Institute of Scientific and Technical Information of China (English)

    ZHENG Hongwei; WANG Zhijuan; QIAN Jueshi; SONG Yuanming; WANG Zhi

    2009-01-01

    The pozzolanic reactivity was determined by the hydration kinetics of pozzolanic reaction based on the fact that the hydration products of active SiO_2 and Al_2O_3 with lime were soluble in dilute hydrochloric acid.The results show that the pozzolanic reaction of active SiO_2 and Al2O3 of coal ashes follows apparent first-order kinetics.The reaction rate constant of FBC ashes is greater than that of PC ashes,while the activation energy of the former is lower than that of the latter.It is confirmed that the pozzolanic activity of fluidized bed combustion(FBC)ashes is significantly higher than that of PC ashes,and the reaction barrier of the former is lower than that of the latter,because the microstructures of FBC ashes,such as mineralogical composition,morphology and polymerization degree of [SiO_4]and[AlO_6]are more favorable to the pozzolanic activity development than those of PC ashes.

  17. LSM-YSZ Reactions in Different Atmospheres

    DEFF Research Database (Denmark)

    Chen, Ming; Liu, Yi-Lin; Hagen, Anke;

    2009-01-01

    The influences of the oxygen partial pressure and the LSM/YSZ ratio on the LSM-YSZ interface reactions at 1,000 °C were investigated. Both pellets and diffusion couples were employed in the study. The equilibrium thermodynamics of the LSM-YSZ reactions was clarified based on the pellet study......-powder reaction. LSM reacts differently with YSZ in different atmospheres. In air, m-ZrO2 (monoclinic) is formed; while in N2, SrZrO3 and/or La2Zr2O7 are formed depending on the initial LSM/YSZ ratio. The reactions are reversible with varying P(O2) i.e. treating the sample in air after the heat treatment in N2...... results in a decomposition of the formed La- and Sr-zirconates. The de-stabilisation of the LSM-YSZ interface under long-term annealing at 1,000 °C originates mainly from the inter-diffusion across the interface. Under reduced P(O2), the Mn diffusion from LSM into YSZ is enhanced. High P(O2) (0.21 atm...

  18. An updated nuclear reaction network for BBN

    OpenAIRE

    Serpico, P. D.

    2004-01-01

    The key Standard-Physics inputs of the Big Bang Nucleosynthesis (BBN) are the light nuclei reaction rates. Both the network and the nuclear rates have been recently reanalyzed and updated, and cosmological and New-Physics constraints (taking into account the WMAP Cosmic Microwave Background anisotropies measurement) obtained with a new code are presented.

  19. A Nuclear Reactions Primer with Computers.

    Science.gov (United States)

    Calle, Carlos I.; Roach, Jennifer A.

    1987-01-01

    Described is a microcomputer software program NUCLEAR REACTIONS designed for college level students and in use at Sweet Briar College (Sweet Briar, VA). The program is written in Microsoft Basic Version 2.1 for the Apple Macintosh Microcomputer. It introduces two conservation principles: (1) conservation of charge; and (2) conservation of nucleon…

  20. Metathetical Redox Reaction of (Diacetoxyiodoarenes and Iodoarenes

    Directory of Open Access Journals (Sweden)

    Antoine Jobin-Des Lauriers

    2015-12-01

    Full Text Available The oxidation of iodoarenes is central to the field of hypervalent iodine chemistry. It was found that the metathetical redox reaction between (diacetoxyiodoarenes and iodoarenes is possible in the presence of a catalytic amount of Lewis acid. This discovery opens a new strategy to access (diacetoxyiodoarenes. A computational study is provided to rationalize the results observed.

  1. Chemical computing with reaction-diffusion processes.

    Science.gov (United States)

    Gorecki, J; Gizynski, K; Guzowski, J; Gorecka, J N; Garstecki, P; Gruenert, G; Dittrich, P

    2015-07-28

    Chemical reactions are responsible for information processing in living organisms. It is believed that the basic features of biological computing activity are reflected by a reaction-diffusion medium. We illustrate the ideas of chemical information processing considering the Belousov-Zhabotinsky (BZ) reaction and its photosensitive variant. The computational universality of information processing is demonstrated. For different methods of information coding constructions of the simplest signal processing devices are described. The function performed by a particular device is determined by the geometrical structure of oscillatory (or of excitable) and non-excitable regions of the medium. In a living organism, the brain is created as a self-grown structure of interacting nonlinear elements and reaches its functionality as the result of learning. We discuss whether such a strategy can be adopted for generation of chemical information processing devices. Recent studies have shown that lipid-covered droplets containing solution of reagents of BZ reaction can be transported by a flowing oil. Therefore, structures of droplets can be spontaneously formed at specific non-equilibrium conditions, for example forced by flows in a microfluidic reactor. We describe how to introduce information to a droplet structure, track the information flow inside it and optimize medium evolution to achieve the maximum reliability. Applications of droplet structures for classification tasks are discussed. PMID:26078345

  2. Quantum dynamics of fast chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Light, J.C. [Univ. of Chicago, IL (United States)

    1993-12-01

    The aims of this research are to explore, develop, and apply theoretical methods for the evaluation of the dynamics of gas phase collision processes, primarily chemical reactions. The primary theoretical tools developed for this work have been quantum scattering theory, both in time dependent and time independent forms. Over the past several years, the authors have developed and applied methods for the direct quantum evaluation of thermal rate constants, applying these to the evaluation of the hydrogen isotopic exchange reactions, applied wave packet propagation techniques to the dissociation of Rydberg H{sub 3}, incorporated optical potentials into the evaluation of thermal rate constants, evaluated the use of optical potentials for state-to-state reaction probability evaluations, and, most recently, have developed quantum approaches for electronically non-adiabatic reactions which may be applied to simplify calculations of reactive, but electronically adiabatic systems. Evaluation of the thermal rate constants and the dissociation of H{sub 3} were reported last year, and have now been published.

  3. Reaction dynamics in polyatomic molecular systems

    Energy Technology Data Exchange (ETDEWEB)

    Miller, W.H. [Lawrence Berkeley Laboratory, CA (United States)

    1993-12-01

    The goal of this program is the development of theoretical methods and models for describing the dynamics of chemical reactions, with specific interest for application to polyatomic molecular systems of special interest and relevance. There is interest in developing the most rigorous possible theoretical approaches and also in more approximate treatments that are more readily applicable to complex systems.

  4. 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.

  5. Pechmann Reaction Promoted by Boron Trifluoride Dihydrate

    Directory of Open Access Journals (Sweden)

    J. Mezger

    2005-08-01

    Full Text Available The Pechmann reaction of substituted phenols 1a-e with methyl acetoacetate (2 can be activated by boron trifluoride dihydrate (3 to give the corresponding 4-methyl- coumarin derivatives 4a-e in excellent yield (98-99 %.

  6. B P Belousov and his reaction

    Indian Academy of Sciences (India)

    Alexander Pechenkin

    2009-09-01

    The generation to which Boris Pavlovich Belousov (1893–1976) belonged has almost disappeared. The archives hold only a few documents about his life and basically secret research. This article is a brief biography of Belousov and attempts to reconstruct what lay behind his famous discovery of the oscillatory homogeneous chemical reaction named after him.

  7. Reactions and Separations in Green Solvents

    NARCIS (Netherlands)

    Van Spronsen, J.

    2010-01-01

    Most chemical processes involve solvents in the reaction and the separation step. These solvents give rise to a heavy environmental and economical burden. Moreover, these solvents are based on non-sustainable resources like petroleum. The aim of this thesis has been to develop a number of alternativ

  8. Identifying systematic DFT errors in catalytic reactions

    DEFF Research Database (Denmark)

    Christensen, Rune; Hansen, Heine Anton; Vegge, Tejs

    2015-01-01

    Using CO2 reduction reactions as examples, we present a widely applicable method for identifying the main source of errors in density functional theory (DFT) calculations. The method has broad applications for error correction in DFT calculations in general, as it relies on the dependence...

  9. Serum tryptase levels in adverse drug reactions.

    Science.gov (United States)

    Ordoqui, E; Zubeldia, J M; Aranzábal, A; Rubio, M; Herrero, T; Tornero, P; Rodríguez, V M; Prieto, A; Baeza, M L

    1997-11-01

    We evaluated the usefulness of individual tryptase levels and variations after adverse drug reactions in 64 patients. Our aim was to find a tool for the diagnosis of drug allergy. Thirty-seven subjects were confirmed to have drug allergy, 12 had nonsteroidal anti-inflammatory drug (NSAID) reactions, five had negative controlled drug challenges (NAAR), and 10 had symptoms after placebo intake (PLA). Serum tryptase levels greatly increased after anaphylactic shocks (2242%) and anaphylaxis (710.5%). Patients with allergic urticaria and those with idiosyncratic responses to acetylsalicylic acid (ASA) exhibited a small increase in serum tryptase (49.5% and 38.2%, respectively). In the other two groups (NAAR and PLA), no variation in this serum protease was observed. The time of appearance of the serum tryptase peak differed considerably among patients with similar clinical reactions (from 30 min to 6 h) and was independent of the latent period, severity of symptoms, or the amount of tryptase released. We conclude that serum tryptase determinations are helpful in the diagnosis of anaphylactic shock and anaphylaxis, but serial measurements may be needed to confirm mast-cell participation in milder reactions.

  10. Chemical reactions in reverse micelle systems

    Science.gov (United States)

    Matson, Dean W.; Fulton, John L.; Smith, Richard D.; Consani, Keith A.

    1993-08-24

    This invention is directed to conducting chemical reactions in reverse micelle or microemulsion systems comprising a substantially discontinuous phase including a polar fluid, typically an aqueous fluid, and a microemulsion promoter, typically a surfactant, for facilitating the formation of reverse micelles in the system. The system further includes a substantially continuous phase including a non-polar or low-polarity fluid material which is a gas under standard temperature and pressure and has a critical density, and which is generally a water-insoluble fluid in a near critical or supercritical state. Thus, the microemulsion system is maintained at a pressure and temperature such that the density of the non-polar or low-polarity fluid exceeds the critical density thereof. The method of carrying out chemical reactions generally comprises forming a first reverse micelle system including an aqueous fluid including reverse micelles in a water-insoluble fluid in the supercritical state. Then, a first reactant is introduced into the first reverse micelle system, and a chemical reaction is carried out with the first reactant to form a reaction product. In general, the first reactant can be incorporated into, and the product formed in, the reverse micelles. A second reactant can also be incorporated in the first reverse micelle system which is capable of reacting with the first reactant to form a product.

  11. Thin film reactions on alloy semiconductor substrates

    Energy Technology Data Exchange (ETDEWEB)

    Olson, D.A.

    1990-11-01

    The interactions between Pt and In{sub .53}Ga{sub .47}As have been studied. In{sub .53}Ga{sub .47}As substrates with 70nm Pt films were encapsulated in SiO{sub 2}, and annealed up to 600{degree}C in flowing forming gas. The composition and morphology of the reaction product phases were studied using x-ray diffraction, Auger depth profiling, and transmission electron microscopy. The reaction kinetics were examined with Rutherford Backscattering. Results show that Pt/In{sub .53}Ga{sub .47}As reacts to form many of the reaction products encountered in the Pt/GaAs and Pt/InP reactions: PtGa, Pt{sub 3}Ga, and PtAs{sub 2}. In addition, a ternary phase, Pt(In:Ga){sub 2}, develops, which is a solid solution between PtIn{sub 2} and PtGa{sub 2}. The amount of Ga in the ternary phase increases with annealing temperature, which causes a decrease in the lattice parameter of the phase. The reaction products show a tendency to form layered structures, especially for higher temperatures and longer annealing times. Unlike the binary case, the PtAs{sub 2}, phase is randomly oriented on the substrate, and is intermingle with a significant amount of Pt(In:Ga){sub 2}. Following Pt/In{sub .53}Ga{sub .47}As reactions, two orientation relationships between the Pt(In:Ga){sub 2} product phase and the substrate were observed, despite the large mismatch with the substrate ({approximately}8%). For many metal/compound semiconductor interactions, the reaction rate is diffusion limited, i.e. exhibits a parabolic dependence on time. An additional result of this study was the development of an In-rich layer beneath the reacted layer. The Auger depth profile showed a substantial increase in the sample at this layer. This is a significant result for the production of ohmic contacts, as the Schottky barrier height in this system lower for higher In concentrations. 216 refs.

  12. Reaction dynamics and photochemistry of divalent systems

    Energy Technology Data Exchange (ETDEWEB)

    Davis, H.F.

    1992-05-01

    Results are presented of molecular beam studies of bimolecular and unimolecular reactions of Ba. Chapter 1 discusses the reaction Ba + NO{sub 2}. Formation of the dominant BaO({sup 1}{Sigma}) + NO products resulted primarily from decay of long-lived Ba{sup +}NO{sub 2}{sup {minus}} collision complexes. Secondary mechanisms led to formation of forward scattered, internally excited BaO, and BaNO + O. D{sub o}(Ba-NO) = 65{plus_minus}20 kcal/mol. Reactions of ground state and electronically excited Ba with water and alcohols are examined in Chapter 2. Reaction of Ba({sup 1}S) + H{sup 2}O led to BaO + H{sub 2}, whereas excited state Ba({sup 1}D) + H{sub 2}O reacted to form BaOH + H. Collisions between Ba and CH{sub 3}OH led to BaOCH{sub 3} + H. Radical channels involve H-atom migration and are promoted by excitation of the incident Ba atom. In Chapter 3, reactions of Ba({sup 1}S) with ClO{sub 2}2 and O{sub 3} are discussed. Again, direct and complex mechanisms were observed. Formation of BaCl + O{sub 2} from decomposition of Ba{sup +}ClO{sub 2}{sup {minus}} accounted for 10% of total reaction crass section. Although Ba + O{sub 3} {yields} BaO + 0{sub 2} occurs primarily by direct reaction mechanisms, the secondary channel Ba + 0{sub 3} {yields} BaO{sub 2} + 0 involved decay of long lived Ba{sup +}O{sub 3}{sup {minus}} intermediates. D{sub o}(Ba{minus}O{sub 2}) = 120 {plus_minus}20 kcal/mol. Photodissociation dynamics of NO{sub 3} is explored in chapter 4. Visible excitation leads to formation of NO + 0{sub 2} and NO{sub 2} + O. Wavelength dependence of branching ratios is investigated. D{sub o}(O-NO{sub 2}) = 48.55 kcal/mole ;and calculate {Delta}H{sub f}(NO{sub 3}) = 17.75 kcal/mole (298K). Chapter 5 discusses the photodissociation of OClO in a molecular beam. Although ClO({sup 2}II) + O({sup 3}P) is dominant, Cl({sup 2}P) + O{sub 2} also forms, with a max yield of 3.9{plus_minus}0.8% near 404nm.

  13. Strategies for innovation in multicomponent reaction design.

    Science.gov (United States)

    Ganem, Bruce

    2009-03-17

    By generating structural complexity in a single step from three or more reactants, multicomponent reactions (MCRs) make it possible to synthesize target compounds with greater efficiency and atom economy. The history of such reactions can be traced to the mid-19th century when Strecker first produced alpha-aminonitriles from the condensation of aldehydes with ammonia and hydrogen cyanide. Recently, academic chemists have renewed their interest in MCRs. In part, the pharmaceutical industry has fueled this resurgence because of the growing need to assemble libraries of structurally complex substances for evaluation as lead compounds in drug discovery and development programs. The application of MCRs to that increasingly important objective remains limited by the relatively small number of such reactions that can be broadly applied to prepare biologically relevant or natural-product-like molecular frameworks. We were interested in applying logic-based approaches, such as our single reactant replacement (SRR) approach, as a way both to improve known MCRs and to design new multiple-component routes to bioactive structures. This Account provides several examples that illustrate the use of SRR with known MCRs as starting points for synthetic innovation in this area. As part of our working hypothesis, we initially explored strategies for engineering improvements into known MCRs, either by increasing the dimensionality--that is, changing an n-component to an (n + 1)-component reaction--or broadening the scope of useful input structures, or both. By exhaustively applying retrosynthetic analysis to the cognate MCR to identify and exploit alternative entry points into the overall reaction manifold, we have devised several such re-engineered MCRs. Serendipitous findings have also augmented the yield of useful developments from our logic-inspired approach. In some cases, we have identified surprising links between different compound families that provide useful new entry points

  14. Hokkaido University Nuclear Reaction Data Centre (JCPRG)

    International Nuclear Information System (INIS)

    A research project to compile Charged-Particle Nuclear Reaction Data was initiated in 1974, which was approved by the Theoretical Nuclear Physics Society and the Experimental Nuclear Physics Society in Japan. When this project started, a mutual agreement with the JAERI Nuclear Data Centre was concluded; this Study Group would be responsible for Charged- Particle Nuclear Reaction Data while JAERI would be in charge of Nuclear Neutron Data. The original database (NRDF, Nuclear Reaction Data File) was devised by the Study Group under the sponsorship of the Japanese Ministry of Education, Science and Culture through the Grant-in-Aid for Scientific Research. With data storage and retrieval functions added to the original NRDF system, the project developed from the stage of research and development to the practical working stage of data compilation and data dissemination in 1987. Subsequently, the Study Group was reorganized to become the Japan Charged-Particle Nuclear Reaction Data Group (JCPRG) in NRDC, and was assigned an annual budget through the Nuclear Physics Laboratory, Department of Physics, Hokkaido University by the Ministry of Education, Science and Culture. This regular JCPRG budget ended in 2001, and was replaced by a yearly competitive process. The primary aims of JCPRG are to construct and provide an academic-oriented database according to an original and unique format by compiling and storing all charged-particle nuclear reaction data produced with Japanese accelerators. JCPRG is also responsible for transforming NRDF to EXFOR format, and sending these files to IAEA-NDS. On April 1, 2007, the Japan Charged-Particle Nuclear Reaction Data Group (JCPRG) was reorganized to the Hokkaido University Nuclear Reaction Data Centre (JCPRG) as a measure taken in the Faculty of Science, Hokkaido University. At the same time, the graduate school collaboration field ''Nuclear Data'' science with Japan Atomic Energy Agency (JAEA) was established in the Department of

  15. Feedback in Flow for Accelerated Reaction Development.

    Science.gov (United States)

    Reizman, Brandon J; Jensen, Klavs F

    2016-09-20

    The pharmaceutical industry is investing in continuous flow and high-throughput experimentation as tools for rapid process development accelerated scale-up. Coupled with automation, these technologies offer the potential for comprehensive reaction characterization and optimization, but with the cost of conducting exhaustive multifactor screens. Automated feedback in flow offers researchers an alternative strategy for efficient characterization of reactions based on the use of continuous technology to control chemical reaction conditions and optimize in lieu of screening. Optimization with feedback allows experiments to be conducted where the most information can be gained from the chemistry, enabling product yields to be maximized and kinetic models to be generated while the total number of experiments is minimized. This Account opens by reviewing select examples of feedback optimization in flow and applications to chemical research. Systems in the literature are classified into (i) deterministic "black box" optimization systems that do not model the reaction system and are therefore limited in the utility of results for scale-up, (ii) deterministic model-based optimization systems from which reaction kinetics and/or mechanisms can be automatically evaluated, and (iii) stochastic systems. Though diverse in application, flow feedback systems have predominantly focused upon the optimization of continuous variables, i.e., variables such as time, temperature, and concentration that can be ramped from one experiment to the next. Unfortunately, this implies that the screening of discrete variables such as catalyst, ligand, or solvent generally does not factor into automated flow optimization, resulting in incomplete process knowledge. Herein, we present a system and strategy developed for optimizing discrete and continuous variables of a chemical reaction simultaneously. The approach couples automated feedback with high-throughput reaction screening in droplet flow

  16. Feedback in Flow for Accelerated Reaction Development.

    Science.gov (United States)

    Reizman, Brandon J; Jensen, Klavs F

    2016-09-20

    The pharmaceutical industry is investing in continuous flow and high-throughput experimentation as tools for rapid process development accelerated scale-up. Coupled with automation, these technologies offer the potential for comprehensive reaction characterization and optimization, but with the cost of conducting exhaustive multifactor screens. Automated feedback in flow offers researchers an alternative strategy for efficient characterization of reactions based on the use of continuous technology to control chemical reaction conditions and optimize in lieu of screening. Optimization with feedback allows experiments to be conducted where the most information can be gained from the chemistry, enabling product yields to be maximized and kinetic models to be generated while the total number of experiments is minimized. This Account opens by reviewing select examples of feedback optimization in flow and applications to chemical research. Systems in the literature are classified into (i) deterministic "black box" optimization systems that do not model the reaction system and are therefore limited in the utility of results for scale-up, (ii) deterministic model-based optimization systems from which reaction kinetics and/or mechanisms can be automatically evaluated, and (iii) stochastic systems. Though diverse in application, flow feedback systems have predominantly focused upon the optimization of continuous variables, i.e., variables such as time, temperature, and concentration that can be ramped from one experiment to the next. Unfortunately, this implies that the screening of discrete variables such as catalyst, ligand, or solvent generally does not factor into automated flow optimization, resulting in incomplete process knowledge. Herein, we present a system and strategy developed for optimizing discrete and continuous variables of a chemical reaction simultaneously. The approach couples automated feedback with high-throughput reaction screening in droplet flow

  17. Attention and Reaction Time in Shotokan Athletes

    Directory of Open Access Journals (Sweden)

    António VencesBrito

    2012-07-01

    Full Text Available The aim of this study is to analyze the attention capacity and the reaction time in Portuguese karate Shotokan athletes. Participated 96 Shotokan athletes from the Portuguese Karate Association. We physically characterized the sample (weight, height, body mass index, and body fat mass percentage and evaluated Simple Reaction Time (TRS, Choice Reaction Time (TRE, Decision Time (TD and the Distributed Attention (AD. Data was analyzed according to athletes’ group age (15 to 19 yr, 20 to 35 yr and more than 35 yr, level of graduation (9th to 4th kyu, 3rd to 1st kyu, DAN and by gender (male and female. Male athletes present significant differences from female athletes in height, weight, years of practice and body fat mass. In relation to TRS all groups tend to a value near to 300 ms without significant differences among them, but the TRE and the TD are significantly higher in the Dan athletes and in the +35 yrs athletes than in the other groups. On the other hand the Dan and +35 yrs athletes tend to do less mistakes. Gender does not influence significantly the reaction time in the Shotokan karate athletes, but it seems that women tend to have smaller reaction times than men. Athletes with more years of practice and more graduation need more time to reply to the stimulus than the other athletes, but they tend to do fewer mistakes on their choices than other subjects. As for distributed attention, no significant differences were found in function of the athlete graduation, nor in function of gender. However, for distributed attention, we found statistical significant differences in function of the age, with the oldest athletes presenting lower levels of distributed attention. Our results seem to show that is necessary to do some modifications in the training process of Portuguese Shotokan karate athletes.

  18. Diffusion limited reactions in crystalline solids

    International Nuclear Information System (INIS)

    Diffusion limited reactions in crystal lattices are studied with diffusion and random walk theory. First the random walk on a crystal lattice is studied. These results are used in a formal study of diffusion limited reactions in which the following simplified traps are discussed: planes, cylinders, spheres, disks and rings. The traps are either present at the start of the process (annealing) or fed into the crystal at a constant rate (continuous production). For the study of trapping processes occurring in real crystals it was necessary to investigate the interaction of the reacting species on the atomic level. Using lattice relaxation calculations, several reactions were studied. These calculations result in a model for the potential energy of the crystal versus the separation of the reaction partners. This model is used in Monte Carlo simulations of the trapping process, which are made at a high trap density, since the extrapolation to the low density regime can be made using the formal part of this work. The following reactions were studied: the trapping of interstitial helium atoms by vacancies, self interstitial vacancy recombination, the trapping of vacancies by immobile, helium filled, vacancies and the capture of self interstitials and vacancies by dislocations. A part of these results is used in two models for the low temperature nucleation and growth of bubbles due to helium bombardment. The models described give the right bubble density versus helium dose, but differ widely in the fraction of helium present in the bubbles found. A mechanism of blistering based on a percolation effect is also discussed. (Auth.)

  19. A transition in the spatially integrated reaction rate of bimolecular reaction-diffusion systems

    Science.gov (United States)

    Arshadi, Masoud; Rajaram, Harihar

    2015-09-01

    Numerical simulations of diffusion with bimolecular reaction demonstrate a transition in the spatially integrated reaction rate—increasing with time initially, and transitioning to a decrease with time. In previous work, this reaction-diffusion problem has been analyzed as a Stefan problem involving a distinct moving boundary (reaction front), leading to predictions that front motion scales as √t, and correspondingly the spatially integrated reaction rate decreases as the square root of time 1/√t. We present a general nondimensionalization of the problem and a perturbation analysis to show that there is an early time regime where the spatially integrated reaction rate scales as √t rather than 1/√t. The duration of this early time regime (where the spatially integrated reaction rate is kinetically rather than diffusion controlled) is shown to depend on the kinetic rate parameters, diffusion coefficients, and initial concentrations of the two species. Numerical simulation results confirm the theoretical estimates of the transition time. We present illustrative calculations in the context of in situ chemical oxidation for remediation of fractured rock systems where contaminants are largely dissolved in the rock matrix. We consider different contaminants of concern (COCs), including TCE, PCE, MTBE, and RDX. While the early time regime is very short lived for TCE, it can persist over months to years for MTBE and RDX, due to slow oxidation kinetics.

  20. 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.

  1. Reaction Profiles and Molecular Dynamics Simulations of Cyanide Radical Reactions Relevant to Titan's Atmosphere

    Science.gov (United States)

    Trinidad Pérez-Rivera, Danilo; Romani, Paul N.; Lopez-Encarnacion, Juan Manuel

    2016-10-01

    Titan's atmosphere is arguably the atmosphere of greatest interest that we have an abundance of data for from both ground based and spacecraft observations. As we have learned more about Titan's atmospheric composition, the presence of pre-biotic molecules in its atmosphere has generated more and more fascination about the photochemical process and pathways it its atmosphere. Our computational laboratory has been extensively working throughout the past year characterizing nitrile synthesis reactions, making significant progress on the energetics and dynamics of the reactions of .CN with the hydrocarbons acetylene (C2H2), propylene (CH3CCH), and benzene (C6H6), developing a clear picture of the mechanistic aspects through which these three reactions proceed. Specifically, first principles calculations of the reaction profiles and molecular dynamics studies for gas-phase reactions of .CN and C2H2, .CN and CH3CCH, and .CN and C6H6 have been carried out. A very accurate determination of potential energy surfaces of these reactions will allow us to compute the reaction rates which are indispensable for photochemical modeling of Titan's atmosphere.The work at University of Puerto Rico at Cayey was supported by Puerto Rico NASA EPSCoR IDEAS-ER program (2015-2016) and DTPR was sponsored by the Puerto Rico NASA Space Grant Consortium Fellowship. *E-mail: juan.lopez15@upr.edu

  2. Planar-transverse amplitude-phase pattern in nonelastic reactions

    International Nuclear Information System (INIS)

    The first evidence is presented that the phase pattern of the planar-transverse optimal reaction amplitudes found previously for elastic-scattering strong-interaction reactions also holds for nonelastic reactions. The pattern is observed in the reaction p+p→d+π in the energy range between 300 and 800 MeV

  3. Planar-transverse amplitude-phase pattern in nonelastic reactions

    Science.gov (United States)

    Arash, Firooz; Moravcsik, Michael J.; Goldstein, Gary R.; Bugg, David V.

    1989-01-01

    The first evidence is presented that the phase pattern of the planar-transverse optimal reaction amplitudes found previously for elastic-scattering strong-interaction reactions also holds for nonelastic reactions. The pattern is observed in the reaction p+p-->d+π in the energy range between 300 and 800 MeV.

  4. Kinetics of ozone-phenol reaction in aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Joshi, M.G.; Shambaugh, R.L.

    1982-01-01

    The kinetics of the reaction of ozone and phenol in aqueous medium was studied. The reaction was first order with respect to both ozone and phenol. The rate constant was found to increase with increase in the pH of the reaction mixture. Four different catalysts were examined for their effect on the rate of reaction. 30 refs.

  5. Calculation of reaction energies and adiabatic temperatures for waste tank reactions

    Energy Technology Data Exchange (ETDEWEB)

    Burger, L.L.

    1995-10-01

    Continual concern has been expressed over potentially hazardous exothermic reactions that might occur in Hanford Site underground waste storage tanks. These tanks contain many different oxidizable compounds covering a wide range of concentrations. The chemical hazards are a function of several interrelated factors, including the amount of energy (heat) produced, how fast it is produced, and the thermal absorption and heat transfer properties of the system. The reaction path(s) will determine the amount of energy produced and kinetics will determine the rate that it is produced. The tanks also contain many inorganic compounds inert to oxidation. These compounds act as diluents and can inhibit exothermic reactions because of their heat capacity and thus, in contrast to the oxidizable compounds, provide mitigation of hazardous reactions. In this report the energy that may be released when various organic and inorganic compounds react is computed as a function of the reaction-mix composition and the temperature. The enthalpy, or integrated heat capacity, of these compounds and various reaction products is presented as a function of temperature; the enthalpy of a given mixture can then be equated to the energy release from various reactions to predict the maximum temperature which may be reached. This is estimated for several different compositions. Alternatively, the amounts of various diluents required to prevent the temperature from reaching a critical value can be estimated. Reactions taking different paths, forming different products such as N{sub 2}O in place of N{sub 2} are also considered, as are reactions where an excess of caustic is present. Oxidants other than nitrate and nitrite are considered briefly.

  6. The effect of outside conditions on anaerobic ammonia oxidation reaction

    Institute of Scientific and Technical Information of China (English)

    YANG Min; WANG Shu-bo

    2016-01-01

    Organic carbon, inorganic carbon, temperature, pH and ORP are all to have a certain influence on the anaerobic ammonia oxidation reaction. We can draw some conclusions on the optimum conditions of anaerobic ammonia oxidation reaction. The optimum temperature of the anaerobic ammonia oxidation reaction is 30-35℃. And the optimum pH of the anaerobic ammonia reaction is 7.5-8.3. The presence of organic matters can affect the anaerobic ammonia reaction, and different organic matters have different influence on it. The concentration of the inorganic carbon also exist great influence on the reaction. High inorganic carbon concentration also can inhibit anaerobic ammonia oxidation reaction.

  7. Study on Disproportionation Reaction of FCC Gasoline on Acid Catalyst

    Institute of Scientific and Technical Information of China (English)

    Xu Youhao; Wang Xieqing

    2004-01-01

    Based on the experimental data relating to the reaction of FCC gasoline on acid catalyst the analysis of product distribution, and composition of gasoline and diesel fractions have been analyzed. The occurrence of disproportionation reaction of FCC gasoline on acid catalyst and the network of disproportionation reaction have been identified. Study has also shown that different reaction temperatures can result in different pathways of disproportionation reactions on acid catalyst.

  8. Inhibition of zinc-dependent peptidases by Maillard reaction products

    OpenAIRE

    Missagia de Marco, Leticia

    2015-01-01

    The Maillard reaction is a network of different non-enzymatic reactions between carbonyl groups of reducing sugars and amino groups from amino acids, peptides, or proteins, which progresses in three major stages and originates a very heterogeneous mixture of reaction products. It is also known as non-enzymatic browning, due to the brown macromolecular pigments formed in the final stage of the reaction. The chemistry underlying the Maillard reaction is complex. It encloses not only one reactio...

  9. Late adverse reactions to intravascular iodine based contrast media

    DEFF Research Database (Denmark)

    Bellin, Marie-France; Stacul, Fulvio; Webb, Judith A W;

    2011-01-01

    of approximately 2%-4% after nonionic monomers. LAR are commoner by a factor of three to four after nonionic dimers. The commonest skin reactions are maculopapular rashes, erythema and skin swelling. These reactions are T cell-mediated immune reactions, and the diagnosis may be confirmed using skin tests (patch......-induced skin reactions. To reduce the risk of repeat reactions avoidance of the relevant CM and any cross-reacting agents identified by skin testing is recommended....

  10. How NO{sub 2} affects the reaction mechanism of the SCR reaction

    Energy Technology Data Exchange (ETDEWEB)

    Koebel, M.; Madia, G.; Raimondo, F.; Wokaun, A.

    2003-03-01

    The rate of the selective catalytic reduction (SCR) of NO with N-containing reducing agents may be considerably enhanced by converting part of the NO into NO{sub 2}. The reaction using an equimolar mixture of NO and NO{sub 2} is known as 'fast SCR reaction' and the rate enhancement is most pronounced at low temperatures (T<300{sup o}C). In the present work the possible role of NO{sub 2} on catalysts based on TiO{sub 2}-WO{sub 3}-V{sub 2}O{sub 5} was investigated by in-situ Raman spectroscopy. The experiments suggest that the V{sup +4} species formed during the reduction of NO with ammonia are reoxidized faster by NO{sub 2} than by oxygen, resulting in an increased reaction rate of the fast SCR reaction. (author)

  11. Transport—Reaction Process in the Reaction of Flue Gas Desulfurization

    Institute of Scientific and Technical Information of China (English)

    YanYan; DuuJongLee; 等

    2000-01-01

    A theoreticasl investigation was conducted to study the transport-reaction process in the spray-drying flue gas desulfurization.A transport-reaction model of single particle was proposed,which considered the water evaporation from the surface of droplet and the reaction at the same time.BHased on this model,the reaction rate and t6he absorbent utilization can be calculated.The most appropriate particle radius and the initial absorbent concentration can be deduced through comparing the wet lifetime with the residence time,the result shows in the case that the partial pressure of vapor in the bulk flue gas is 2000Pa,the optimum initial radius and absorent concentration are 210-310μm and 23% respectively.The model can supply the optimum parameters for semi-dry FGD system designed.

  12. Solar thermochemical reactions Ⅱ: Synthesis of 2-aminothiophenes via Gewald reaction induced by solar thermal energy

    Institute of Scientific and Technical Information of China (English)

    Ramadan Ahmed Mekheimer; Mohamed Abdallah Ameen; Kamal Usef Sadek

    2008-01-01

    Green conditions have been developed for the synthesis of substituted 2-aminothiopbenes employing multicomponent reactions of a ketone with active methylene nitrile and elemental sulphur induced by free solar thermal energy.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-10-15

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

  14. Light particle revelation on incomplete fusion reactions

    International Nuclear Information System (INIS)

    Incomplete fusion reactions have been studied through light particles emission in the reaction 116Sn + 16O at 125 MeV (ALICE facility in Orsay). We measured energy angular distributions and correlations between any two of these particles (α particles, protons, neutrons), while γ multiplicity measurements provide us fuller informations. From collected data, the following pictures can be drawn: - the only fast particles observed are α particles, while protons and neutrons seem to come only from statistical evaporation; - outgoing channels where two α particles are emitted cannot be solely explained by the sequential emission of 8Be → 2α: about half of the cross section proceeds from statistical evaporation of one α particle. Accordingly, 2αxn channels do not necessarily agree with high value of angular momentum in the entrance channel. From the study of experimental results in the yrast plane, we can assign a large width to the angular momentum distribution

  15. Curing Reaction Model of Epoxy Asphalt Binder

    Institute of Scientific and Technical Information of China (English)

    QIAN Zhendong; CHEN Leilei; WANG Yaqi; SHEN Jialin

    2012-01-01

    In order to understand the strength developing law of the epoxy asphalt mixture,a curing reaction model of the epoxy asphalt binder was proposed based upon the thermokinetic analysis.Given some assumptions,the model was developed by applying the Kissinger law as well as Arrhenius equation,and the differential scanning calorimetry was performed for estimating the model parameters.To monitor the strength development of the epoxy asphalt mixture,a strength test program was employed and then results were compared to those produced from the proposed model.The comparative evaluation shows that a good consistency exists between the outputs from test program and the proposed model,indicating that the proposed model can be used effectively for simulating the curing reaction process for the epoxy asphalt binder and predicting the strength development for the epoxy asphalt mixture.

  16. [Lipases in catalytic reactions of organic chemistry].

    Science.gov (United States)

    Bezborodov, A M; Zagustina, N A

    2014-01-01

    Aspects of enzymatic catalysis in lipase-catalyzed reactions of organic synthesis are discussed in the review. The data on modern methods of protein engineering and enzyme modification allowing a broader range of used substrates are briefly summarized. The application of lipase in the preparation of pharmaceuticals and agrochemicals containing no inactive enantiomers and in the synthesis of secondary alcohol enantiomers and optically active amides is demonstrated. The subject of lipase involvement in the C-C bond formation in the Michael reaction is discussed. Data on the enzymatic synthesis of construction materials--polyesters, siloxanes, etc.--are presented. Examples demonstrating the application of lipase enzymatic catalysis in industry are given. PMID:25707112

  17. Reaction between protein radicals and other biomolecules

    DEFF Research Database (Denmark)

    Østdal, Henrik; Davies, Michael Jonathan; Andersen, Henrik J

    2002-01-01

    The present study investigates the reactivity of bovine serum albumin (BSA) radicals towards different biomolecules (urate, linoleic acid, and a polypeptide, poly(Glu-Ala-Tyr)). The BSA radical was formed at room temperature through a direct protein-to-protein radical transfer from H(2)O(2......)-activated immobilized horseradish peroxidase (im-HRP). Subsequently, each of the three different biomolecules was separately added to the BSA radicals, after removal of im-HRP by centrifugation. Electron spin resonance (ESR) spectroscopy showed that all three biomolecules quenched the BSA radicals....... Subsequent analysis showed a decrease in the concentration of urate upon reaction with the BSA radical, while the BSA radical in the presence of poly(Glu-Ala-Tyr) resulted in increased formation of the characteristic protein oxidation product, dityrosine. Reaction between the BSA radical and a linoleic acid...

  18. Parity Violation in Neutron Capture Reactions

    CERN Document Server

    Hayes, A C; Zanini, Luca

    2001-01-01

    In the last decade, the scattering of polarized neutrons on compound nucleus resonances proved to be a powerful experimental technique for probing nuclear parity violation. Longitudinal analyzing powers in neutron transmission measurements on p-wave resonances in nuclei such as $^{139}$La and $^{232}$Th were found to be as large as 10%. Here we examine the possibilities of carrying out a parallel program to measure asymmetries in the $(n,\\gamma$) reaction on these same compound nuclear resonances. Symmetry-violating $(n,\\gamma$) studies can also show asymmetries as large as 10%, and have the advantage over transmission experiments of allowing parity-odd asymmetries in several different gamma-decay branches from the same resonance. Thus, studies of parity violation in the $(n,\\gamma)$ reaction using high efficiency germanium detectors at the Los Alamos Lujan facility, for example, could determine the parity-odd nucleon-nucleon matrix elements in complex nuclei with high accuracy. Additionally, simultaneous stu...

  19. Prebiotic Chemistry: Geochemical Context and Reaction Screening

    Directory of Open Access Journals (Sweden)

    Henderson James Cleaves

    2013-04-01

    Full Text Available The origin of life on Earth is widely believed to have required the reactions of organic compounds and their self- and/or environmental organization. What those compounds were remains open to debate, as do the environment in and process or processes by which they became organized. Prebiotic chemistry is the systematic organized study of these phenomena. It is difficult to study poorly defined phenomena, and research has focused on producing compounds and structures familiar to contemporary biochemistry, which may or may not have been crucial for the origin of life. Given our ignorance, it may be instructive to explore the extreme regions of known and future investigations of prebiotic chemistry, where reactions fail, that will relate them to or exclude them from plausible environments where they could occur. Come critical parameters which most deserve investigation are discussed.

  20. Two-temperature reaction and relaxation rates

    Science.gov (United States)

    Kolesnichenko, E.; Gorbachev, Yu.

    2016-09-01

    Within the method of solving the kinetic equations for gas mixtures with internal degrees of freedom developed by the authors and based on the approximate summational invariants (ASI) concept, gas-dynamic equations for a multi-temperature model for the spatially inhomogeneous case are derived. For the two-temperature case, the expressions for the non-equilibrium reaction and relaxation rates are obtained. Special attention is drawn to corresponding thermodynamic equations. Different possibilities of introducing the gas-dynamic variables related to the internal degrees of freedom are considered. One is based on the choice of quantum numbers as the ASI, while the other is based on the choice of internal (vibrational) energy as the ASI. Limits to a one-temperature situation are considered in all the cases. For the cutoff harmonic oscillator model, explicit expressions for the reaction and relaxation rates are derived.